smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](C(=O)NNC(=O)Cc1ccccc1F)S(C)(=O)=O 66785487 CNPXDKSLPZZDID-QMMMGPOBSA-N 302.327 -0.051 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)[C@H]1CCCCO1 295829586 YYWCEEKUJPNSCK-MRVPVSSYSA-N 310.310 -0.176 50 20 DBGD CC(C)C[C@](C)(NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584944622 DDNGLTFGEJTUNQ-AWEZNQCLSA-N 310.134 -0.475 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@]2(CCOC2)O1 584983778 OUVJHSWWGHNCIO-IAQYHMDHSA-N 305.139 -0.614 50 20 DBGD C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584991459 AVRUHJVEBCUJKD-QMTHXVAHSA-N 324.161 -0.967 50 20 DBGD O=C(Cn1cc(NCc2cccc(B(O)O)c2)cn1)NC1CC1 585033675 IZOKHCHYTCFBCK-UHFFFAOYSA-N 314.154 -0.546 50 20 DBGD CC(C)CCC(=O)NCC(=O)NNC(=O)N1CCOCC1 732063687 AMAFNQQJKCCUNE-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNC(=O)CCc1ccccc1)C(N)=O 746194636 VTPCAKYMOUEGFK-LBPRGKRZSA-N 320.349 -0.853 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)C2CCCC2)C1=O 748558499 WGMFQQCJUOQAHP-UHFFFAOYSA-N 322.321 -0.699 50 20 DBGD C[C@@H]1CC[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758045038 BEJMISFAUGEWTP-BBBLOLIVSA-N 305.400 -0.102 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN[C@H](CO)C2CC2)cc1 771809153 RRRNXTWPDNVELG-CYBMUJFWSA-N 302.334 -0.320 50 20 DBGD COC(=O)NNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 775708897 VMDUTRHQDSNIBR-SECBINFHSA-N 321.293 -0.170 50 20 DBGD CC(C)N(C)S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 777939693 QEFFPURYRNAWCI-UHFFFAOYSA-N 324.403 -0.283 50 20 DBGD CC1(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)COC1 782392738 GNVCACOUIZGKKO-UHFFFAOYSA-N 317.301 -0.101 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1O 816823121 ISNYSMVHKZTQFT-UHFFFAOYSA-N 305.290 -0.366 50 20 DBGD C=CCCn1cc(C(=O)NNC(=O)C(=O)NC(CC)CC)nn1 819310368 WLFJTIVEJSMTHZ-UHFFFAOYSA-N 322.369 -0.080 50 20 DBGD CCN(CCO)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 823869105 ANLLZEGSZSXKBL-LLVKDONJSA-N 307.416 -0.608 50 20 DBGD NC(=O)NC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 826392190 PXCYVXWPALJWTA-UHFFFAOYSA-N 302.298 -0.489 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccnc1F 832064430 PMJXWISVXBCCMW-LURJTMIESA-N 319.318 -0.689 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCNC2)cc1 841939697 USDKULDJWGHPJT-JTQLQIEISA-N 308.338 -0.234 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)Cc1ccccc1 843972280 DUPCTVUWVQCBNN-WCQYABFASA-N 319.361 -0.082 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CC(C)(C#N)C2)n1 846887051 KRHSFECHSFRGKJ-UHFFFAOYSA-N 307.379 -0.013 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ccnc(Cl)c1 855466155 GUPMAJZOAZZBII-UHFFFAOYSA-N 321.790 -0.084 50 20 DBGD C[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n1cncn1 855829669 QPLSDFROYFAQAE-SNVBAGLBSA-N 324.385 -0.071 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 856790857 CXNPPRGCGMSVKX-NXEZZACHSA-N 320.349 -0.234 50 20 DBGD Cn1cnn(CC(=O)NC[C@@]2(C)C[C@H]2Br)c1=O 857395136 QOWWOVCCTKLTIC-GMSGAONNSA-N 303.160 -0.129 50 20 DBGD CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 863869498 PGSZOJBMXZVZHC-ZDUSSCGKSA-N 320.154 -0.283 50 20 DBGD COC(=O)[C@H](CNC(=O)c1ccc(B(O)O)cc1)CC1CC1 863886595 FXDWFMXOBRICNV-LBPRGKRZSA-N 305.139 -0.315 50 20 DBGD COC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 864988051 UOYJDFCCILWHKA-ZDUSSCGKSA-N 305.139 -0.076 50 20 DBGD COC(=O)c1ccc(NNC(=O)Cn2cc([C@@H](C)O)nn2)nc1 1116389649 JRZVSODCFWSPPQ-MRVPVSSYSA-N 320.309 -0.344 50 20 DBGD Cn1nc2c(c1NC(=O)C(=O)NNC(=O)CC1CC1)CCC2 1116621039 QSPHDJDDCJEZKF-UHFFFAOYSA-N 305.338 -0.205 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@]2(F)CCOC2)C[C@@H](C)O1 1117332004 GVPIFULLDCFIDP-JTNHKYCSSA-N 317.361 -0.238 50 20 DBGD Cc1csc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1118202787 FMOOWCALYYUJDU-JGVFFNPUSA-N 312.351 -0.038 50 20 DBGD Cc1cc[nH]c1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1256452410 LFMNLBSNIYIAQI-QMMMGPOBSA-N 300.340 -0.546 50 20 DBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cnnn2C)cc1 1261212980 UEPDYOFYOHESKF-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD Cc1cc(COCC(=O)NNC(=O)N2CCN(C)CC2)no1 1262623626 JBZMBKZDQHLXRN-UHFFFAOYSA-N 311.342 -0.512 50 20 DBGD COCCNC(=O)NNC(=O)c1nnc(O)c2ccccc12 1317922833 XPIBZXIFFPDUTD-UHFFFAOYSA-N 305.294 -0.074 50 20 DBGD O=C(CC[C@@H]1CCCO1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319301405 GSSJWDGDNYXYRM-UWVGGRQHSA-N 304.368 -0.472 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)cc2c1CCC2 1323038163 DCOKJZSCXSAKGH-UHFFFAOYSA-N 323.374 -0.006 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1 1328905997 PQBWRVKANGHXCW-GFCCVEGCSA-N 305.338 -0.425 50 20 DBGD Cn1cnc(C(=O)OCC(=O)NNC(=O)c2ccccc2)n1 1330013447 PIYVOPHFMPBAKQ-UHFFFAOYSA-N 303.278 -0.567 50 20 DBGD CCOC(=O)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 1335409187 UKZNTXLUEMQHHJ-GFCCVEGCSA-N 309.102 -0.423 50 20 DBGD CC(C)(C)OC(=O)CCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1336670450 XLKDRBOKJCYMLL-VIFPVBQESA-N 313.354 -0.076 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1C 1549321676 USPUGPPTEGRFEL-AAEUAGOBSA-N 320.397 -0.201 50 20 DBGD CNCCOCCNC(=O)NN=c1cc[nH]c2cccnc12 1578712448 RXWIWPHNMFVCBC-UHFFFAOYSA-N 304.354 -0.086 50 20 DBGD COc1ccc([C@@H](CC(=O)NNC(=O)CCN)NC(C)=O)cc1 1579195285 UJTRSYRYTHPJEQ-CYBMUJFWSA-N 322.365 -0.241 50 20 DBGD NCCn1cc(C(=O)NNC(=O)COc2ccc(F)cc2)nn1 1580320202 RLXZFVSRALBSPI-UHFFFAOYSA-N 322.300 -0.784 50 20 DBGD C[C@@H](C[S@@](C)=O)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1589888432 LVAGIKRNBVRWEO-LWHSBAFCSA-N 324.370 -0.345 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 1599747215 KETOXHYFMQLGOJ-JGVFFNPUSA-N 306.340 -0.931 50 20 DBGD Cc1coc(CC(=O)O)c1C(=O)NNC(=O)C(=O)N1CCCC1 1600641457 DFAZZYOGACNHGM-UHFFFAOYSA-N 323.305 -0.401 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cccc(F)c1C(=O)O 1610147691 SRZRFHOKEAZRKS-UHFFFAOYSA-N 305.287 -0.484 50 20 DBGD Cc1nn(CC(=O)NNC(=O)C(=O)NC2CC2)c(C)c1Cl 57438208 KPYKTAFSACAAEZ-UHFFFAOYSA-N 313.745 -0.421 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C#Cc1ccc2c(c1)OCO2 268510971 WPIBZPHCABTDAY-UHFFFAOYSA-N 317.301 -0.561 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)o1 272644717 MASRZNYGFUBYQS-KWQFWETISA-N 309.322 -0.375 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCNC(N)=O 273168452 DMLGBKDFYBVGBL-ZETCQYMHSA-N 317.346 -0.895 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)OC[C@@H]2C1 493941530 LNWNQAHWDNGGCV-MNOVXSKESA-N 312.370 -0.295 50 20 DBGD CNC(=O)NNC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 495746889 OCSBPRAILPGNGW-SECBINFHSA-N 316.358 -0.027 50 20 DBGD C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(B(O)O)c(F)c1 584949723 IXJMITDYRQYAJS-YGRLFVJLSA-N 308.162 -0.082 50 20 DBGD CCS[C@H]1CC[C@@]1(O)CNC(=O)c1cccc(B(O)O)c1 584956700 GNUFNQTYYTVFIR-GXTWGEPZSA-N 309.196 -0.257 50 20 DBGD CCO[C@H]1C[C@@](CO)(NC(=O)c2cccc(B(O)O)c2)C1(C)C 584979293 POPXKHDTGWJDAD-BBRMVZONSA-N 321.182 -0.338 50 20 DBGD CCNC(=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CCC1 584981437 WDCGILZEXYPLHY-UHFFFAOYSA-N 322.145 -0.458 50 20 DBGD CN1CCO[C@@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@H]21 584987888 WXXCNJQZIQQCCH-ZIAGYGMSSA-N 322.145 -0.949 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](N2CCOCC2)C1 584995293 LBGNLGKDCOEQMA-OAHLLOKOSA-N 318.182 -0.697 50 20 DBGD CC1CCN(C[C@@H](O)CNCc2ccccc2B(O)O)CC1 585021046 FGJABROMSOAVJT-HNNXBMFYSA-N 306.215 -0.451 50 20 DBGD OB(O)c1ccc(CNC2CCN([C@H]3CCCC[C@H]3O)CC2)o1 585031732 XZNMSPGRVLSUQA-LSDHHAIUSA-N 322.214 -0.183 50 20 DBGD O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCB(O)O 585057814 LENCQPJRNWPBPJ-UHFFFAOYSA-N 301.067 -0.729 50 20 DBGD COc1cc(OC)cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585057947 OXWQLEMNGNFELY-VIFPVBQESA-N 315.156 -0.059 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 725907170 RTPBPRXFQROSRW-UHFFFAOYSA-N 320.758 -0.049 50 20 DBGD O=C(CCC1CCCC1)NCC(=O)NNC(=O)C(=O)NC1CC1 726524090 POANVFPWGREQKF-UHFFFAOYSA-N 324.381 -0.501 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)CCNC(=O)O)c1 738106949 QYOFYJYEYWXCRZ-UHFFFAOYSA-N 310.310 -0.088 50 20 DBGD C[C@H]1CN(c2ccc(C(=O)NNC(=O)CO)cn2)C[C@H](C)O1 753442693 MDFLPPOXCRGSRD-UWVGGRQHSA-N 308.338 -0.552 50 20 DBGD COC1(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 790491889 LSOMXSWJCSMQNT-VIFPVBQESA-N 319.383 -0.537 50 20 DBGD CN(C)N(C(=O)CNCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 792848951 HXNQHSPAFYLETO-MRVPVSSYSA-N 317.333 -0.369 50 20 DBGD CC(C)Oc1ncccc1C(=O)NNC(=O)C(=O)NC1CC1 806317785 MZPITLJTBUGQGQ-UHFFFAOYSA-N 306.322 -0.092 50 20 DBGD CCc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccn1C 809973241 VOOAYRWGSKOFOU-VIFPVBQESA-N 313.379 -0.217 50 20 DBGD CCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 820837755 MVWWJQOGQSMJGM-UHFFFAOYSA-N 318.293 -0.419 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc2c1nnn2C 843652552 BIYKCMNPJKHKHI-HTQZYQBOSA-N 304.310 -0.451 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCc2nnnn2CC1 846231910 PDQHVHNAFZCNQI-VHSXEESVSA-N 308.342 -0.658 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(N2CCOC2=O)CC1 852722242 SZWZJAVBUNGMAY-SNVBAGLBSA-N 312.370 -0.151 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)[C@@H]3CCCCO3)nn2c1 854683897 WJDNRUGGDQZEGS-VIFPVBQESA-N 304.310 -0.237 50 20 DBGD C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 857855535 ZXSDQYNOQDGVDV-MWLCHTKSSA-N 319.365 -0.155 50 20 DBGD CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858329877 GRTJWXRWVTYXMT-IUCAKERBSA-N 314.342 -0.815 50 20 DBGD CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858701648 YFAKGWNKQXJJQZ-OUAUKWLOSA-N 312.370 -0.057 50 20 DBGD C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CS(C)(=O)=O 863460878 NWFSCDSFQWLXHY-ZJUUUORDSA-N 322.383 -0.847 50 20 DBGD C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cc(B(O)O)ccc1F 912004118 RLANQCMGIIBATF-UTLUCORTSA-N 322.145 -0.415 50 20 DBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)N1CCSCC1 913731777 VSVUOIOMLNMZMZ-SNVBAGLBSA-N 314.411 -0.807 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)CC(F)(F)F 918367475 VBGIRDVLNXGWBI-UHFFFAOYSA-N 317.289 -0.488 50 20 DBGD Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 1116697975 DAPUSYPUJFRQFL-UHFFFAOYSA-N 318.333 -0.332 50 20 DBGD COCC(=O)NCCC(=O)NNCC(F)(F)C(F)(F)F 1118948843 HDYQTDDCJVHCMQ-UHFFFAOYSA-N 307.219 -0.043 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1CCN(C2CC2)CC1 1251402465 ULKDINHVCBQMRJ-UHFFFAOYSA-N 323.397 -0.434 50 20 DBGD COc1ncc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cn1 1251850531 MPLQICPMBITRTI-SNVBAGLBSA-N 314.367 -0.409 50 20 DBGD O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 1261829930 FPIKJYHNKMIJRO-WDEREUQCSA-N 317.301 -0.286 50 20 DBGD CCOC(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 1319169862 CQHOMYGHMKPDBD-UHFFFAOYSA-N 305.312 -0.280 50 20 DBGD CSCCNC(=S)NNC(=O)C(=O)c1cnn(C)c1 1319841657 QMVMHKYYAPVHJC-UHFFFAOYSA-N 301.397 -0.539 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1c2c(nn1C)CCC2 1321152570 VABCKRJTKCESJB-UHFFFAOYSA-N 309.326 -0.969 50 20 DBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)C3CC3)c2C1 1321884079 OOTFKPOCPSTCLT-SNVBAGLBSA-N 319.365 -0.247 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNc1nccn(C)c1=O 1322289060 ZWZHBFXURWMGPO-UHFFFAOYSA-N 302.356 -0.706 50 20 DBGD CC(=O)N1CCC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 1323770606 NFANVQGCRQMGMD-VIFPVBQESA-N 306.326 -0.723 50 20 DBGD CS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1328731848 SMRMUNHOUZVFMQ-VIFPVBQESA-N 315.355 -0.727 50 20 DBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329645401 XVGOIWRCJZENJL-XCBNKYQSSA-N 307.354 -0.434 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NNc2cccc(Cl)n2)N1 1329754192 LHASZFAUYLASCL-LURJTMIESA-N 312.717 -0.329 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1cncc(C#N)c1 1330027873 BMJJJMGZKPTTCL-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD O=C(NNc1cccnn1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 1338498122 GIOIOFOOLWIJRT-NWDGAFQWSA-N 314.305 -0.110 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 1343351454 QZVQKDJWBKFWCE-UHFFFAOYSA-N 319.321 -0.188 50 20 DBGD C[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(F)F 1343895656 NVPMYYATORFLRA-BQBZGAKWSA-N 313.326 -0.205 50 20 DBGD Cc1noc(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1349151793 CBWXPUAZJPERSM-IONNQARKSA-N 310.310 -0.198 50 20 DBGD CC(=O)NNC(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 1589150084 JRUIHYZUKAKYEP-UHFFFAOYSA-N 315.307 -0.039 50 20 DBGD CC[C@@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(=O)O 1589538246 FXHAWJOXDQDMPJ-GZMMTYOYSA-N 307.372 -0.522 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCO[C@H]2C(=O)O)c1 1600511777 ALJFHVFMOSWIHP-WCQYABFASA-N 321.333 -0.412 50 20 DBGD CNC(=O)NNC(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1 1604886421 WKLNRICPBIDGER-UHFFFAOYSA-N 301.310 -0.142 50 20 DBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNc1ccc(F)cn1 1608329864 IEDZMBHVVOPRBR-SECBINFHSA-N 310.285 -0.013 50 20 DBGD O=C(O)c1c(F)cccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1608828362 AWADFXWUPHLYSH-ZETCQYMHSA-N 317.103 -0.239 50 20 DBGD C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1800454956 UIWRRTSFHGHQTA-NOHGZBONSA-N 314.769 -0.537 50 20 DBGD CC1(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)COC1 1841130016 VASKIUDWWXSYGV-SNVBAGLBSA-N 316.785 -0.174 50 20 DBGD CC[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347748 CZHNPEOMQFRLIM-VHSXEESVSA-N 304.774 -0.440 50 20 DBGD O=C(c1ncccn1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349970 ZYKGUVRWYOVDRY-SNVBAGLBSA-N 324.768 -0.107 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cc(F)c(F)c(F)c1 126324362 OIDYMEKCJOEEKC-UHFFFAOYSA-N 318.255 -0.249 50 20 DBGD CCCCNC(=O)NNC(=O)CCC(=O)N1CCOCC1 138603704 NZCCULMERSHWEX-UHFFFAOYSA-N 300.359 -0.244 50 20 DBGD CCN(CC)C(=O)CCC(=O)NNC(=O)C(=O)N1CCCC1 267988666 ZXXDCEVBFUTCRP-UHFFFAOYSA-N 312.370 -0.595 50 20 DBGD O=C(CC(=O)NNC(=O)c1ccccn1)NCC(F)(F)F 272327507 CSJBUYPAPAWYSY-UHFFFAOYSA-N 304.228 -0.089 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)CCc2ccccc2O)c1=O 272648257 DXASUGXNOYLMNU-UHFFFAOYSA-N 319.321 -0.932 50 20 DBGD CC1(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)COC1 272795296 DBZJUSHZJOYKLM-UHFFFAOYSA-N 319.365 -0.123 50 20 DBGD C=CCC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC1 276866820 XJNJJAWBHCIZRD-SECBINFHSA-N 303.384 -0.182 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)CN1CCOCC1 281236035 NGRQDJIKADQMOQ-UHFFFAOYSA-N 311.313 -0.316 50 20 DBGD Cc1nc(C(=O)NNC(=O)N2CCN(C)CC2)ccc1C#N 282948988 QIKBFGDKQXITGT-UHFFFAOYSA-N 302.338 -0.137 50 20 DBGD COCCOc1cncc(C(=O)NNC(=O)N2CCOCC2)c1 283382285 RRNZDTYIKNERKS-UHFFFAOYSA-N 324.337 -0.207 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 291971540 PYKNXQNZXPCEDK-JTQLQIEISA-N 312.370 -0.503 50 20 DBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)C1CC1 299221130 KKAFBKFRQNMQIU-SSDOTTSWSA-N 317.392 -0.028 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 363355363 IZDKKXXLOAIQRK-UHFFFAOYSA-N 313.335 -0.088 50 20 DBGD CNC(=O)NNC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 495746890 OCSBPRAILPGNGW-VIFPVBQESA-N 316.358 -0.027 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](N2CCCC2=O)C1 584946262 QINGIEFXZDYOKK-AWEZNQCLSA-N 316.166 -0.407 50 20 DBGD COCCN1CCC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584999346 AFVTYXNHFAXHNA-LBPRGKRZSA-N 324.161 -0.654 50 20 DBGD CCN1CCN(C[C@H](C)CNCc2ccc(B(O)O)cc2)CC1 585022648 UXMOAZNAOMAPPC-OAHLLOKOSA-N 319.258 -0.270 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cn1 748453786 NJPDIPCMFPLUNN-UHFFFAOYSA-N 305.338 -0.157 50 20 DBGD N=C1NC(=O)[C@@H](CC(=O)NNc2cc(Cl)nc(N)n2)S1 773864073 SZXRYOQPRHTCFY-GSVOUGTGSA-N 315.746 -0.288 50 20 DBGD COC[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](C)O1 784368408 IQUKNFCACQSHJU-WDEREUQCSA-N 301.387 -0.084 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCc1nnn(C)n1 787445008 QTFBEQZDPIFWJK-UHFFFAOYSA-N 305.298 -0.637 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2(O)CCOCC2)cc1 801105223 BRTMOHAXYYREPW-UHFFFAOYSA-N 321.333 -0.378 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)cc1 801110015 LHGAPDDDTLGWJA-SNVBAGLBSA-N 318.333 -0.393 50 20 DBGD Cc1cnc(COCC(=O)NNC(=O)N2CCN(C)CC2)o1 807382271 DYANRGOAPOCPLG-UHFFFAOYSA-N 311.342 -0.512 50 20 DBGD CN(C)c1c(C=NNC(=O)C(C)(C)C)c(=O)n(C)c(=O)n1C 807964177 ZHMPBLRENJZXLF-UHFFFAOYSA-N 309.370 -0.354 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)CC1(C(=O)OC)CCC1 812507039 IVHIIPXIDUVGAE-UHFFFAOYSA-N 307.372 -0.175 50 20 DBGD C=C[C@H](O)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 816805717 GUWGBTHURCUGOV-NSHDSACASA-N 316.317 -0.276 50 20 DBGD O=C(O)CCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 819442927 AHYFHVVYXWPZCW-UHFFFAOYSA-N 309.282 -0.785 50 20 DBGD CN(C)CC(=O)NNC(=O)Cc1ccc(-n2cnnc2)cc1 819876152 QRFCRBHCSKONFU-UHFFFAOYSA-N 302.338 -0.481 50 20 DBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)c2cc[nH]n2)n1 820729643 CHZQZUXTZHMWNU-UHFFFAOYSA-N 320.313 -0.839 50 20 DBGD CC(C)(C)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1O 822253332 WYCMAOVZKUZPBH-UHFFFAOYSA-N 315.351 -0.153 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCn2cnnc2[C@H]1C 827276281 ZLKLGXBHHDHDEZ-KXUCPTDWSA-N 308.342 -0.180 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CN2CCCC2=O)C1 852680408 UTMIDHAVUKMPRR-NWDGAFQWSA-N 310.398 -0.123 50 20 DBGD CN(C)C(=O)[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1 852712226 IHTGPVDWGQCIMT-VIFPVBQESA-N 323.328 -0.015 50 20 DBGD COC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(B(O)O)cc1 863865373 DASKBTKUWPHSHD-ZDUSSCGKSA-N 323.154 -0.551 50 20 DBGD COCCOCC(=O)NNC(=O)c1cnn(C)c1-n1cccc1 869911595 AGWCUUAZLVMDMM-UHFFFAOYSA-N 321.337 -0.365 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)NN(C)C[C@@H](C)O)c1 910184242 YKOBQGBQELWLNY-SECBINFHSA-N 301.368 -0.448 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCCn1ccccc1=O 1116080239 WMOMPWIBQXILEC-UHFFFAOYSA-N 308.338 -0.700 50 20 DBGD O=C1OCc2c1cccc2S(=O)(=O)N1CC[C@@H](B(O)O)C1 1118916817 WQWIWCMEKHKOMZ-MRVPVSSYSA-N 311.124 -0.406 50 20 DBGD C=CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OCC 1118967700 KHGVHDJEARTVLG-GFCCVEGCSA-N 309.102 -0.257 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 1318641237 HHUVSFHJLFIXIG-NSHDSACASA-N 310.358 -0.915 50 20 DBGD C[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1318737664 VINLOQRDMHLGNY-NTSWFWBYSA-N 317.289 -0.298 50 20 DBGD Cn1nncc1C=NNC(=O)c1cccc(S(C)(=O)=O)c1 1318976725 AQHPEGTUPYLBID-UHFFFAOYSA-N 307.335 -0.018 50 20 DBGD CCn1nc(NC(=O)C(=O)NNC(=O)C(=O)OC)cc1C1CC1 1320902213 YJBFGRQVGWZRKR-UHFFFAOYSA-N 323.309 -0.961 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(C)=O)c(F)cc1F 1325505117 BJHWELVOQIOQKB-UHFFFAOYSA-N 315.232 -0.143 50 20 DBGD CCNC(=O)N(C)NC(=O)C1(S(C)(=O)=O)CCOCC1 1327852423 DMFATVHZVXRXJO-UHFFFAOYSA-N 307.372 -0.727 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1331834902 TWBRFFVTMCCLAW-SNVBAGLBSA-N 308.319 -0.854 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2CCc3ncncc3C2)c1=O 1349469223 IBYWZSWKLQFHAJ-VIFPVBQESA-N 300.322 -0.182 50 20 DBGD C[C@]1(CNC(=O)C(=O)NCCCON)C[C@@H]1Br 1353160453 UKUODPLGWLGKBW-OIBJUYFYSA-N 308.176 -0.327 50 20 DBGD CS(=O)(=O)CC[C@@H](N)C(=O)NN=c1cc[nH]c2cccnc12 1574057655 ULPIZYOQEZJINS-SECBINFHSA-N 323.378 -0.743 50 20 DBGD COCC[C@@H](N)C(=O)NNC(=O)CNc1ccccc1OC 1578997274 AGBBIRLQPIXLAE-SNVBAGLBSA-N 310.354 -0.382 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1590335974 GXMWYDPEKDMDMJ-XPUUQOCRSA-N 305.298 -0.619 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)n2C)n[nH]1 1591930364 SAWJCIHHPCPYLQ-UHFFFAOYSA-N 315.297 -0.688 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccncc1C(=O)O 1594712716 ZYSHVDDAMJBDNI-ZETCQYMHSA-N 309.278 -0.118 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CC[C@H]1C(=O)O 1599227243 SBMYNQKPBVDKQJ-DTWKUNHWSA-N 303.384 -0.029 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cn1)NNc1cnccn1 1606557973 JFLWZFYCRRCOGG-UHFFFAOYSA-N 312.297 -0.393 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cc(C(=O)O)nn1C 1776022791 MLALUXLOPYHCCS-JTQLQIEISA-N 323.353 -0.463 50 20 DBGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN)C2 1802274461 ZCILMTAYLVYFFM-VLEAKVRGSA-N 303.790 -0.163 50 20 DBGD CC1(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)COC1 1841130009 VASKIUDWWXSYGV-JTQLQIEISA-N 316.785 -0.174 50 20 DBGD CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1845164504 INWQXDHGBCDSOD-UWVGGRQHSA-N 302.806 -0.507 50 20 DBGD CCNC(=O)NNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 139165467 XTQMVPIIRWOYFD-UHFFFAOYSA-N 324.362 -0.177 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)Cn1ccc(=O)[nH]c1=O 154168577 UQDSUTMYWFQXFY-UHFFFAOYSA-N 316.317 -0.683 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)Cn2ncn(C)c2=O)c1 271345601 KJSUHFWHELLXBZ-UHFFFAOYSA-N 319.321 -0.883 50 20 DBGD COc1ccccc1C(=O)NCC(=O)NNC(=O)CN(C)C 274677111 VLJAYUCUYGKIRZ-UHFFFAOYSA-N 308.338 -0.866 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 286536930 YMJHMKUPDBDZRQ-UHFFFAOYSA-N 305.312 -0.127 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NN(C)C(N)=O)cc1 291444481 MPQVPVJCGKTTCA-UHFFFAOYSA-N 300.340 -0.685 50 20 DBGD C[C@H]1c2nncn2CCN1C(=O)c1ccc(B(O)O)c(F)c1 584980455 ACWHBVOWAXOGNZ-QMMMGPOBSA-N 304.090 -0.686 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNCc2cccc(B(O)O)c2)O1 585034537 MDEXCEIMPCVRSV-KBPBESRZSA-N 306.171 -0.908 50 20 DBGD CCCC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 585072592 OYVVNIPOQGHDPF-UWVGGRQHSA-N 300.189 -0.237 50 20 DBGD Cn1ccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1 737614002 VJYCKAYUOXHXTR-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD NC(=O)[C@@H](NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)cc1 737735353 CJLDSIOUGXATID-JTQLQIEISA-N 301.310 -0.576 50 20 DBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)N1CCOCC1 745987651 CSRBNOHKCURXCB-SECBINFHSA-N 300.359 -0.390 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1cnn(C)c1 748636692 USZNEYLIXLRPOX-VHSXEESVSA-N 313.358 -0.137 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)N=c2nc[nH]n2C)cc1 757762260 RMCUSPUUVNELIB-UHFFFAOYSA-N 304.310 -0.223 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)CCc1ccccc1 758959919 PSGXDACEMWOUJP-UHFFFAOYSA-N 313.379 -0.294 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1OC 764429494 SMWXOAXRYWTKNC-UHFFFAOYSA-N 311.294 -0.828 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2nc3nccc(C)n3n2)n[nH]1 765586457 WDJVTRZORNQJRR-UHFFFAOYSA-N 300.282 -0.461 50 20 DBGD O=C(NNC(=O)c1cnc(O)c([N+](=O)[O-])c1)C(=O)N1CCCC1 770321120 KPQBPXMUYFHPII-UHFFFAOYSA-N 323.265 -0.921 50 20 DBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 771937949 HMCNYYDQBXXHFW-UWVGGRQHSA-N 319.427 -0.265 50 20 DBGD O=C(NNS(=O)(=O)CCOCC1CC1)[C@@H]1CCCCO1 818054834 UIFZBAPUPNASGD-NSHDSACASA-N 306.384 -0.067 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)CO)cc(-c2nn[nH]n2)n1C 822029070 VABXIMATTPOSIW-UMWYPWBCSA-N 315.337 -0.082 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 822175880 AZWWGOBIFZOSNG-UHFFFAOYSA-N 301.270 -0.699 50 20 DBGD CNC(=O)CCCN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 827280281 AZGQAAXTRPUZMI-UWVGGRQHSA-N 300.359 -0.390 50 20 DBGD CCS(=O)(=O)CCN(C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 827284400 WESJCTNAIITREH-UWVGGRQHSA-N 321.399 -0.481 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1nc2ccccn2c1=O 843640078 AZGVIFPTNYJDIS-ZJUUUORDSA-N 319.321 -0.932 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 843970003 AUIZNHJZQCUNJG-HTRCEHHLSA-N 309.282 -0.242 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 847421032 JORCAUJUSJJQAX-YUMQZZPRSA-N 324.362 -0.863 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CNc1ccc(OC)cc1 856791500 OMUWCWMYEVPRQS-LBPRGKRZSA-N 311.338 -0.084 50 20 DBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)c2cn[nH]c2)cn1 860703723 AZZQZVFZWYLKAG-UHFFFAOYSA-N 320.313 -0.839 50 20 DBGD CSCCNC(=S)NNC(=O)/C=C/CN1CCOCC1 867162782 UEXIQBANUBWRAC-NSCUHMNNSA-N 318.468 -0.267 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C 871595884 WZBSPSYBBMBYEG-MRVPVSSYSA-N 300.359 -0.791 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccccc2)[C@H](CO)C1 879002713 LYTPGZANXJQIGS-ZDUSSCGKSA-N 306.366 -0.944 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cn2c(n1)CCCC2 913733117 WDBAGNUFVRSBFH-UHFFFAOYSA-N 305.338 -0.397 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCN1C 1318838438 QJHUGDNUWSLNJV-WZRBSPASSA-N 318.443 -0.150 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1ccncc1)N1CCN(C)CC1 1318891987 WFMNQCCNIRSISR-GFCCVEGCSA-N 305.382 -0.593 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 1320510214 KMBMCCKAJKRKIG-LURJTMIESA-N 306.278 -0.488 50 20 DBGD Cc1nc(N2CCOCC2)ccc1NC(=O)NNC(=O)CCO 1321215500 SHYDBCKOVMQXLW-UHFFFAOYSA-N 323.353 -0.238 50 20 DBGD CC(C)(C(=O)NNc1nncc(N)c1Cl)S(C)(=O)=O 1322656378 SXGIASXZJRRCSH-UHFFFAOYSA-N 307.763 -0.022 50 20 DBGD COc1ccncc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326832922 QJMNPXDZSLWWKT-BDAKNGLRSA-N 322.321 -0.399 50 20 DBGD CC(C)[C@H](N)C(=O)NCCC(=O)NNC(=O)c1ccccc1 1575441669 HYQBGHYSXPPTSF-ZDUSSCGKSA-N 306.366 -0.063 50 20 DBGD CCOC(=O)[C@@H](N)C(=O)NNC(=O)c1cccc(N(C)C)c1 1577921950 QZSCBLQATCCBTP-NSHDSACASA-N 308.338 -0.596 50 20 DBGD COCC[C@H](N)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 1578997303 BIDIOEXGFHBHEA-JTQLQIEISA-N 311.338 -0.171 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN[C@H]([C@@H]2CCCO2)C1)c1ncccn1 1580736174 NBNHRZSEZLGLIA-WOPDTQHZSA-N 319.365 -0.215 50 20 DBGD C=CCCc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)O 1588814708 MVJXYPXGBFPJAZ-UHFFFAOYSA-N 305.290 -0.024 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 1588869757 CQIJLXQDYNUVEK-UHFFFAOYSA-N 323.700 -0.374 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)O 1589057066 XBBYROYXNYRYAP-KWQFWETISA-N 323.305 -0.123 50 20 DBGD CCNC(=O)N(C)NC(=O)Nc1ccc(-c2nn[nH]n2)cn1 1590742136 CLRZSAAKKUIXTQ-UHFFFAOYSA-N 305.302 -0.041 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@@H]1CC(=O)O 1591111566 PXSJXPAREXCLSV-MNOVXSKESA-N 315.370 -0.256 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1591764998 JKRLUKMFVQQHMM-ORZBULNSSA-N 302.308 -0.859 50 20 DBGD C[C@H]1CN(C(C)(C)CNC(=O)NNC(=O)C(=O)O)C[C@@H](C)O1 1609867499 MSMGXGYPBFORPV-DTORHVGOSA-N 316.358 -0.711 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1F)S(C)(=O)=O 46125355 VCEGRNGRDBILIP-UHFFFAOYSA-N 303.315 -0.522 50 20 DBGD COC[C@H](CNC(=O)NNC(=O)Cn1nc(C)cc1C)OC 272763295 GCPFNVUQYOBCCC-NSHDSACASA-N 313.358 -0.508 50 20 DBGD COCCN(C)NC(=O)c1cc(S(N)(=O)=O)ccc1OC 288130728 ASNSBJAFHBZTOM-UHFFFAOYSA-N 317.367 -0.434 50 20 DBGD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CBr)C1 374697689 HFCATHHPGCBXQI-ZCFIWIBFSA-N 321.218 -0.708 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2 494124772 RDBGRGXJXBOUFE-ZETCQYMHSA-N 309.278 -0.079 50 20 DBGD CC(C)(C)N1C[C@H](NC(=O)c2cccc(B(O)O)c2)CC1=O 584956294 ZYULOAOBOXEADZ-GFCCVEGCSA-N 304.155 -0.504 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H](c2ncon2)C1 584972760 GTLJNAWBOCQMOP-LLVKDONJSA-N 321.073 -0.898 50 20 DBGD C[C@H](CCN1CCN(C)CC1)NCc1ccccc1B(O)O 585036273 GZGSQRKQWDVXCC-CQSZACIVSA-N 305.231 -0.518 50 20 DBGD O=S(=O)(c1cccc2nsnc12)N1CC[C@@H](B(O)O)C1 585055622 CGSOZYIACWMUNP-SSDOTTSWSA-N 313.169 -0.071 50 20 DBGD CC(C)n1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 732711646 FRLFMOIPATYVDT-SECBINFHSA-N 301.372 -0.148 50 20 DBGD O=C(NNS(=O)(=O)c1cnc[nH]1)c1ccc2c(c1)OCCO2 733876369 MIHMWTBWFXWWOH-UHFFFAOYSA-N 324.318 -0.196 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1=COCC1 738136935 QECUMMLDHAXBKP-UHFFFAOYSA-N 300.278 -0.068 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2CCNC(=O)C2)c1 754453313 UXMHUBXBHRPIDK-SNVBAGLBSA-N 320.349 -0.219 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cscn1 763824471 LGDMSOPPMJVQCX-UHFFFAOYSA-N 305.319 -0.271 50 20 DBGD O=C(CO)NNC(=O)[C@H](c1ccccc1)N1CCSCC1 777781267 KQAVENILNKKSRW-ZDUSSCGKSA-N 309.391 -0.084 50 20 DBGD O=C(NNc1nc2ccccn2n1)N[C@@H]1CCCS(=O)(=O)C1 790450281 JGCVROBMOSQMKM-SECBINFHSA-N 324.366 -0.067 50 20 DBGD CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1 795159474 XSHHBJMAZIAKEA-NSHDSACASA-N 320.798 -0.147 50 20 DBGD C[C@H](O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802067858 OQARTPDKLNJVES-ZETCQYMHSA-N 301.324 -0.376 50 20 DBGD CO[C@H](C)CN(C)C(=O)NNC(=O)CNC(=O)c1ccco1 805043862 UZECWJGYVDCTCO-SECBINFHSA-N 312.326 -0.283 50 20 DBGD N#Cc1ncn(CCNC(=O)NNc2nc3ccccn3n2)n1 807512940 CFPWCBPRVHHRJU-UHFFFAOYSA-N 312.297 -0.481 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)n1C 815646623 NQQSPZJSYDDZHI-UHFFFAOYSA-N 305.294 -0.380 50 20 DBGD C[C@@H](C(=O)NNC(=O)NC1CC1)n1cnc2c(N)ncnc21 823768446 VMZMTKHRCVMTMV-LURJTMIESA-N 304.314 -0.538 50 20 DBGD C[C@H](CO)N(C)NC(=O)CNc1ccc(S(C)(=O)=O)cc1 823913497 VQKWXHQNZNZLMO-SNVBAGLBSA-N 315.395 -0.154 50 20 DBGD O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cnn[nH]1 826445884 PHMWFPGSCVOEIA-UHFFFAOYSA-N 306.677 -0.210 50 20 DBGD CC(=NNC(=O)NCC(=O)O)c1cccc(S(N)(=O)=O)c1 833384478 JSRRRJDUNBTLSF-UHFFFAOYSA-N 314.323 -0.558 50 20 DBGD O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)[C@H]1CCC(=O)N1 862449759 SSAFYTBWZYLFNL-SNVBAGLBSA-N 319.317 -0.574 50 20 DBGD C[C@H](NC(=S)NNC(=O)c1ccc(B(O)O)cc1)C1CC1 863887096 TYNFUGBVEINVPI-QMMMGPOBSA-N 307.184 -0.726 50 20 DBGD CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccccc1B(O)O 863891612 VMZOTDIXKQKWHR-OAHLLOKOSA-N 309.171 -0.451 50 20 DBGD CCOC(=O)CCN(C(=O)c1ccc(B(O)O)cc1)C1CC1 865017629 WRFZZAVSWXIURZ-UHFFFAOYSA-N 305.139 -0.076 50 20 DBGD COCCOCC(=O)NNC(=O)c1cccc2c1OCCO2 869909193 MIABLQTYSGHILB-UHFFFAOYSA-N 310.306 -0.118 50 20 DBGD CC(C)c1ocnc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1116023603 JQBPNCQHSWMQJK-QMMMGPOBSA-N 315.351 -0.006 50 20 DBGD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884282 DEWHRRVHDXJHRK-XVKPBYJWSA-N 307.354 -0.054 50 20 DBGD Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1118910193 PJPLLYCGYUPOAF-QMMMGPOBSA-N 324.362 -0.788 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1CN(C)CCO1 1119290584 WFGDWWFFUSVOTD-ZYHUDNBSSA-N 314.386 -0.538 50 20 DBGD Cc1cc(Cl)ncc1NC(=O)C(=O)NNC(=O)CCO 1254905098 KORFZOKFCAQPBM-UHFFFAOYSA-N 300.702 -0.488 50 20 DBGD CC(=O)NCC(=O)NNC(=O)c1cncn1-c1ccccc1 1317709804 GABPDRVNRDTGEK-UHFFFAOYSA-N 301.306 -0.231 50 20 DBGD O=C(CCN1CCOCC1)NNC(=S)NC1CCOCC1 1318214079 SILYAIRUBVEXIX-UHFFFAOYSA-N 316.427 -0.617 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)Cc2ccncc2)CC1 1322269329 FJHWHDUOINFPOC-UHFFFAOYSA-N 319.409 -0.201 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNc2ncncc2F)cn1 1324304420 FYRMACXLRLQDGF-UHFFFAOYSA-N 312.286 -0.585 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1326832132 FMRDOABTHPZBBR-VXNVDRBHSA-N 310.285 -0.268 50 20 DBGD Cc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)n(C)n1 1326837677 ZKAOSNGQJMSHBK-UHFFFAOYSA-N 308.342 -0.819 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1328701038 AEBHGJQNTWJDKA-UWVGGRQHSA-N 316.427 -0.225 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc2c(cn1)OCCC2 1329127038 MMXUEFCOZAHAEI-UHFFFAOYSA-N 313.335 -0.788 50 20 DBGD O=C1CSC[C@@H](C(=O)NNC(=S)Nc2ccccn2)N1 1335300120 VSVFEJFERJQGFA-ZETCQYMHSA-N 311.392 -0.369 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1C 1337973588 DPZQTADJRFUMNI-UHFFFAOYSA-N 311.342 -0.550 50 20 DBGD Cc1nn(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-] 1346070003 YANNNYZAOIXSKX-JGVFFNPUSA-N 311.298 -0.177 50 20 DBGD CC(C)(C)OC(=O)CCCC(=O)NNC(=O)CS(C)(=O)=O 1351667083 ORYGEOXGLCZBPS-UHFFFAOYSA-N 322.383 -0.310 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)cn1 1605481109 KVRSUQBWIKPCAY-SCZZXKLOSA-N 310.310 -0.549 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)C2CCC2)cc1C(=O)O 264754345 MNDDKJAEONKFNA-UHFFFAOYSA-N 301.324 -0.167 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NCCN1C(=O)CNC1=O 265110171 WOUARHQXLJNBHE-UHFFFAOYSA-N 301.303 -0.723 50 20 DBGD CCOc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 274057676 KSIPGQCZNGWDPI-UHFFFAOYSA-N 308.338 -0.267 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN(C)C(=O)OC 276493435 BCIKNOYCCWRAEO-UHFFFAOYSA-N 305.331 -0.379 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cc1 276668071 ULODHHMWGQOEHU-RYUDHWBXSA-N 321.333 -0.446 50 20 DBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 285576412 KAFZATVOAGJRLK-BDAKNGLRSA-N 323.305 -0.644 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C(=O)OC)cn1 286558449 ZQSBGGBQOZWEAC-UHFFFAOYSA-N 302.312 -0.667 50 20 DBGD CC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 298187906 BKOMNHFLVAFMOL-UHFFFAOYSA-N 303.315 -0.143 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 299455588 BCJUUVYRZLWXFJ-LLVKDONJSA-N 324.381 -0.453 50 20 DBGD Cn1cc(CCCCNC(=O)c2cc(B(O)O)ccc2F)cn1 584942288 GALBHHYWWNEGCS-UHFFFAOYSA-N 319.145 -0.008 50 20 DBGD CN(CCN1CCOC(C)(C)C1)C(=O)c1cccc(B(O)O)c1 584983189 NDNFCXSNWLKWJJ-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(B(O)O)c1 584989627 RJQMQZPOPYZKPK-TZMCWYRMSA-N 318.182 -0.211 50 20 DBGD COCC1(C#N)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584992378 CFGSQORCAHXFEA-UHFFFAOYSA-N 320.129 -0.102 50 20 DBGD CCCN1C[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1=O 584999097 CZXVQBAGIRLRSP-SNVBAGLBSA-N 322.145 -0.506 50 20 DBGD CSc1cccc(N2C[C@H](C(=O)NCB(O)O)CC2=O)c1 585058779 PQYOSFACUSWDRS-SECBINFHSA-N 308.168 -0.110 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2nc[nH]c2c1 732308085 UCZLQDQQBBXEIZ-VIFPVBQESA-N 322.346 -0.241 50 20 DBGD CCOC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)N(C)C 745833850 HCCBICFYCBJRIN-UHFFFAOYSA-N 305.316 -0.949 50 20 DBGD CCCNC(=O)CCNC(=O)NNC(=O)Cc1ccncc1 747496390 XASWXSOTSZVODR-UHFFFAOYSA-N 307.354 -0.129 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@]1(C)CCCO1 756078183 KTWMOZIXDRWLFV-ZWNOBZJWSA-N 303.359 -0.063 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2ncccc2c1 764295231 KYHWIKIMAWBYIQ-UHFFFAOYSA-N 302.290 -0.033 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1cc(Cl)nc(C)n1 764370150 DDROHAMURZQRIX-UHFFFAOYSA-N 307.763 -0.179 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(O)c(F)c1 767295148 YGNUYHHUJQPIIU-MRVPVSSYSA-N 316.310 -0.273 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNc2ncccn2)C1 802420642 DGIXLSKCDPMNIZ-UHFFFAOYSA-N 300.344 -0.817 50 20 DBGD CSCCNC(=S)NNC(=O)C[C@H]1CCC(=O)N1C 831575587 PJFGPSKXOMIROK-MRVPVSSYSA-N 304.441 -0.144 50 20 DBGD COCCO[C@H](C)C(=O)NN=C(C)c1cn(CC(=O)O)nn1 831757031 GKZKWTBBYKKQPR-SECBINFHSA-N 313.314 -0.746 50 20 DBGD N#Cc1cccc([C@@H](NNC(=O)[C@@H]2COCCO2)C(=O)O)c1 833075888 OBELDMLBUZGXFR-NWDGAFQWSA-N 305.290 -0.280 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 843649934 YWSFFGKNTDFFPV-WPRPVWTQSA-N 311.298 -0.246 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)COc1ccc(C#N)cc1 854193044 MMCJZOZUOCIURW-LBPRGKRZSA-N 307.306 -0.254 50 20 DBGD CN1CCC[C@H](CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858535009 MIJQRIIHJNFXKF-GHMZBOCLSA-N 311.386 -0.673 50 20 DBGD COCCOc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862451619 FLFWCUJWEMDGTC-LBPRGKRZSA-N 321.333 -0.249 50 20 DBGD COC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)nn1C 863399848 VHQCWRYFGFEWMV-UHFFFAOYSA-N 302.234 -0.012 50 20 DBGD CCCN1CCC[C@@H](C(=O)NNC(=O)COCCOC)C1 913433156 DDLMRQRWHOZSJS-GFCCVEGCSA-N 301.387 -0.081 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2cnccn12 1318871317 RYNNFPBOEBIRAM-QMMMGPOBSA-N 310.339 -0.883 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1319407918 FEBNRMOMFMHLJP-QMMMGPOBSA-N 304.328 -0.216 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCO[C@H](C2CC2)C1 1320546745 VHYUBENFIZTGJF-QWRGUYRKSA-N 310.354 -0.447 50 20 DBGD CN(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(N)=O 1320843657 UVMQOMMKBIBUBT-JTQLQIEISA-N 301.306 -0.047 50 20 DBGD CN(C)N(C(=O)CCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1321299328 SMWIWDGQHOJQFM-SNVBAGLBSA-N 301.372 -0.840 50 20 DBGD CC(=O)N1CCC[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 1323770605 NFANVQGCRQMGMD-SECBINFHSA-N 306.326 -0.723 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)C(C)(C)C 1325436019 YXVQBBAOJLBEED-UHFFFAOYSA-N 308.338 -0.174 50 20 DBGD CN(C)N(C(=O)Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1327707374 WCGIDPAONAAHRQ-LLVKDONJSA-N 300.384 -0.545 50 20 DBGD CNC(=O)CC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1328731042 DGZRUFBZPMUPGY-UHFFFAOYSA-N 308.342 -0.388 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC(c3ncc[nH]3)CC2)N1 1331531199 HLSZSPTYKTXAKK-SNVBAGLBSA-N 320.353 -0.392 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN1C(=O)CCC1=O 1350994856 QAMKGRRJIVSICN-UHFFFAOYSA-N 305.290 -0.395 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)N=c1cc[nH]cc1 1520159103 USZOUYVHVWQAPB-ZYHUDNBSSA-N 304.354 -0.956 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cn1 1549319688 ITDSWQRLYHSGIX-STQMWFEESA-N 318.381 -0.144 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1COCCN1 1574191257 CDCPHCVMCCLAGM-JTQLQIEISA-N 303.322 -0.608 50 20 DBGD CCCCNC(=O)NNC(=O)c1cnn2cc(CCN)cnc12 1577462412 VYYTUAXOUFXLSM-UHFFFAOYSA-N 319.369 -0.025 50 20 DBGD O=C(O)[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)C1CC1 1594835809 LOVQZBOICNVTDA-LLVKDONJSA-N 321.337 -0.133 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)Cn1cc(C(=O)O)nn1 1600589654 CKFNDZHTWIDABR-UHFFFAOYSA-N 304.266 -0.859 50 20 DBGD Cc1csc(C(=O)O)c1S(=O)(=O)N1CC[C@H](B(O)O)C1 1600652320 MYIANYJDKIRPKT-ZETCQYMHSA-N 319.169 -0.008 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCS(=O)(=O)CC(C)C)[nH]n1 269071483 TUZUVZNYJVKOFW-UHFFFAOYSA-N 316.383 -0.060 50 20 DBGD CO[C@@H](C)CCC(=O)NNC(=O)CNC(=O)c1cccnc1 272862732 SRSRNCGOGALVKK-JTQLQIEISA-N 308.338 -0.226 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 279891626 STLDRBIUWGPTLV-AWEZNQCLSA-N 310.354 -0.400 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNc2ncncc2F)CC1=O 294015267 MXLNHLOULSCFAM-VIFPVBQESA-N 310.333 -0.531 50 20 DBGD CN(CCOCCO)CC(=O)NNC(=O)c1cccs1 312872722 ZIRPSFSBWGKRAK-UHFFFAOYSA-N 301.368 -0.550 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)n1cncn1 584945029 VKHPDCTWAHTJQN-DTWKUNHWSA-N 306.106 -0.524 50 20 DBGD CN1C[C@H](N(C)C(=O)c2cc(B(O)O)ccc2F)CCC1=O 584993113 SWLJQJJEWBOPEQ-SNVBAGLBSA-N 308.118 -0.802 50 20 DBGD O=C(N[C@H](C1CC1)[C@H](CO)C1CC1)c1cccc(B(O)O)c1 584997865 MIDIGNOIPFJQBZ-HUUCEWRRSA-N 303.167 -0.107 50 20 DBGD CCN1CCN(CCCCNCc2ccccc2B(O)O)CC1 585018494 WKSXWSATVDNQCK-UHFFFAOYSA-N 319.258 -0.126 50 20 DBGD CCN1CCCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 732471172 KYKXRURLDIOBMW-NSHDSACASA-N 311.386 -0.530 50 20 DBGD Cc1nonc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 733884684 HEABOVWPLHTYSA-JTQLQIEISA-N 304.262 -0.021 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCCn1ccnc1 733951239 COFDOSXIRHHTRH-LLVKDONJSA-N 313.358 -0.345 50 20 DBGD COC[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736968790 TZVSXEHZXRIHMQ-QMMMGPOBSA-N 304.310 -0.090 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 748635547 PFAGCKNTPZFFNO-TUAOUCFPSA-N 316.402 -0.149 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1ccc2c(c1)OCCO2 757759919 BFVIJLOOLXYAKW-UHFFFAOYSA-N 318.293 -0.525 50 20 DBGD O=C(Cn1cc(NC(=O)NNC(=O)C2CC2)cn1)NC1CC1 764670576 APOKUMRCTOLZMG-UHFFFAOYSA-N 306.326 -0.276 50 20 DBGD CSCCNC(=S)NNC(=O)c1cccc(C(N)=O)n1 782042660 RYOIWHANPHTJAV-UHFFFAOYSA-N 313.408 -0.348 50 20 DBGD CSC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCC1 787885307 AECXAVIJUWWKJV-ZETCQYMHSA-N 309.413 -0.643 50 20 DBGD CC(C)(C)c1cnc(NC(=O)C(=O)NNC(=O)CO)s1 789739475 OTQLJIUQOQPKCO-UHFFFAOYSA-N 300.340 -0.481 50 20 DBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)C(=O)NC1CC1 794886370 JXKFWHKQFLIXBR-UHFFFAOYSA-N 318.399 -0.715 50 20 DBGD CCN1CCN(CC(=O)NNc2cccc(F)n2)C(=O)C1=O 804770679 NIGTVBSUWDRYMF-UHFFFAOYSA-N 309.301 -0.646 50 20 DBGD CCOC(=O)N1CSC[C@@H]1C(=O)NN(C)C(=S)NC 822547092 HGDGAKVGMBBPEL-SSDOTTSWSA-N 306.413 -0.015 50 20 DBGD Cc1cc(CC(=O)NNC(=O)C(C)(C)CN2CCOCC2)n[nH]1 823823924 BJMITANIMGANLT-UHFFFAOYSA-N 323.397 -0.234 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NN(C)[C@@H](C)CO)c1 823982984 IIEVQWSUGFQHBV-JTQLQIEISA-N 315.395 -0.139 50 20 DBGD C[C@@H]1[C@H](O)CCN1CC(=O)NNC(=O)c1ccc(C#N)cc1 839617042 GTFKNWSNEVCMTL-ZWNOBZJWSA-N 302.334 -0.226 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2cncn2)nc1 843974778 OXFJPOIZERGJTC-GXSJLCMTSA-N 316.321 -0.152 50 20 DBGD Cc1cccc(C(=O)NNS(=O)(=O)N2CCCOCC2)n1 844662054 LKRJMTGXCWBHGR-UHFFFAOYSA-N 314.367 -0.408 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 854180334 KPGMBLCMIOBUGX-NWDGAFQWSA-N 310.306 -0.365 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c[nH]1 864231504 OLSFJXROIANHCV-ZETCQYMHSA-N 302.117 -0.961 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 869910737 XKTDEKAJVODKIY-GFCCVEGCSA-N 312.297 -0.060 50 20 DBGD NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)CCCCl 882438263 BROHILBKEZVTKV-JTQLQIEISA-N 311.835 -0.126 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)NN(C)C[C@H](C)O)c1 910184243 YKOBQGBQELWLNY-VIFPVBQESA-N 301.368 -0.448 50 20 DBGD CC1(C)OCC(C)(C(=O)NNC(=O)CN2CCCC2=O)CO1 913732278 OZOJXYSQJDABMJ-UHFFFAOYSA-N 313.354 -0.455 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)CN1CCc2ccccc21 920433157 PXKJARQJWMBYQH-UHFFFAOYSA-N 316.361 -0.181 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1118274628 INBKNPFGATWTBR-RKDXNWHRSA-N 306.322 -0.373 50 20 DBGD CO[C@]1(C(=O)NNc2ccnc(F)c2)CCS(=O)(=O)C1 1119565124 YMLLLHXFTGYSAB-LLVKDONJSA-N 303.315 -0.133 50 20 DBGD CN1CC[C@@H]1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 1122108682 MZHJMOBZIWANPO-ZWNOBZJWSA-N 320.349 -0.139 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cnn3ccccc23)N1 1261790107 ANNNFMVENDODEX-JTQLQIEISA-N 316.321 -0.557 50 20 DBGD O=C(NNS(=O)(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1320563468 XDLSOGAXKFQOPY-SSDOTTSWSA-N 308.337 -0.976 50 20 DBGD C[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1nncn1C 1320579375 NULYODZAIAHGBZ-SNVBAGLBSA-N 302.338 -0.073 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 1321184848 LALUUFKWJHDQEV-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1329716916 VOPZJTAGALTPBT-IUCAKERBSA-N 320.367 -0.842 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1=CCN(C)CC1 1331297718 QARWWRQTBPSERJ-GXSJLCMTSA-N 309.370 -0.754 50 20 DBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 1602969582 BGEFWLCMVZWGDR-JTQLQIEISA-N 311.294 -0.486 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1sccc1-c1nn[nH]n1 1609099866 DCLJLOPBQYGHJL-UHFFFAOYSA-N 323.338 -0.786 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 46774711 DBAFPECHJXRYTK-JTQLQIEISA-N 311.363 -0.024 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 266724270 MJGWDIMSELYUIK-UHFFFAOYSA-N 301.324 -0.096 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2CCCC(=O)N2)cc1 270609857 CKNOUCFGLDYSCB-GFCCVEGCSA-N 320.349 -0.077 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@]1(O)CCSC1 270873320 UGEOEDXEVDZVTM-ZDUSSCGKSA-N 312.347 -0.214 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1sccc1OC 272487615 RROSAVKJKQEGMY-UHFFFAOYSA-N 323.352 -0.578 50 20 DBGD CN(NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)C(N)=O 277024430 GAQVERZJLJQZQT-AWEZNQCLSA-N 306.322 -0.565 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 281399954 YNKQSCQKMYTNRC-JTQLQIEISA-N 313.427 -0.922 50 20 DBGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C2 290399618 KFIZKSUTXURJAO-GFCCVEGCSA-N 320.397 -0.258 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 292326120 JAXPTRNCVOYTLE-GFCCVEGCSA-N 310.306 -0.363 50 20 DBGD O=C(Cc1ccc2c(c1)CCO2)NNC(=O)C(=O)N1CCCC1 299555315 LZAYUXPFYSVGNY-UHFFFAOYSA-N 317.345 -0.066 50 20 DBGD C[C@H](C(=O)NNC(=O)N(C)C)N1C(=O)NC2(CCCC2)C1=O 368884813 FICNKKSIFWQGCZ-MRVPVSSYSA-N 311.342 -0.458 50 20 DBGD O=C(CN(C(=O)c1ccc(B(O)O)cc1)C1CC1)NC1CC1 584940671 YLVDVCSCCBCKPV-UHFFFAOYSA-N 302.139 -0.750 50 20 DBGD CC(C)CS(=O)(=O)Cc1nc(-c2cccc(B(O)O)c2)no1 585051443 GPDLLIXQOOBLSO-UHFFFAOYSA-N 324.167 -0.013 50 20 DBGD O=C1CN(CC(=O)NNC(=O)c2ccccc2Cl)CCCN1 726790079 BBQHIJXNAVZBDY-UHFFFAOYSA-N 324.768 -0.077 50 20 DBGD N#Cc1ccc(C(=O)NCC(=O)NNC(=O)NC2CC2)cc1 726986608 GPCHDCDWGWHOSA-UHFFFAOYSA-N 301.306 -0.219 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CN1CCC(=O)NC1=O 731865666 QIKBYHPYBUZWON-UHFFFAOYSA-N 304.306 -0.302 50 20 DBGD COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 735512769 MYFRILPOINVBRS-SNVBAGLBSA-N 324.341 -0.405 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ncccn1 742520747 CYQIAYOHXJSZPW-YJFSRANCSA-N 317.305 -0.918 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccn1 751378564 KWFJLIDXSITSCG-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD O=C(CCC(=O)NC1CCCC1)NNC(=O)C(=O)N1CCCC1 755801817 PHDGQPDYEIVBMB-UHFFFAOYSA-N 324.381 -0.405 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)NC1CCCCC1 758060726 KQFZHXNOTBLDJP-UHFFFAOYSA-N 300.359 -0.246 50 20 DBGD C#CCNC(=S)NNC(=O)c1ccc(-n2cnnn2)cc1 758181301 QLKWAIPTJNWYQI-UHFFFAOYSA-N 301.335 -0.596 50 20 DBGD COc1ccc(NNC(=O)C[C@@H]2NC(=O)NC2=O)c([N+](=O)[O-])c1 764819885 JFPHDWXKVZNGSG-QMMMGPOBSA-N 323.265 -0.355 50 20 DBGD CCN1C[C@H](C(=O)NNC(=S)NCCSC)CC1=O 770245140 ARXGRHKGSMGTBI-MRVPVSSYSA-N 304.441 -0.287 50 20 DBGD CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 776066227 HUQSJIAALCLIHM-FKTZTGRPSA-N 312.370 -0.345 50 20 DBGD CN(CCCNC(=O)CN1CC=C(C#N)CC1)S(C)(=O)=O 779591491 UWVIBCCNWPBJDD-UHFFFAOYSA-N 314.411 -0.460 50 20 DBGD C[C@@]1(NNC(=O)C(=O)Nc2ccccc2)CCS(=O)(=O)C1 783427086 LLOCVADYZJRRBK-CYBMUJFWSA-N 311.363 -0.177 50 20 DBGD C[C@@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C(=O)N(C)C 805174642 JQTLVSWJMPYLQL-SECBINFHSA-N 318.341 -0.235 50 20 DBGD O=C(O)C[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2COCCO2)C1 819365044 MPHOKSSVCQSZCA-VHSXEESVSA-N 315.326 -0.671 50 20 DBGD O=C(Cn1ccnc1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 823123262 VFSVHCBBBBIXFT-UHFFFAOYSA-N 312.293 -0.476 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)cc1 823988192 QCLIDXNWGPMRFZ-JTQLQIEISA-N 315.395 -0.058 50 20 DBGD CON(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 826166717 XMGJWMCUGFJSEQ-UHFFFAOYSA-N 305.298 -0.879 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 843649931 YWSFFGKNTDFFPV-PSASIEDQSA-N 311.298 -0.246 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(=O)n1 843973437 YLLAMLULRILQTO-GHMZBOCLSA-N 308.338 -0.567 50 20 DBGD CC(=O)c1cn(CC(=O)NNC(=O)OCC(F)(F)F)nn1 856027379 JXKMSRXJQGKBCN-UHFFFAOYSA-N 309.204 -0.200 50 20 DBGD Cc1cnn([C@H]2CCN(C(=O)NNC(=O)[C@H]3CCC(=O)N3)C2)c1 858700722 RUMMYKVNRXTNSJ-WDEREUQCSA-N 320.353 -0.542 50 20 DBGD C=CCOc1cccnc1C(=O)NNC(=O)CS(C)(=O)=O 863464840 UTJXUCDQIJJTSG-UHFFFAOYSA-N 313.335 -0.548 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 907252755 JFRIGAFTINQIRR-LLVKDONJSA-N 314.386 -0.046 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)C1CCOCC1 1262031595 WBPZTDGHGGHHOQ-UHFFFAOYSA-N 313.354 -0.801 50 20 DBGD Cn1ccnc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1318249498 VTQXKTGXPKDCGD-NSHDSACASA-N 301.372 -0.699 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)Cc2nc3ncccn3n2)n1 1321362046 XGWUWBQFPIIIHH-UHFFFAOYSA-N 319.716 -0.164 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)CO[C@H]1CCOC1 1323511776 PFQIZGYFTOFRJK-JTQLQIEISA-N 310.306 -0.276 50 20 DBGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 1324287846 BKEOCDZSEORRIA-UHFFFAOYSA-N 324.293 -0.863 50 20 DBGD CN(C)N(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCS(=O)(=O)C1 1330192778 QMULJVOTQKBPBH-SSDOTTSWSA-N 317.327 -0.576 50 20 DBGD O=C(NCCCN1CCOCC1)NNC(=O)C1CCOCC1 1330829180 INXFSQFMXDBFNF-UHFFFAOYSA-N 314.386 -0.534 50 20 DBGD COc1c(O)nc(O)nc1C(=O)NNC(=O)CC(F)(F)F 1334440858 PBXXIBPEJWZCPS-UHFFFAOYSA-N 310.188 -0.390 50 20 DBGD C=C(CCC(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 1573338021 VYYUVWFXUITBMM-UHFFFAOYSA-N 309.278 -0.422 50 20 DBGD CN1C[C@@H](O)C[C@@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1591170351 FXHOKZJESWRPNO-FZMZJTMJSA-N 317.353 -0.235 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 1592220830 PUSWWZKPXRZIBF-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD OB(O)c1cccc(CNCCc2ccc(-c3nn[nH]n3)cc2)c1 1593497517 BHEHVHRWVMWAIP-UHFFFAOYSA-N 323.165 -0.121 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)O1 1605409924 FCRRSTWHAOLAAW-HZGVNTEJSA-N 305.298 -0.477 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)c2cn(CC(=O)O)nn2)c1 1605617614 PXGGQXIOIRLUGG-UHFFFAOYSA-N 314.261 -0.691 50 20 DBGD CN(C)S(=O)(=O)CC(=O)NNc1cccc(C(=O)O)c1 1606037523 JLVAPMOQMQXYJK-UHFFFAOYSA-N 301.324 -0.281 50 20 DBGD Cc1coc(CC(=O)O)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1607921173 JFKZOWCZIOXIOH-SSDOTTSWSA-N 309.278 -0.745 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1cc(C(=O)O)no1 1608351736 AIFZCRACCUXXFN-UHFFFAOYSA-N 321.245 -0.082 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nn1 46773020 QYWSHAXZGRMRJH-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD CNC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 48949757 CTPBIXPNGLITMV-UHFFFAOYSA-N 320.396 -0.586 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ccc(Cl)nn2)c1=O 118497271 RHEGMKZIJGQCOV-UHFFFAOYSA-N 310.701 -0.866 50 20 DBGD O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C1CC1 275789220 KRHRGWAVCLIHLZ-CHWSQXEVSA-N 321.377 -0.015 50 20 DBGD CCO/C=C(\C#N)C(=O)NCCNS(=O)(=O)NC(C)C 277582175 OMTLINUSYLPYPP-CSKARUKUSA-N 304.372 -0.621 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(=O)OC 285460666 ANUOMBKJUFSBFJ-ZJUUUORDSA-N 313.354 -0.362 50 20 DBGD C=C[C@](C)(O)CC(=O)NNC(=O)CNC(=O)c1cccs1 289631434 CBUIPNGFQDYBJH-ZDUSSCGKSA-N 311.363 -0.048 50 20 DBGD Cc1cnn(CCCNC(=O)c2cc(B(O)O)ccc2F)c1 584936673 LACLRHFKHZVLKZ-UHFFFAOYSA-N 305.118 -0.169 50 20 DBGD CS[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1N(C)C 584968621 ZLKLYVDKVSTLBP-STQMWFEESA-N 308.212 -0.516 50 20 DBGD CC(C)N1C[C@@H](CNC(=O)c2ccc(B(O)O)cc2)CC1=O 584996096 XLXANNUEMZDDNV-LLVKDONJSA-N 304.155 -0.647 50 20 DBGD COc1ccc(Br)cc1S(=O)(=O)NCB(O)O 585055188 ZKUUWUMUJOVQCS-UHFFFAOYSA-N 323.961 -0.252 50 20 DBGD CSc1ccc(N2C[C@H](C(=O)NCB(O)O)CC2=O)cc1 585060989 NGENZYUZDFSNOP-SECBINFHSA-N 308.168 -0.110 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNc1nccn(C)c1=O 747938369 UDZJZWFJCNBQCR-UHFFFAOYSA-N 316.383 -0.172 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CN1C1CC1 753942813 FPTDCSNQIXWLKI-WPRPVWTQSA-N 309.370 -0.779 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)[C@]1(CO)CCOC1 763893238 QSFWOYMCRIYCGJ-ZDUSSCGKSA-N 313.379 -0.408 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(N2CCCCC2)c1 764421693 QMWUUTVRTJUSJK-UHFFFAOYSA-N 320.349 -0.245 50 20 DBGD COc1cccc(NNC(=O)c2cn(C)c(=O)n(C)c2=O)n1 780770147 HGJXZEOAAUGJJI-UHFFFAOYSA-N 305.294 -0.756 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnc2c1nnn2C 801496393 IXVPCYIGUOBCAC-ZETCQYMHSA-N 320.309 -0.534 50 20 DBGD Cn1nccc1COCC(=O)NNC(=O)N=c1cc[nH]cc1 803394561 XINLKPRQNRCTLW-UHFFFAOYSA-N 304.310 -0.394 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc3[nH]cnc3c2)CC1 807379738 CGFQPEKUWQTDQJ-UHFFFAOYSA-N 303.326 -0.440 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C 819875796 IIBCEKZYIUMOOK-UTLUCORTSA-N 305.400 -0.102 50 20 DBGD CCOC(=O)N1CSC[C@H]1C(=O)NN(C)C(=S)NC 822547093 HGDGAKVGMBBPEL-ZETCQYMHSA-N 306.413 -0.015 50 20 DBGD CCN(CCO)NC(=O)CNS(=O)(=O)c1cccs1 823846602 LRDHSFPQEYUICW-UHFFFAOYSA-N 307.397 -0.628 50 20 DBGD CC(=O)NCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 823994289 FGUWIPIRCWBSSM-UHFFFAOYSA-N 310.705 -0.506 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826602270 CZDFUFBCCLYIJZ-AEJSXWLSSA-N 300.359 -0.391 50 20 DBGD CN(CC(Cl)Cl)C(=O)CN1CCS(=O)(=O)CC1 848081330 SSAHCTMHORFXLE-UHFFFAOYSA-N 303.211 -0.021 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccc(Cl)n1 849298908 QAFPZIDWUWNWLU-UHFFFAOYSA-N 315.786 -0.068 50 20 DBGD NS(=O)(=O)CCCCNC(=O)NNc1ncc(Cl)cn1 856909357 FXLGMWIOZCJJCE-UHFFFAOYSA-N 322.778 -0.175 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)N1 858318668 SGUICROAMYSQRY-CNVPUSNMSA-N 322.365 -0.447 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cnc2n1CCCCC2 863467250 RTPHWPWUMJLIHV-UHFFFAOYSA-N 314.367 -0.585 50 20 DBGD COC(=O)[C@@H](Cc1ccccc1)NCC(=O)NNC(=O)C1CC1 878860295 FSTJAMIWQVFLBV-CYBMUJFWSA-N 319.361 -0.082 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 915957362 JMPTXLLSAJWHIA-QMMMGPOBSA-N 314.319 -0.049 50 20 DBGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)C2CCC2)C1 1116366613 PIEJDRWRKUDGRB-VIFPVBQESA-N 318.399 -0.602 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCCc2nc(C)ncc21 1252439363 XRRRSVVQPVWXDJ-SNVBAGLBSA-N 307.310 -0.334 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccccc1OCC1CC1 1320237346 KXMSYCRNUAATJR-UHFFFAOYSA-N 321.333 -0.056 50 20 DBGD O=C(NNC(=O)c1cc2c(nc1O)CCC2)C(=O)N1CCCC1 1320931195 TVPRAHJVFZXNHV-UHFFFAOYSA-N 318.333 -0.341 50 20 DBGD CNC(=O)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)cn1 1322144174 IGCATLHCWULELP-UHFFFAOYSA-N 312.293 -0.136 50 20 DBGD O=C(Cc1ccccc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1322391722 YEVZJTHBIOGJSB-NSHDSACASA-N 311.363 -0.253 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@@H]1CCOC1 1324107740 OSNRADGTSJURCY-WDEREUQCSA-N 316.354 -0.083 50 20 DBGD COCCN(C)NC(=O)c1cnn(-c2ccc(O)nn2)c1C 1325265132 FRQTWGATJNCHKZ-UHFFFAOYSA-N 306.326 -0.101 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(OC)n(C)n1 1325744205 NYJKNDFMZDHTRJ-UHFFFAOYSA-N 311.342 -0.506 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2CCNCC2)C[C@H]1Br 1334722223 XGVFNGPTJQQFQB-KCJUWKMLSA-N 304.188 -0.292 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ncc(F)cn1 1336123346 NZAKKHUXFNRIJJ-UHFFFAOYSA-N 304.245 -0.856 50 20 DBGD O=C(NNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1)c1cccnn1 1336947124 KTLWCKBDGUFKRD-RBLKWDMZSA-N 301.306 -0.284 50 20 DBGD CO[C@H](C(=O)NNc1ccc(C(N)=O)nn1)c1cnn(C)c1 1344547606 BYIAVNMOVHONCZ-JTQLQIEISA-N 305.298 -0.860 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cccnc1F 1349154648 WZXJBYVWQHWCRA-HTQZYQBOSA-N 310.285 -0.268 50 20 DBGD Cc1ccc(SCC(=O)NNC(=O)CC2(O)CNC2)cc1 1579735702 ZZJMFNFTNXELJU-UHFFFAOYSA-N 309.391 -0.041 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591275475 ICBHBHKCYKKMNE-LURJTMIESA-N 306.286 -0.551 50 20 DBGD O=C(NNc1nc[nH]n1)C1=NN(c2ccccc2)[C@@H](C(=O)O)C1 1594781256 JVZNAFIYHXLKSC-SNVBAGLBSA-N 315.293 -0.033 50 20 DBGD Cc1c(C(=O)O)cc(CNC(=O)c2ccc(B(O)O)cc2)n1C 1599992710 FFNLOJFUOHFHPF-UHFFFAOYSA-N 316.122 -0.358 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1601323696 DOMHDMLWWJVNIY-OCAPTIKFSA-N 324.293 -0.797 50 20 DBGD O=C(O)C(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21 1601638408 XUQFFUKTTGQZRJ-UHFFFAOYSA-N 300.267 -0.092 50 20 DBGD O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)[C@@H]1CCCO1 32258837 XXGNIRIMSKNAAZ-LBPRGKRZSA-N 316.317 -0.277 50 20 DBGD O=C(CN1CCN(c2ccccn2)CC1)NNC(=O)NC1CC1 81295996 XEFLGBZERIGPHO-UHFFFAOYSA-N 318.381 -0.304 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C)CC1 153978220 ZBHZMBHOFNTDHF-UHFFFAOYSA-N 304.394 -0.068 50 20 DBGD C[C@@]1(c2ccc(C(=O)NNC(=O)C3CC3)cc2)NC(=O)NC1=O 267080459 QPUWZIYJXWYBET-HNNXBMFYSA-N 316.317 -0.088 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)C2(NC(N)=O)CC2)c1 270926307 KBIBQEMGLSBBDQ-UHFFFAOYSA-N 305.338 -0.286 50 20 DBGD COc1cccc(NNC(=O)NCCn2cnc(C#N)n2)n1 286993805 PQHJBOYZLLUSOH-UHFFFAOYSA-N 302.298 -0.120 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)OC[C@H]2C1 493941533 LNWNQAHWDNGGCV-WDEREUQCSA-N 312.370 -0.295 50 20 DBGD C[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc(B(O)O)cc1 584939784 YWZMVDPMEGDOLV-LBPRGKRZSA-N 318.182 -0.113 50 20 DBGD COCCCN1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584940335 SPYNMHYXXYAQRJ-UHFFFAOYSA-N 320.198 -0.403 50 20 DBGD CN(CCNC(=O)c1ccc(B(O)O)cc1)CC(F)(F)F 584944302 KBRBBLGVNKHYKO-UHFFFAOYSA-N 304.077 -0.410 50 20 DBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C[C@@]2(CCOC2)O1 584982791 IRDGTQGEXFLPGG-MRXNPFEDSA-N 319.166 -0.224 50 20 DBGD Cc1nnc(CN(C)C(=O)c2cc(B(O)O)ccc2F)s1 585007495 BAQUVUUVACOJNS-UHFFFAOYSA-N 309.131 -0.062 50 20 DBGD O=C1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CN1Cc1ccccn1 585069494 NIKBYWIWXGYRHM-NWDGAFQWSA-N 317.154 -0.495 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)nc1 730750926 YELLYEJQPJRTMT-UHFFFAOYSA-N 313.273 -0.263 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)N1 733169830 BGRXALVAMHJFPO-LBPRGKRZSA-N 313.317 -0.088 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)C[C@H]1CCCCO1 740810523 XUQIPVIDNWBROG-SECBINFHSA-N 307.372 -0.969 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 745834460 SMIKEZTUNGNIOQ-UHFFFAOYSA-N 314.323 -0.404 50 20 DBGD CCc1nncn1CCNC(=O)NNc1nccc(OC)n1 745911759 MRKJJIDJTKQXGN-UHFFFAOYSA-N 306.330 -0.035 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 745985997 HTGRPWLUNKWAMQ-LLVKDONJSA-N 312.370 -0.150 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)NCc1ccco1 759750825 UJNPRFKOGJKABT-UHFFFAOYSA-N 320.305 -0.014 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCS(=O)(=O)C[C@H](C)C1 763895551 NGGYAGIMOKTOGD-ZJUUUORDSA-N 305.400 -0.701 50 20 DBGD NC(=O)[C@H]1CSCCN1S(=O)(=O)CBr 782479461 UQTMIFDDTQQJQU-RXMQYKEDSA-N 303.203 -0.429 50 20 DBGD CC(C)c1nccn1CC(=O)NNC(=O)N1CCN(C)CC1 822765095 UVTVPHFGAJKUAB-UHFFFAOYSA-N 308.386 -0.005 50 20 DBGD C[C@H](C#N)CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 824035312 WSGMFXGCYJVDFZ-MRVPVSSYSA-N 314.309 -0.030 50 20 DBGD CC(C)C[C@H](NC(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 824299692 WYFJRJAQBVOMGI-QMMMGPOBSA-N 310.314 -0.299 50 20 DBGD CC(=O)NCCN(C)CC(=O)NNC(=O)c1ccc(F)cc1 830136545 ZBATVEPYVFXTEB-UHFFFAOYSA-N 310.329 -0.345 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NCCN1CCNCC1 841921553 SLWILXFONYCBJA-UHFFFAOYSA-N 305.382 -0.156 50 20 DBGD CN(C[C@H]1COCCO1)C(=O)NNC(=O)Cc1cccnc1 852058274 CZFGZRCYINNEEV-LBPRGKRZSA-N 308.338 -0.288 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCS1(=O)=O 854285932 SAWUDHITPIFYLZ-VIFPVBQESA-N 323.440 -0.562 50 20 DBGD Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 861947189 RBKGGLBZUQFMJG-SECBINFHSA-N 322.296 -0.501 50 20 DBGD CCN(CC)CCSCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455056 CVEHZKHPZTUTAQ-SNVBAGLBSA-N 316.427 -0.513 50 20 DBGD C#CCOc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862456415 PHBQTIUWMJKMDC-GFCCVEGCSA-N 301.302 -0.262 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCSc1ccccn1 863462042 DHXBSVNUZATVNR-UHFFFAOYSA-N 317.392 -0.244 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c(C)o1 864231001 ILDNJPGVUPSDAZ-MRVPVSSYSA-N 317.128 -0.388 50 20 DBGD COCCOCC(=O)NNC(=O)C(F)(F)C1(O)CCCC1 869905351 AWAHIWVYDMJNDN-UHFFFAOYSA-N 310.297 -0.263 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCC(=O)N2C)n1 905160870 QUGZDMWYRGTJEC-LLVKDONJSA-N 307.354 -0.342 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)[C@H]1CCCCO1 908516376 BCTDSDNKDHFFDU-GFCCVEGCSA-N 309.370 -0.225 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1118304180 YLWHLODRCBGWPC-VIFPVBQESA-N 315.351 -0.065 50 20 DBGD C[C@@H]1OCC[C@]12CN(C(=O)NNC(=O)c1cn[nH]c1)CCO2 1118864634 REKBHIGKCXNVMG-ZANVPECISA-N 309.326 -0.356 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1cnc(N2CCCC2)nc1 1118894097 YIYSXBOKDSYGBL-UHFFFAOYSA-N 311.367 -0.429 50 20 DBGD Cc1csc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1261787528 SDFLLTUJQLXYBZ-QMMMGPOBSA-N 311.367 -0.397 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(OCC#N)cc1 1318373217 XTGHSWWNDDRUFR-UHFFFAOYSA-N 318.333 -0.197 50 20 DBGD CCOC(=O)CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 1319402978 GGAAHOXIRRHKNZ-UHFFFAOYSA-N 318.333 -0.186 50 20 DBGD Cc1nc([C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)no1 1323200499 KCUGDFKQMQIWQG-ZETCQYMHSA-N 310.314 -0.608 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCCC23CCOCC3)N1 1331532456 IDEORTNAXAYSNG-GHMZBOCLSA-N 324.381 -0.055 50 20 DBGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1332155453 CNYIBVGRJYOQQN-ZJUUUORDSA-N 323.353 -0.025 50 20 DBGD Cc1nc(C(=O)NNC(=O)CC(F)(F)F)nn1-c1nc[nH]n1 1334457759 GEQDIOVBKXBBNH-UHFFFAOYSA-N 318.219 -0.593 50 20 DBGD C[C@H](C[S@](C)=O)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1342301727 VILWAJREIZSCRH-BNNCRPASSA-N 311.429 -0.866 50 20 DBGD O=C1CCC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)N1 1346155089 BWEPRKALNLYPSM-SECBINFHSA-N 301.310 -0.226 50 20 DBGD O=C1CC[C@@H](C(=O)NN=Cc2ncc(C3OCCO3)s2)N1 1351651930 RYWWKXHCFBHJJR-ZETCQYMHSA-N 310.335 -0.083 50 20 DBGD C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)[C@@H]3COCCO3)CN2C1 1548662545 ZTSAEDNTAYMFOS-VOAKCMCISA-N 311.382 -0.330 50 20 DBGD C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)n1cncn1 1588999905 QXJYYYRKYOKKDN-ZETCQYMHSA-N 300.286 -0.443 50 20 DBGD C[C@H](O)CN(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1590000375 MGHLBTSVLAIYPZ-VIFPVBQESA-N 305.342 -0.378 50 20 DBGD COc1ccccc1OCCCNC(=O)NNC(=O)C(=O)O 1599716334 LKYDHYVNEODFMO-UHFFFAOYSA-N 311.294 -0.121 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1cnc(C(=O)O)cn1 1601369786 JIFVBWRZLUMCHU-UHFFFAOYSA-N 301.262 -0.427 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1ccccc1C(=O)O 1601384111 HDEBELIZZHFZTL-UHFFFAOYSA-N 304.262 -0.210 50 20 DBGD NCCCC(=O)NNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 1606436762 BZPIAMYIVZCHAL-UHFFFAOYSA-N 322.304 -0.103 50 20 DBGD Cc1cc(CNC(=O)c2cccc(B(O)O)c2)oc1C(=O)O 1607644693 KBNFKEUSOWXUHB-UHFFFAOYSA-N 303.079 -0.104 50 20 DBGD O=C1CCC(C(=O)OCC(=O)NNC(=O)c2ccccc2)=NN1 9538437 HAZWYQGIUGUTLZ-UHFFFAOYSA-N 318.289 -0.743 50 20 DBGD C[C@H](CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 49119711 QIGGKWDWMAPPNX-PSASIEDQSA-N 303.384 -0.060 50 20 DBGD CC(C)NC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 63271680 RQJUCVMKLIZMHG-UWVGGRQHSA-N 310.354 -0.100 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2cccc(N(C)C)c2)CC1 109927530 KOMQKAMOEOTZAR-UHFFFAOYSA-N 319.409 -0.239 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C1=O 265834311 VMGDSGBTTFIBHP-GFCCVEGCSA-N 319.365 -0.073 50 20 DBGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 274036695 FCBLEVLWWJNCKL-UHFFFAOYSA-N 318.333 -0.654 50 20 DBGD COCCN(C)NC(=O)CCn1nnc2ccccc2c1=O 288326147 DOIFSJXYJQUQKK-UHFFFAOYSA-N 305.338 -0.209 50 20 DBGD COc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCCO1 293527766 YJICNTJOIFCFDC-NSHDSACASA-N 307.306 -0.040 50 20 DBGD CCOC(=O)N1CCN(S(=O)(=O)NN(C)C(=O)OC)CC1 496665964 YEUZZYZUBZJRHU-UHFFFAOYSA-N 324.359 -0.792 50 20 DBGD CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cccc(B(O)O)c1 584913727 IRRIGRFSISZDHM-CQSZACIVSA-N 304.155 0.000 50 20 DBGD COCCCN(CCOC)C(=O)c1cc(B(O)O)ccc1F 584933311 ZSALOWZMOFQPCC-UHFFFAOYSA-N 313.134 -0.369 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 584987607 WRMUOXQUHJCBIA-SNVBAGLBSA-N 316.126 -0.790 50 20 DBGD COC(=O)COc1ccc(C(=O)NNC(=O)CN(C)C)cc1 733360320 ICGGYVWGGBPABR-UHFFFAOYSA-N 309.322 -0.439 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)NC1CCCCC1 746095117 YPGCPJPHRLRFPP-MRVPVSSYSA-N 306.388 -0.413 50 20 DBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)N1CCOCC1 751387727 XIZPCQLXDGEXQQ-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD COCC(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1F 756335264 FPCMJZIYPKSXAB-UHFFFAOYSA-N 309.261 -0.400 50 20 DBGD C[C@@H]1CC[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758045043 BEJMISFAUGEWTP-OPRDCNLKSA-N 305.400 -0.102 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)C(C)(C)C(N)=O)C[C@@H](C)O1 769848261 WUPSCKPKEWDFEK-AOOOYVTPSA-N 314.386 -0.855 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(C(=O)O)o1 773055308 MXKPLEYGKTXMBR-SSDOTTSWSA-N 317.323 -0.244 50 20 DBGD Cc1nc(S(=O)(=O)NCC(=O)N2CC=C(C#N)CC2)cn1C 780684370 FKGDOOFUDQGWEE-UHFFFAOYSA-N 323.378 -0.311 50 20 DBGD CNC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccccc1 781232176 DVGCJFGZHBYBSI-UHFFFAOYSA-N 321.333 -0.093 50 20 DBGD COCCN([C@@H](C)C(N)=O)S(=O)(=O)CBr 782434720 KJEWDMAUFMKGFP-LURJTMIESA-N 303.178 -0.509 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)CC(C)(C)O)C[C@@H](C)O1 792628288 FVMVLOUENZKRIZ-GHMZBOCLSA-N 301.387 -0.206 50 20 DBGD CN1CCN(C(=O)NNC(=O)C(F)(F)C2(O)CCC2)CC1 807378632 HAONMPCYRIJXGX-UHFFFAOYSA-N 306.313 -0.475 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCOC[C@H]2CCCO2)CC1 807381964 QXJIKQFKKSBUML-GFCCVEGCSA-N 314.386 -0.440 50 20 DBGD CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(CCCl)cc1 809838185 RWWUZHSDNAFJNC-NSHDSACASA-N 320.798 -0.147 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)c2ccnnc2)CC1=O 817693452 LYSBBNMYVFMFPY-NSHDSACASA-N 305.338 -0.258 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCS(C)(=O)=O 827289420 SSLUWEWTTVWRMX-DTWKUNHWSA-N 307.372 -0.871 50 20 DBGD N#Cc1cccc(NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c1 830766757 OTWAMQSMOPGFPN-NSHDSACASA-N 323.378 -0.083 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nc1C 842591242 XIVJHMGRPHRHDM-PSASIEDQSA-N 316.383 -0.054 50 20 DBGD CCN1C[C@@H](CNC(=O)NNc2nccc(OC)n2)CC1=O 845491018 BKHBDJFXODPOCB-SECBINFHSA-N 308.342 -0.020 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 854381885 SVTGVMUHAMHCFE-UHFFFAOYSA-N 323.401 -0.954 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CCNC1=O 857175567 XBEXYKVQJZPLNY-QMMMGPOBSA-N 314.342 -0.815 50 20 DBGD N#Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858600746 UEMZVONBNWEZPX-GFCCVEGCSA-N 315.333 -0.290 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@H]2C2CCOCC2)N1 858696774 NZCDCXBRAIFCOG-RYUDHWBXSA-N 324.381 -0.103 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1(F)F 858700533 NTVZJUWOXJJCJT-JGVFFNPUSA-N 304.297 -0.017 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1 862095941 RDPKCTIISJERNA-WPRPVWTQSA-N 310.310 -0.758 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2[nH]ncc12 863090246 DZWMQNXWRRUWIG-QMMMGPOBSA-N 309.351 -0.049 50 20 DBGD COC(=O)[C@@]1(C)CN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1C 869838192 CWNBOSZMSWWYSE-BONVTDFDSA-N 305.139 -0.362 50 20 DBGD CN1C(=O)[C@@H]2CN(C(=O)/C(C#N)=C/c3cnn(C)c3)C[C@@H]2C1=O 871531700 LQYHFXRGCCCEDN-CMSDODITSA-N 313.317 -0.600 50 20 DBGD Cn1cc(C=NNC(=O)NCC(F)(F)F)c(=O)n(C)c1=O 917551902 NIIHADWQDTXZRN-UHFFFAOYSA-N 307.232 -0.721 50 20 DBGD COC[C@H]1COCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C 933329930 COYUFABPYYHLOY-RYUDHWBXSA-N 301.387 -0.084 50 20 DBGD C[C@@]1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCCOC1 1116519178 ZQXNBCKWGRAPAF-JOYOIKCWSA-N 304.368 -0.615 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCn1c(C)nc2ccccc21 1252438426 OPFVMZIDAVFMKI-UHFFFAOYSA-N 319.321 -0.152 50 20 DBGD NC(=O)N1CCCN(S(=O)(=O)CBr)CC1 1254033065 HWCSOHDIZHBEMF-UHFFFAOYSA-N 300.178 -0.245 50 20 DBGD Cc1ccc(CCNC(=O)NNC(=O)C(=O)NC2CC2)cn1 1318425465 KZVKQTOJRGITGK-UHFFFAOYSA-N 305.338 -0.458 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccc(C(=O)N(C)C)c1 1318883350 XCZLDVDQHXMTSC-UHFFFAOYSA-N 322.321 -0.608 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC(=O)N2CCCCC2)cn1 1322970417 TXFHSGKIZULQLM-UHFFFAOYSA-N 308.342 -0.623 50 20 DBGD CC1=CC(NC(=O)C(=O)NNC(=O)c2ccncc2)=S=N1 1325329148 SPTJEBXYQOBUNK-UHFFFAOYSA-N 305.319 -0.728 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 1342586438 KLKZRACWNFFNTO-NSHDSACASA-N 323.353 -0.196 50 20 DBGD Cc1nc(N(C)C)sc1C(=O)NNC(=O)CS(C)(=O)=O 1348436176 LIYMNXAHQSCLGD-UHFFFAOYSA-N 320.396 -0.677 50 20 DBGD COC(=O)N(C)NC(=O)NC1CCN(CC(=O)N(C)C)CC1 1352529130 SYTLBNYREPQXKO-UHFFFAOYSA-N 315.374 -0.549 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549316140 FHEWIIPYWJAZGA-RYUDHWBXSA-N 317.411 -0.224 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2NCCOc3ccccc32)N1 1580843686 MPJHQFDMHGOVMO-GWCFXTLKSA-N 318.333 -0.864 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 1588870043 TVDOPYHZPKPLDS-UHFFFAOYSA-N 307.245 -0.888 50 20 DBGD CC[C@H](CNC(=O)NNC(=O)c1ccc(=O)n(C)c1)C(=O)O 1589537835 BQNUZCLRMSPUBO-MRVPVSSYSA-N 310.310 -0.560 50 20 DBGD CN(CC(=O)NNC(=O)C1CC1)[C@@H](COC1CCC1)C(=O)O 1598396329 CAFKBCZLCFPHCF-NSHDSACASA-N 313.354 -0.502 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)c(F)c1F 1600482527 DVBJIVNPUFGNCG-UHFFFAOYSA-N 323.277 -0.150 50 20 DBGD O=C(NNc1ccccc1C(=O)O)c1cnn(C[C@@H](O)CO)c1 1601561743 XURPVSPTYXOHOJ-SNVBAGLBSA-N 320.305 -0.309 50 20 DBGD COC(=O)N[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 264485810 RHLQAIWZFVHAKT-VIFPVBQESA-N 314.342 -0.863 50 20 DBGD O=Cc1cccc(OCC(=O)NNC(=O)N2CCOCC2)c1 264881817 KGVGDRAQYWFNBO-UHFFFAOYSA-N 307.306 -0.049 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)C2CN(C(C)=O)C2)cc1 276676109 VNLXFFIWSCNNJI-UHFFFAOYSA-N 320.349 -0.267 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 294068607 BNWWQGINUNFVFH-CBAPKCEASA-N 311.298 -0.185 50 20 DBGD CN(C)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 299371912 LDAHLWAOYZOOSM-UUTMEEIUSA-N 306.322 -0.904 50 20 DBGD O=C(Cc1ccc2c(c1)OCO2)NNC(=O)C(=O)N1CCCC1 299476732 ISBPIJUNTGGBBT-UHFFFAOYSA-N 319.317 -0.272 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCn3ccnc3C2)CC1 377231140 AKXLSYFPDOBJHT-NSHDSACASA-N 306.370 -0.566 50 20 DBGD CCN1CCO[C@H](C(=O)NNC(=S)NCCSC)C1 378365239 IMGLDSPVBYLVJO-VIFPVBQESA-N 306.457 -0.435 50 20 DBGD COC(=O)NNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 490596934 ZFVJVVGQRZAUPH-SECBINFHSA-N 310.232 -0.053 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nnc2n1CCC2 584933532 DFJPABRTQBLQNB-QMMMGPOBSA-N 318.117 -0.466 50 20 DBGD C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584943852 HFAZXYLXFASQGU-CYBMUJFWSA-N 302.139 -0.727 50 20 DBGD C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cccc(B(O)O)c1 584988713 SHMNOZFPKNISQL-DOMZBBRYSA-N 318.182 -0.698 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(OCC#N)c1 728435043 UHYHCMDNIKIFAD-JTQLQIEISA-N 324.362 -0.023 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1cccc(C#N)c1 733660219 DYRNZUNFRKCWKC-SECBINFHSA-N 324.362 -0.065 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=S)N[C@@H](C)COC 740773058 UZJCZIMQCDKJPZ-QMMMGPOBSA-N 304.416 -0.179 50 20 DBGD O=C(CN1CCC2(C1)OCCO2)NNC(=O)c1cccs1 741778768 JEUIAQRWGDMEQL-UHFFFAOYSA-N 311.363 -0.042 50 20 DBGD Cc1nc([C@H]2CCCN(CC(=O)NNC(=O)C3CC3)C2)n[nH]1 760961500 KEGHABYXYLRZIG-NSHDSACASA-N 306.370 -0.150 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1c(C)nc2ccccn12 761138045 LOMBXVIFASWLFS-UHFFFAOYSA-N 304.310 -0.667 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NN=c1cc[nH]cc1Cl 768448927 SSLJMLXFKKMWLP-UHFFFAOYSA-N 311.729 -0.068 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C(N)=O)c1 771984242 HBVOOVWUQRYWNC-QMMMGPOBSA-N 307.306 -0.112 50 20 DBGD O=C(COc1ccccc1O)NNS(=O)(=O)NC1CC1 772644008 MVKFCCYVPJJGMC-UHFFFAOYSA-N 301.324 -0.611 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1=O 773247676 VHSLIZWCMKGTJJ-LLVKDONJSA-N 315.333 -0.498 50 20 DBGD C#C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCCO1 776225049 OSQATIKJXVDDMS-MNOVXSKESA-N 308.338 -0.880 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]nc2[N+](=O)[O-])n1 788267748 OLCRLNKMYKKBNG-UHFFFAOYSA-N 307.270 -0.408 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)CO)c(N(C)C)c1 792416137 WLBFWEQZEGXFOG-UHFFFAOYSA-N 310.310 -0.316 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CC(=O)N(C)C[C@@H]2C)n1 793228060 IXUUEIKCBKXKQJ-JTQLQIEISA-N 305.338 -0.093 50 20 DBGD CN1CC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CC1=O 804953321 LSKKMWGSDPACNC-SNVBAGLBSA-N 315.337 -0.026 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(OC)cn1 832648487 ACIBLZBJDCUYNL-QMMMGPOBSA-N 302.356 -0.139 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)[C@H]2COCCO2)c1 833259878 QVNWAPCYMRXCOW-LLVKDONJSA-N 324.289 -0.674 50 20 DBGD Cc1nonc1CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 845079406 BKGRSJLYGAWACN-GFCCVEGCSA-N 318.289 -0.092 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2CCc3nnnn3CC2)n1 845182786 VNCFKHMVRXNZAE-QMMMGPOBSA-N 304.314 -0.433 50 20 DBGD O=C(NNc1cnnc2ccccc12)[C@@H]1CCS(=O)(=O)N1 846634703 FOABXNBZZQTARL-JTQLQIEISA-N 307.335 -0.235 50 20 DBGD C[C@@H]1COCCN1C1CCN(CC(=O)NNC(=O)C2CC2)CC1 846910875 DVHCNGATXCIYTF-GFCCVEGCSA-N 324.425 -0.271 50 20 DBGD COC(=O)[C@](C)(CO)N[C@H](C)C(=O)NNC(=O)CC(C)C 852159929 USCFKPDMFLKMHX-RNCFNFMXSA-N 303.359 -0.918 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 854290897 IOFRJYZQZVLGCK-MXWKQRLJSA-N 324.381 -0.647 50 20 DBGD C[C@@]1(CNC(=O)CN2CCNCC2=O)C[C@H]1Br 857007624 QJJXNYKRWBUGKJ-KCJUWKMLSA-N 304.188 -0.292 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2cccc([N+](=O)[O-])c2)C1=O 860311720 CWAXORBPAMPMMA-UHFFFAOYSA-N 307.266 -0.068 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCOC(=O)N1 861576277 CLSDBEKVLLCMLK-QMMMGPOBSA-N 303.315 -0.579 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CC(=O)c2ccccc21 863464242 ABZGFHPQDKFVIQ-JTQLQIEISA-N 310.331 -0.451 50 20 DBGD CCOC(=O)[C@H](CC1CC1)NC(=O)c1cccc(B(O)O)c1 863877388 XUXHODYZZSHULV-ZDUSSCGKSA-N 305.139 -0.172 50 20 DBGD Cc1nc(N)sc1C(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 874123340 ITUHQPYVTKAVRE-UHFFFAOYSA-N 322.350 -0.805 50 20 DBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)CN1CCCC1=O 920435423 HMHSDSVSVFMJAZ-VIFPVBQESA-N 312.370 -0.693 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1 921024931 JQRGEGVIMLGCFV-ZJUUUORDSA-N 301.343 -0.758 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(OCCF)c1 1116623666 RACOYGHGOIKQEQ-UHFFFAOYSA-N 313.285 -0.497 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)/C(C#N)=C\c1cnn(C)c1 1118784481 LWEQGPYZKSYWFS-FRZIUMITSA-N 324.362 -0.745 50 20 DBGD COc1ccnc(NNC(=O)C2CCS(=O)(=O)CC2)n1 1318447752 BKLLCDHKFSLALD-UHFFFAOYSA-N 300.340 -0.247 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O 1324673236 UBIWNVYEUOVVMO-UHFFFAOYSA-N 321.255 -0.215 50 20 DBGD CC[C@H](NC(C)=O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1330574843 CWZCGJPVCHPXAD-MNOVXSKESA-N 305.400 -0.607 50 20 DBGD COC[C@@]1(C(=O)NNC(=O)c2ccccc2C)CNCCO1 1578976660 GNHSYTTZJIOUII-OAHLLOKOSA-N 307.350 -0.239 50 20 DBGD CC(C)(CO)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1589292858 XNTCWEFVJYWMTK-UHFFFAOYSA-N 304.310 -0.354 50 20 DBGD CCc1cc(Cl)cnc1NC(=O)C(=O)NNC(=O)C(=O)O 1597478154 DHNFMSAYQBJHJB-UHFFFAOYSA-N 314.685 -0.532 50 20 DBGD O=C(NCCc1ccc2c(c1)OCCCO2)NNC(=O)C(=O)O 1601512230 HXXYJGBTZWXJCD-UHFFFAOYSA-N 323.305 -0.195 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1603970114 NBFNGONUSINFPK-SSDOTTSWSA-N 304.314 -0.381 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cn1)NNC(=O)C1CCC1 1606557890 DJKAOIXJQNCPRI-UHFFFAOYSA-N 316.325 -0.379 50 20 DBGD O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843366797 PUHLSVWRNDJECE-SNVBAGLBSA-N 302.689 -0.188 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccccc1-n1cnnn1 32260801 VNCPFDKOYCDKDG-NSHDSACASA-N 302.294 -0.398 50 20 DBGD CN1C[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)CC1=O 113187339 PKTUOWVKPURTCA-VIFPVBQESA-N 315.333 -0.145 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCCCC(=O)N1 279057727 PBTNFGFROOVDCO-SNVBAGLBSA-N 321.333 -0.023 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)Nc1ccccc1C 281174748 JCAGCHRTSJPXDJ-UHFFFAOYSA-N 321.337 -0.600 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccccc2O)CC1=O 298412693 ZXVSTGMTGIIXFG-JTQLQIEISA-N 321.333 -0.352 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)N1CCCC1 299583631 RTCJBEXWOQRCKQ-LBPRGKRZSA-N 303.318 -0.240 50 20 DBGD Cc1cc(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)ccc1F 368271538 JCMZXAUQYQMICT-SECBINFHSA-N 309.297 -0.373 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 495407138 IHNUNHKQDGTMLM-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD C[C@@H]([C@@H](C)N(C)C(=O)c1cccc(B(O)O)c1)S(C)(=O)=O 584945967 MZOINDHKRXVVQU-ZJUUUORDSA-N 313.184 -0.740 50 20 DBGD OB(O)c1cccc(CNCc2nc([C@H]3CCCO3)n[nH]2)c1 585045068 AOXMNYUMEMZADB-GFCCVEGCSA-N 302.143 -0.374 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 732083565 YNXNFBMFQGZFFI-SNVBAGLBSA-N 307.354 -0.016 50 20 DBGD CC[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N(CC)CC 735996371 WRAHRWJYFGJEGX-WDEREUQCSA-N 319.427 -0.311 50 20 DBGD C[C@@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN1C 741461133 FDBPFAZVBKUBHR-MWLCHTKSSA-N 302.400 -0.057 50 20 DBGD CN1CCC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1=O 748665700 ZPIHQWAHTRQIBA-NSHDSACASA-N 305.338 -0.425 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc2cc[nH]c12 758036652 TYKDOUGISALWJQ-QMMMGPOBSA-N 324.362 -0.133 50 20 DBGD CNC(=O)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 779482470 SKQKJZITEFGVFU-RKDXNWHRSA-N 310.335 -0.349 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccc1F 779491672 SXNCHEXHXXCDRC-PELKAZGASA-N 323.324 -0.138 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(O)c1O 790621236 MPZPLAQOHHBDFV-UHFFFAOYSA-N 319.273 -0.118 50 20 DBGD COc1ccnc(NNC(=O)c2ccnc3c2nnn3C)n1 801131827 QILVQMWFWJMAJR-UHFFFAOYSA-N 300.282 -0.081 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cncc(-n2ccnn2)c1 801884214 NKBYCPSYFMQHRN-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1COCCO1 823273136 FOTHSZMMYLVTSS-NSHDSACASA-N 302.294 -0.268 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NN(C)[C@H](C)CO)cc1 823994114 YVVVJPSLSZVYJD-LLVKDONJSA-N 315.395 -0.383 50 20 DBGD O=C(O)NCCC(=O)NNc1nccc(N2CCOCC2)n1 832599583 UZFKUWYRIBWUNR-UHFFFAOYSA-N 310.314 -0.586 50 20 DBGD COC[C@H]1C[C@@H](O)CN1[C@H](C)C(=O)NNC(=O)CC(C)C 844404668 SSZVELCTDAXUGR-IJLUTSLNSA-N 301.387 -0.350 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCCS2(=O)=O)n1 847541745 IWFITEUEDWQKQB-QMMMGPOBSA-N 300.340 -0.186 50 20 DBGD NC[C@H]1OCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1 852864919 MDLBRBQRPOISQX-NXEZZACHSA-N 304.310 -0.062 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@]1(O)CCSC1 854283331 RHTLLOULJFFTFY-NSHDSACASA-N 307.441 -0.272 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1ccccn1 858092655 YVIPIDOWWVONQO-VIFPVBQESA-N 311.367 -0.367 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 858296584 QWKDHBQJHNTARO-NSHDSACASA-N 324.312 -0.057 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCCCS2)N1 858402979 PUHBSQJKLABXRD-DTWKUNHWSA-N 300.384 -0.119 50 20 DBGD COCCN(CC(F)F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695327 FKSCMWHFKUAKJJ-ZETCQYMHSA-N 308.285 -0.781 50 20 DBGD COC(=O)[C@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)CCl)C1 859304347 CFVLIKXCHXMDEA-JGVFFNPUSA-N 313.759 -0.061 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1F 861947548 ZBMPDNFJOIKUMC-VIFPVBQESA-N 322.296 -0.501 50 20 DBGD COc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862458837 DWYPELQYEIXHCG-LBPRGKRZSA-N 321.333 -0.110 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3nn[nH]c3cc2F)N1 862461455 PHVADUGKRIIULG-ZETCQYMHSA-N 306.257 -0.863 50 20 DBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 863413806 ZOINITUPUOPYMQ-MRVPVSSYSA-N 317.392 -0.047 50 20 DBGD Cc1nn(C)c2c1N(C(=O)c1ccc(B(O)O)cc1)CCO2 866516619 FKKLBCGUOJBWEN-UHFFFAOYSA-N 301.111 -0.552 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N(C)C 873989681 IFYUNPCCEBHENS-SECBINFHSA-N 313.379 -0.199 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 910170589 MWLDSZZYWIMWEP-NEPJUHHUSA-N 306.366 -0.226 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cn(C)nc1C 920384538 MUYGNLMAEVIFQJ-JTQLQIEISA-N 313.383 -0.061 50 20 DBGD N#Cc1ccc(NCC(=O)NNC(=O)CN2CCCC2=O)cc1 920805897 UWNPKMKWPODNBM-UHFFFAOYSA-N 315.333 -0.260 50 20 DBGD O=C(CCc1ncc[nH]1)NNC(=O)CNC(=O)c1cccnc1 1117395938 HHXAUXMZKLCKKL-UHFFFAOYSA-N 316.321 -0.685 50 20 DBGD CO[C@@H](C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1251620057 RJGRMQWTMIKKIN-JTQLQIEISA-N 307.354 -0.125 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN2CCC[C@@H]2C1 1318093589 PMYBAJIUFITXPB-VXGBXAGGSA-N 323.397 -0.434 50 20 DBGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C2 1327533475 QQVJHZNGWJOWAD-LLVKDONJSA-N 319.365 -0.476 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc2c(nc1O)CCC2 1331737329 XLGFJNMDNBPTKI-UHFFFAOYSA-N 313.335 -0.919 50 20 DBGD CCCn1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)c1C 1353554082 NBUJJFUKRWVMTG-UHFFFAOYSA-N 307.354 -0.015 50 20 DBGD C[C@H](CO)N(C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 1589883104 WTRXYMYERSXIET-SECBINFHSA-N 306.326 -0.411 50 20 DBGD Cc1onc(CC(=O)NNC(=S)NC(C)C)c1-c1nn[nH]n1 1592516309 IATPPLSIOYWMMX-UHFFFAOYSA-N 324.370 -0.391 50 20 DBGD O=C(CNCC(F)(F)F)NNc1ccc(-c2nn[nH]n2)cn1 1592871622 QPSVCYQPQGLPAI-UHFFFAOYSA-N 316.247 -0.143 50 20 DBGD O=C(O)CCCCC(=O)NNC(=O)CNC(=O)c1ccco1 1595032634 BTZXTJLZTWJOFC-UHFFFAOYSA-N 311.294 -0.198 50 20 DBGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1781213319 MTXAHWSMKBPRGX-MFKMUULPSA-N 303.790 -0.208 50 20 DBGD CN1CCC[C@@H]1CNC(=O)NNC(=O)CNC(=O)c1ccco1 263665630 BAODODVHYKXLNS-SNVBAGLBSA-N 323.353 -0.566 50 20 DBGD CS(=O)(=O)CCCC(=O)NNC(=O)c1ccccc1O 264646746 DCSSMMWWYIJSJB-UHFFFAOYSA-N 300.336 -0.022 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)o1 267870530 UMAJARYBEOLUHC-UHFFFAOYSA-N 303.340 -0.323 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1nc2ccccn2n1 273651134 YBNWMGUZLJADJR-SECBINFHSA-N 322.325 -0.067 50 20 DBGD C[C@H]1Oc2c(cccc2C(=O)NNC(=O)C(C)(C)O)NC1=O 276217332 HUUGEIMIDLLPMX-SSDOTTSWSA-N 307.306 -0.062 50 20 DBGD O=C(Cc1ccc2[nH]ncc2c1)NNC(=O)C(=O)N1CCCC1 279843344 RCSIIDNDMVBCCL-UHFFFAOYSA-N 315.333 -0.125 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccncc1 365884073 HWUNHVUMMULXMA-JTQLQIEISA-N 314.305 -0.381 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1)c1cncn1-c1ccccc1 367626052 MTMZTBUYDRZPGQ-GFCCVEGCSA-N 315.333 -0.378 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cn1 491162017 QELREPKIZYAWKK-JXDHDYMSSA-N 323.378 -0.523 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCn1ccnc1 494741966 IRKPTYATAYGXKD-UHFFFAOYSA-N 311.342 -0.055 50 20 DBGD C[C@H](Cc1cnn(C)c1)NC(=O)c1cc(B(O)O)ccc1F 584996387 GPZCSLLAXFZKJR-SECBINFHSA-N 305.118 -0.400 50 20 DBGD O=C(C1CC1)N1CCC(NCc2ccccc2B(O)O)CC1 585012812 PWJHBWIXORWNSB-UHFFFAOYSA-N 302.183 -0.143 50 20 DBGD COC[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 726081779 DUGXFSKBOQHBFL-MRVPVSSYSA-N 314.367 -0.157 50 20 DBGD COc1cccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1O 728437195 MWCXXNAZGHSBFZ-MRVPVSSYSA-N 315.351 -0.211 50 20 DBGD C[C@@H](C(=O)NNC(=O)COc1ccccc1O)S(C)(=O)=O 730778184 DCVJRFAMADUVLI-QMMMGPOBSA-N 316.335 -0.649 50 20 DBGD Cn1c(CC(=O)NNC(=O)C2(C(N)=O)CC2)nc2ccccc21 731597798 RUQIABQPKYULMV-UHFFFAOYSA-N 315.333 -0.471 50 20 DBGD CN(CC(=O)NNC(=O)C1CC1)Cc1cccc(C(N)=O)c1 733194267 FLKQZDKVACITJF-UHFFFAOYSA-N 304.350 -0.225 50 20 DBGD O=C(NNC(=O)C(F)(F)C(F)F)N[C@H]1CCS(=O)(=O)C1 749355236 NXWBTWPAIRZCPL-BYPYZUCNSA-N 321.252 -0.596 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(O)cc1C 766318266 IBRVPTGTNVSOMY-UHFFFAOYSA-N 304.284 -0.269 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 768243194 AWXQMRVKGORDJJ-MRXNPFEDSA-N 321.377 -0.458 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 773633909 JOCIJCRLDWVEHC-QMMMGPOBSA-N 314.342 -0.863 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccnc1-n1cncn1 775585041 BNYDBWIFKLJDEL-UHFFFAOYSA-N 304.314 -0.623 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ncncc1Cl 780987590 QIWAABDPRPWRFR-UHFFFAOYSA-N 322.778 -0.305 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)n1 786694621 WSBKLROWOGRHMY-RYUDHWBXSA-N 321.381 -0.061 50 20 DBGD Cn1cc(C(=O)CCC(=O)NNC(=O)c2cnn(C)c2)cn1 793527992 UFYAQSONFQMIJQ-UHFFFAOYSA-N 304.310 -0.422 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@@](C)(C(N)=O)C2)cc1 796579642 FPIDMQVLENVGEL-MRXNPFEDSA-N 318.377 -0.047 50 20 DBGD CCOC(=O)COc1ccc(NC(=O)NNC(=O)CO)cc1 800562012 PDYQPYITPCDHSP-UHFFFAOYSA-N 311.294 -0.227 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)CC1 801106489 XDPKSBHNAGUEMI-UHFFFAOYSA-N 318.333 -0.393 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccn(CC(F)F)n2)CC1 807382986 XPSAKCMOOQVCKU-UHFFFAOYSA-N 316.312 -0.250 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CCn1ncn(C)c1=O 815952385 JLOZKZIOLULINM-UHFFFAOYSA-N 319.321 -0.098 50 20 DBGD CS(=O)(=O)N1CCc2cc(C(=O)NNc3nc[nH]n3)ccc21 816632931 FXYNKXNZUVIZGL-UHFFFAOYSA-N 322.350 -0.116 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CNc1ccc(S(C)(=O)=O)cc1 823913496 VQKWXHQNZNZLMO-JTQLQIEISA-N 315.395 -0.154 50 20 DBGD C[C@H](CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)O 827442755 QZXHDPLATGOPPZ-SNVBAGLBSA-N 318.333 -0.028 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)Cc1nonc1C 854388571 PLLJPPZHWGFUPZ-UHFFFAOYSA-N 300.315 -0.143 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 858340975 UKLGGFLYQDDUNC-NEPJUHHUSA-N 320.349 -0.017 50 20 DBGD CCC1(Cn2cc(C(=O)NNC(=O)c3cn[nH]c3)nn2)COC1 862470037 XSOOJCXNQVEREC-UHFFFAOYSA-N 319.325 -0.497 50 20 DBGD N#CCN1CCC(CNC(=O)c2ccc(B(O)O)cc2)CC1 863874440 VKYWPVIGVFCNLX-UHFFFAOYSA-N 301.155 -0.668 50 20 DBGD O=C(CN1CSCCSC1)NNC(=O)[C@@H]1CCC(=O)N1 912977028 FEWNMAGSNMSMNL-QMMMGPOBSA-N 318.424 -0.891 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1 1118573151 ZNWLNLMGEXFGFZ-UHFFFAOYSA-N 312.370 -0.388 50 20 DBGD O=C(CCc1ccc2c(c1)CCO2)NNC(=O)[C@@H]1CCC(=O)N1 1118944116 UHSHVJOVCAGROX-LBPRGKRZSA-N 317.345 -0.020 50 20 DBGD Cc1cc(NC(=O)NNC(=O)CO)ccc1N1CCN(C)CC1 1320238185 OQAGZMDOXLYIBF-UHFFFAOYSA-N 321.381 -0.108 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)cn(C)c1=O 1321153619 AMXHXPKMNVHRKF-UHFFFAOYSA-N 320.349 -0.030 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1ccc2c(c1)OCO2 1321993711 AMOKCGSFWGKZFQ-UHFFFAOYSA-N 323.305 -0.671 50 20 DBGD CNC(=O)CCOc1ccc(NC(=O)NNC(=O)CCO)cc1 1323985951 NBAPJBIAQBKXJM-UHFFFAOYSA-N 324.337 -0.263 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 1325519133 FBAZYBNWRPBZNO-UHFFFAOYSA-N 317.305 -0.455 50 20 DBGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1325519451 JORWTQJRQAKSQD-UHFFFAOYSA-N 305.290 -0.833 50 20 DBGD CNC(=S)N(C)NC(=O)CCn1cnc2c(N)ncnc21 1330862657 NABHVHIUFADAIO-UHFFFAOYSA-N 308.371 -0.734 50 20 DBGD CCOCc1nc(C)cc(NNC(=O)[C@@H]2CNCCN2C)n1 1578126752 BVTQLTQVWWWZRF-NSHDSACASA-N 308.386 -0.332 50 20 DBGD NCC1(C(=O)NNC(=O)COc2ccc(F)cc2)CC(O)C1 1580236170 STJWIVKVQOVFHE-UHFFFAOYSA-N 311.313 -0.548 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)c1cnn([C@@H]2CCCNC2)c1 1580737277 NCFOXWASHKVXOD-SNVBAGLBSA-N 303.326 -0.395 50 20 DBGD CN1CCC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1=O 1604856551 RTMCMTDAXSVDBA-SECBINFHSA-N 316.325 -0.427 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)oc(=O)n2C 156001148 SLNFOFKQZVORFQ-UHFFFAOYSA-N 307.310 -0.154 50 20 DBGD CCOC(=O)C1(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 266870723 XQCPBYXPRANRLN-UHFFFAOYSA-N 323.305 -0.500 50 20 DBGD COCCN1C[C@H](C(=O)NNc2nc(C)cc(OC)n2)CC1=O 266885944 DBOQBHAZMBXBIH-SNVBAGLBSA-N 323.353 -0.268 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCCC(N)=O 280259011 NPNDKCFNVTYDNS-MRVPVSSYSA-N 316.358 -0.297 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1cccnn1 280345398 QJBXEKNNSWDDLL-CQSZACIVSA-N 303.322 -0.159 50 20 DBGD C[C@](O)(C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1 288406213 QMRUSXUJOXYGFI-CQSZACIVSA-N 316.321 -0.416 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-n3cncn3)nc2)O1 293904227 LSSJVPOEBFZGFW-ONGXEEELSA-N 316.321 -0.009 50 20 DBGD C[C@H](C(=O)NNC(=O)N(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 299393824 SFILICJMLNVTCI-UTLUCORTSA-N 310.354 -0.148 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)OC(C)(C)C 495670828 FEEVHBOLUSOMDZ-UHFFFAOYSA-N 302.375 -0.001 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)cc1OC 496819173 LRHXZIJYQYFULE-RDDDGLTNSA-N 323.305 -0.038 50 20 DBGD O=C(NCCCCn1cnnc1)c1ccc(B(O)O)c(F)c1 584954345 FPPVOOUGUVFPCH-UHFFFAOYSA-N 306.106 -0.693 50 20 DBGD CC[C@H](NCc1ccccc1B(O)O)C(=O)N1CCOCC1 585026757 RQDQKIAFCLYCLV-AWEZNQCLSA-N 306.171 -0.907 50 20 DBGD Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1C(N)=O 585058090 SPZTTWNHDCDDKO-SECBINFHSA-N 312.156 -0.669 50 20 DBGD O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@H](B(O)O)C1 585074566 BCASHDSLSCPNKF-OLZOCXBDSA-N 323.202 -0.011 50 20 DBGD O=C(NNC(=O)[C@@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 728381977 SKAVQNFUIBKWON-RITPCOANSA-N 315.178 -0.238 50 20 DBGD Cn1c(NNC(=O)Cn2cnnn2)nc2ccccc2c1=O 733261594 GXKSDPYZKSRNAC-UHFFFAOYSA-N 300.282 -0.937 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2cnn(C)c2)CC1 746666888 CITNIXHVAKPYGB-LLVKDONJSA-N 308.386 -0.512 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@H]1CCCCS1(=O)=O 753272092 LNWSGFSOMFPTDD-SECBINFHSA-N 307.372 -0.679 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1OC 766259643 BXKXAEYKTYGISI-UHFFFAOYSA-N 306.278 -0.701 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 768260830 XMXUOKCJTBTNRH-SNVBAGLBSA-N 305.334 -0.042 50 20 DBGD O=C1COc2ncc(C(=O)NNC(=O)N3CCOCC3)cc2N1 770718018 BVBRNEVHNQDZFD-UHFFFAOYSA-N 321.293 -0.901 50 20 DBGD CNC(=O)[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCO1 782098848 OXVIFMIBBPJFNO-MNOVXSKESA-N 314.386 -0.985 50 20 DBGD C#CCOCCNC(=O)NNC(=O)Cc1cn2ccccc2n1 784553018 HSKFCQBWFVPQPW-UHFFFAOYSA-N 315.333 -0.143 50 20 DBGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)CO)C2)c1 792659190 ZVEXWQDMLJHEHV-GFCCVEGCSA-N 323.305 -0.664 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCC(F)(F)C1 795080569 LEMKDZBHLFUKLB-NKWVEPMBSA-N 313.326 -0.493 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CCOC1 826445570 ZOBLXPYYDBFPOH-SNVBAGLBSA-N 317.309 -0.400 50 20 DBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826810035 SCDLLPDORYMWLO-ZJUUUORDSA-N 321.399 -0.435 50 20 DBGD CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860937525 DFTZFZDYJFLYEI-MRVPVSSYSA-N 307.310 -0.088 50 20 DBGD O=C(Cc1ccc2c(c1)COC2)NNC(=O)[C@@H]1CCC(=O)N1 862459978 CLSYWWKCXQFAFB-LBPRGKRZSA-N 303.318 -0.315 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc(O)ncn2)C[C@@H](C)O1 863854329 MHMOVNARZPSTCX-AOOOYVTPSA-N 323.353 -0.558 50 20 DBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C1=COCCO1 913155446 OEPMVDYXPLPHFO-UHFFFAOYSA-N 316.277 -0.689 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1 1118784484 LWEQGPYZKSYWFS-WHKYXBHASA-N 324.362 -0.745 50 20 DBGD Cn1cc(N2CC[C@@H](NC(=O)c3cccc(B(O)O)c3)C2)cn1 1261852297 YPQHVQFHFVQYMX-CYBMUJFWSA-N 314.154 -0.891 50 20 DBGD CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)C(=O)OC 1319580286 MCKQYILZSAPMPH-UHFFFAOYSA-N 311.342 -0.452 50 20 DBGD C[C@H]1CN(C(=O)C(=O)NNC(=O)CCO)c2ccccc2O1 1320241471 UKLVUEUFVDPFDN-VIFPVBQESA-N 307.306 -0.670 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 1322055524 VATBTXNMPIVRHA-QMMMGPOBSA-N 314.319 -0.322 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCCc1cnccn1 1323424869 BZFZOTLXNDJBQA-UHFFFAOYSA-N 300.322 -0.013 50 20 DBGD Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1334929873 FPXJLLROVAEBOO-VIFPVBQESA-N 303.326 -0.013 50 20 DBGD CC[C@H]1NCC[C@@H]1NC(=O)NNC(=O)c1ccc(=O)n(C)c1 1578238744 JTTPVCHZWASTHQ-MNOVXSKESA-N 307.354 -0.530 50 20 DBGD O=C(NCc1cccc2c1CCNC2)c1cccc(B(O)O)c1 1580720075 LTEWFMZOOLMMPZ-UHFFFAOYSA-N 310.162 -0.058 50 20 DBGD O=C(NNC(=O)c1csc(-c2nn[nH]n2)c1)c1cn[nH]c1 1582561500 IHXCCBWMUIAISD-UHFFFAOYSA-N 304.295 -0.274 50 20 DBGD CC[C@H](CNC(=O)NNC(=O)[C@@H](C)OCCOC)C(=O)O 1589538185 DMKPDQMEMZJOJN-RKDXNWHRSA-N 305.331 -0.521 50 20 DBGD COC(=O)C[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591258097 ZBAWHJACYURLGM-ZETCQYMHSA-N 305.298 -0.096 50 20 DBGD CC1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc2O1 1593981667 IXDLFVJCFXTVEJ-UHFFFAOYSA-N 323.261 -0.636 50 20 DBGD C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)C(=O)O 1594542450 NSEUAZJDBRSJEL-PWSUYJOCSA-N 320.349 -0.078 50 20 DBGD CC[C@@](COC)(NCC(=O)NNC(=O)C(C)(C)C)C(=O)O 1595193875 CJHBHPARXRUSJF-ZDUSSCGKSA-N 303.359 -0.351 50 20 DBGD O=C(Cn1c(O)nnc1O)NNc1cccc(C(=O)O)c1F 1601378999 QJVMDNXYLNRQKG-UHFFFAOYSA-N 311.229 -0.330 50 20 DBGD O=C(NCc1ccc(C(=O)O)s1)NNC(=O)c1ncon1 1601536785 MGZDREFZMSUBML-UHFFFAOYSA-N 311.279 -0.027 50 20 DBGD O=C(C[C@@H]1CCC(=O)N1)NNc1ccc(-c2nn[nH]n2)cc1 1606496925 OHQNUNLIUSRUMB-JTQLQIEISA-N 301.310 -0.022 50 20 DBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786795771 PKNAUDWFELKSHN-YFKTTZPYSA-N 317.817 -0.058 50 20 DBGD C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1791051600 XBVCXBSODCLBMY-AJBSGBCOSA-N 322.764 -0.119 50 20 DBGD C/C(=C\C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 48953027 HRDYIBYPBYSMPE-PCGIRMHASA-N 301.368 -0.140 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(O)c1 63096504 HYTVAXZWPMSTSI-MRVPVSSYSA-N 315.351 -0.601 50 20 DBGD CNC(=O)CCCN(C)CC(=O)NNC(=O)c1cccs1 155343940 XNCFDBVPEQMATH-UHFFFAOYSA-N 312.395 -0.033 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCC2)cs1 264804468 UTZBHDQRJBKBHJ-UHFFFAOYSA-N 303.365 -0.043 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1=O 273414229 ISGYWWDFOQNJLU-UHFFFAOYSA-N 322.340 -0.249 50 20 DBGD COCCN1C[C@H](C(=O)NNc2nccc(OC)n2)CC1=O 298264943 AKFYVJKXPSNJDC-SECBINFHSA-N 309.326 -0.577 50 20 DBGD Cc1nc(C(=O)NNC(=O)c2ccccc2)nn1-c1nc[nH]n1 361142641 MTAVRLDXPLDOED-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD O=C1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)[C@H](C2CC2)N1 584987717 TVTNUXPBIOZBOM-JSGCOSHPSA-N 320.129 -0.708 50 20 DBGD Cn1c(N)c(C=NNC(=O)c2ccc(O)cc2)c(=O)n(C)c1=O 749808607 WZCZLCQCBWIXQP-UHFFFAOYSA-N 317.305 -0.864 50 20 DBGD COC[C@](C)(CC(=O)OC)NCC(=O)NNC(=O)C(C)(C)C 755978932 MZDTWOHABQZUQE-AWEZNQCLSA-N 317.386 -0.262 50 20 DBGD O=C(CO)NNC(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 764422482 SITHWGZNMGYQNE-JTQLQIEISA-N 318.333 -0.858 50 20 DBGD CC(=O)NCC(=O)OCC(=O)NNC(=O)Cc1ccccc1C 764484898 BOMVIWHZCVUPNN-UHFFFAOYSA-N 321.333 -0.636 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)N1CCCC1=O 772163722 DBDCQYKATVBOBG-ZJUUUORDSA-N 313.354 -0.124 50 20 DBGD COc1ncc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)s1 812225555 IGOFLLZETWOSSM-LURJTMIESA-N 306.369 -0.461 50 20 DBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 819846375 BNHTUHGQBVKNCU-CYBMUJFWSA-N 322.277 -0.839 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H]2CO)cc1 822868142 UQVDBZHHOJQAOO-ZDUSSCGKSA-N 302.334 -0.224 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)s1 826138448 VIYDDNZOJDVSQV-UHFFFAOYSA-N 309.311 -0.266 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(=O)N(CC2CC2)C1 827273843 JFTDLWFRNPYXQY-GXSJLCMTSA-N 310.354 -0.336 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN2CC(F)(F)C[C@H]2C1 828767258 SHTHVEGNAKFJPH-ZJUUUORDSA-N 304.341 -0.043 50 20 DBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)N1CCN(C)CC1 830240602 DTEVAXZVGIDKQH-LLVKDONJSA-N 307.354 -0.163 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 839482387 AABWZUDMJFQUKQ-GHMZBOCLSA-N 308.294 -0.080 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nc1C 842591243 XIVJHMGRPHRHDM-SCZZXKLOSA-N 316.383 -0.054 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1 852132180 LCNHJBNRWWLCFK-JTQLQIEISA-N 324.360 -0.316 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2COCc3ccccc32)N1 858702817 OFSOAAQYUPLJSP-RYUDHWBXSA-N 318.333 -0.133 50 20 DBGD O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 862455192 ZRLLKAPBDBQVGY-ONGXEEELSA-N 316.317 -0.462 50 20 DBGD O=Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862455751 QPKJOYIBNBYRNP-LLVKDONJSA-N 305.290 -0.696 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 863467161 PFZQXLBEGGRQLS-KGYLQXTDSA-N 308.359 -0.236 50 20 DBGD C#CC[C@H](CCOC)NC(=O)NNC(=O)C(=O)N1CCCC1 875920207 XRVRWQNWEWFZLT-LLVKDONJSA-N 310.354 -0.632 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)CN2CCNC(=O)C2)cc1 911878145 VIGPREGVLQXPKI-UHFFFAOYSA-N 320.349 -0.723 50 20 DBGD N#Cc1nc(N)n(CC(=O)NNC(=O)c2cccs2)c1C#N 912860903 KZVQQOHSGSZIQG-UHFFFAOYSA-N 315.318 -0.269 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc[n+]([O-])cc2)C[C@@H](C)O1 912924705 HBWCWDMGANIXMZ-TXEJJXNPSA-N 322.365 -0.420 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](S(C)(=O)=O)CC1 1116928001 HIMNLBBIBDOZJR-QWRGUYRKSA-N 319.427 -0.169 50 20 DBGD O=C(COC[C@H]1CCCO1)NNC(=O)C(=O)Nc1ccccn1 1319094673 JHVWLERPNVGVDG-SNVBAGLBSA-N 322.321 -0.637 50 20 DBGD CSCCNC(=S)NNC(=O)c1nccnc1C(N)=O 1319841383 CXHDZXPJAJKGPH-UHFFFAOYSA-N 314.396 -0.953 50 20 DBGD COC(=O)C(=O)NN=C1C(=O)N(CCN(C)C)c2ccccc21 1323389624 DFDUTHBICWLBQC-UHFFFAOYSA-N 318.333 -0.412 50 20 DBGD CCN1CCO[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1 1324133137 IQWPLNJOTBCUGQ-VIFPVBQESA-N 321.341 -0.767 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1 1325519971 SMQJCUWLURJTMC-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD CN(C)N(C(=O)CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1326341216 YGSSZDNIVZLOCL-GFCCVEGCSA-N 314.411 -0.155 50 20 DBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NN(C)[C@H](C)CO)c2C1 1332471333 VPNSDQROTWCBNQ-PWSUYJOCSA-N 323.397 -0.461 50 20 DBGD O=C(NC[C@H]1COC2(CCOCC2)O1)NNC(=O)c1ccc[nH]1 1341891313 SQJMCFVWJRXVHU-JTQLQIEISA-N 324.337 -0.119 50 20 DBGD O=C(Cc1cccc2c1CCNC2)NNC(=O)N1CCOCC1 1580574426 QNIQOWNGTHGKIL-UHFFFAOYSA-N 318.377 -0.052 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 1588869987 OFRFTRTZCBBBKA-UHFFFAOYSA-N 307.245 -0.888 50 20 DBGD O=C(O)COCCNC(=O)NNC(=O)c1cccc(F)n1 1602080094 XJXHLTVRHFZTDT-UHFFFAOYSA-N 300.246 -0.734 50 20 DBGD CCN(C)C(=O)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 1604268867 WJPFFEQPGCCCKS-UHFFFAOYSA-N 318.341 -0.029 50 20 DBGD O=C(C[C@H]1CCC(=O)N1)NNc1ccc(-c2nn[nH]n2)cc1 1606496926 OHQNUNLIUSRUMB-SNVBAGLBSA-N 301.310 -0.022 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)C(=O)NC(C)C)c(C)c1C(=O)O 1607490861 BTZLSXFUGJTTDC-UHFFFAOYSA-N 310.310 -0.385 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1ccc(F)c(C(=O)O)c1 1608377188 PUWLGCUVMWFNDH-UHFFFAOYSA-N 322.252 -0.071 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1609445009 FXQYBIJZHACEJT-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2cccnn2)C1 1844436526 NWSDTEFCROOOEB-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD O=C(NCCCOC1CCCC1)NNC(=O)C(=O)NC1CC1 64241788 AWSYOFWCFLZRFN-UHFFFAOYSA-N 312.370 -0.055 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)c1O 267994951 LIVPUCAYNXHSHZ-LLVKDONJSA-N 309.322 -0.508 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1ccnc(F)c1 272747465 NCGWGHXBHBMRHC-UHFFFAOYSA-N 320.346 -0.380 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 276302228 OBSSUPJHKQGGQW-UHFFFAOYSA-N 319.317 -0.303 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)OC 285460663 ANUOMBKJUFSBFJ-VHSXEESVSA-N 313.354 -0.362 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C[C@@H]1CCCC(=O)N1 289943354 OMRFPLVTBSYNOM-JTQLQIEISA-N 321.333 -0.023 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 495326970 UNGBFPCIAATLDA-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)c(OC)c1 496574492 XLCZBKKYYUPUJU-RDDDGLTNSA-N 323.305 -0.038 50 20 DBGD CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584985610 NRIDZULGMUPITJ-LBPRGKRZSA-N 304.155 -0.645 50 20 DBGD CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(B(O)O)cc1 584992087 HTEMRVCWVJSKCD-LLVKDONJSA-N 306.171 -0.351 50 20 DBGD OB(O)c1ccc(CN[C@H]2CCN(c3ncccc3F)C2)o1 585028408 JNAKNDUPFBIQFC-JTQLQIEISA-N 305.118 -0.138 50 20 DBGD Cn1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)n1 727350397 XVIDCUAKIKPXMJ-UHFFFAOYSA-N 324.318 -0.228 50 20 DBGD COc1ccc(CC(=O)NNC(=O)CN(C)C)cc1[N+](=O)[O-] 733359265 JVZYDJVXUAMRDQ-UHFFFAOYSA-N 310.310 -0.145 50 20 DBGD CCc1c(C(=O)NNC(=O)CNC(=O)c2ccco2)cnn1C 751201234 GQBDGEHUSUVHFJ-UHFFFAOYSA-N 319.321 -0.234 50 20 DBGD Cc1cc(Cl)ncc1NC(=O)C(=O)NNC(=O)CN(C)C 764204796 ZMHQBIRKXDPLTK-UHFFFAOYSA-N 313.745 -0.309 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1=COCCO1 771875043 MPWLCHRHXRICNA-VIFPVBQESA-N 300.311 0.000 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccccc1OCCC(N)=O 775532535 FKSKFOIFTDLBCJ-UHFFFAOYSA-N 323.353 -0.345 50 20 DBGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CO)c1 777781170 JCWKGKFCOHRQOY-UHFFFAOYSA-N 321.742 -0.999 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCOC2CCOCC2)CC1 788167109 UZRAFTKGVKCLEO-UHFFFAOYSA-N 314.386 -0.440 50 20 DBGD O=C(NNC(=O)c1n[nH]c2c1CCCCC2)C(=O)NC1CC1 789733815 ZNHZYJMHNPMGQW-UHFFFAOYSA-N 305.338 -0.282 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCO[C@@H]2C[C@@H]21 814294875 OVPZEZSQJMFWQW-DTWKUNHWSA-N 324.362 -0.308 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNc1ncncc1F 814305781 NPJDSRGLBKMTHC-UHFFFAOYSA-N 321.334 -0.697 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H](C(=O)O)[C@H](C)C1 814835070 GDICBYRWRJJNCM-WEDXCCLWSA-N 319.383 -0.083 50 20 DBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)NC1CC1 823103846 MNONEXWFGGQLAE-UHFFFAOYSA-N 301.310 -0.098 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(S(N)(=O)=O)o1 842550584 ZIRFCPRKFNGRRV-CBAPKCEASA-N 301.324 -0.198 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)[C@H]2CCO[C@@H]2C)nn1 842558424 XOZZOFMIUGMEQN-ZJUUUORDSA-N 309.326 -0.284 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 844264381 BYCMRGHGQHKEHM-JTQLQIEISA-N 311.363 -0.319 50 20 DBGD COc1ccc(C(=O)NNC(=O)C[C@H]2CC(=O)N2)cc1OC 854180065 IFEUDIALUXQBNU-SECBINFHSA-N 307.306 -0.257 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H]1[C@H]1CCCO1 858701654 YFRCUTSOBVZCCB-UMNHJUIQSA-N 324.381 -0.105 50 20 DBGD N#Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862453365 UGEDSSAUFXRXNJ-LLVKDONJSA-N 301.306 -0.604 50 20 DBGD COc1ccc2c(c1F)NC(=O)C2=NNC(=O)[C@@H]1CCC(=O)N1 863149554 BXACCVLHMSZJFW-ZETCQYMHSA-N 320.280 -0.115 50 20 DBGD Cc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1F 863413466 QWZPNKQGVOVEJV-MRVPVSSYSA-N 315.326 -0.278 50 20 DBGD CN(C)N(C(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)[C@@H]1CCS(=O)(=O)C1 908278722 KIERTAIWAJAZQU-CNVPUSNMSA-N 300.380 -0.296 50 20 DBGD Cn1cc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cn1 1318174256 BQDFZHUDFFUUON-UHFFFAOYSA-N 320.309 -0.727 50 20 DBGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)C2CCC2)CC1 1318433935 MCNNQTANCLRTIM-UHFFFAOYSA-N 303.384 -0.395 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCO[C@H](C)C1 1325965811 UWVDPBFCFLWTEX-WOPDTQHZSA-N 314.386 -0.538 50 20 DBGD O=C(NNC(=O)c1cccnn1)N[C@@H]1CCN(CC2CC2)C1 1330832539 RITRCHVHRDGEIC-LLVKDONJSA-N 304.354 -0.095 50 20 DBGD Cc1c(Cl)c(C(=O)NNC(=O)CS(C)(=O)=O)nn1C 1331737211 VKPRCRNSAUVDNY-UHFFFAOYSA-N 308.747 -0.812 50 20 DBGD CC[C@H](CNC(=O)NNC(=O)[C@H](C)OCCOC)C(=O)O 1589538182 DMKPDQMEMZJOJN-DTWKUNHWSA-N 305.331 -0.521 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1590334614 KWCCBUCMKIMKQY-IMTBSYHQSA-N 303.282 -0.193 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H]2C(=O)O)cc1 1594617941 TYKMITDYLREIPP-LBPRGKRZSA-N 316.317 -0.132 50 20 DBGD Cn1nc(NC(=O)NNC(=O)c2ccccn2)cc1C(=O)O 1601015025 SDHIZXVCPYTCCU-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD O=C(CN[C@H](Cc1cncs1)C(=O)O)NNC(=O)C1CC1 1601324468 XFDYLGRDHNTHKB-SECBINFHSA-N 312.351 -0.714 50 20 DBGD O=C(NCc1ncnn1-c1ccccc1)NNC(=O)C(=O)O 1608478561 YOBZRMKJLBPCDK-UHFFFAOYSA-N 304.266 -0.818 50 20 DBGD Cc1coc2ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc12 1610543427 JAKKSRRLPYTBDC-UHFFFAOYSA-N 305.246 -0.088 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NCCNS(C)(=O)=O 45860708 DHTXQICZJALDFF-UHFFFAOYSA-N 314.367 -0.512 50 20 DBGD CCN(CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CC1 102065461 JIWASXNNINRLMT-ZDUSSCGKSA-N 318.443 -0.148 50 20 DBGD C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC=C(C#N)CC1 272643329 LVYJIADXOFEFCR-SECBINFHSA-N 317.349 -0.607 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1=CCCCC1 273515626 RRDSHPCOIZDROC-VIFPVBQESA-N 303.384 -0.038 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)CN1CCCC1=O 299268853 ZSJMUNMEQJQJAI-UHFFFAOYSA-N 307.306 -0.459 50 20 DBGD O=C(NCCNC(=O)C1CCCC1)c1cccc(B(O)O)c1 584937260 QYQMRHUEDNDGOR-UHFFFAOYSA-N 304.155 -0.597 50 20 DBGD CN1CC[C@@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)C[C@H]21 584970433 CAPBWZRVPNUPQY-QMTHXVAHSA-N 306.146 -0.328 50 20 DBGD O=C1C[C@@H](NCc2ccc(B(O)O)o2)CN1C1CCCCC1 585035387 SGODLKVAXHTWLV-LLVKDONJSA-N 306.171 -0.017 50 20 DBGD COC[C@@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CCOC1 585053150 CAEQUHNMMVGOIC-AWEZNQCLSA-N 304.111 -0.279 50 20 DBGD N#Cc1cccc(C(=O)NNC=C2C(=O)NC(=S)NC2=O)c1 728981559 ANAVDKHNCMLUAR-UHFFFAOYSA-N 315.314 -0.793 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 731879562 NDQVDIQIZIBVEN-ZANVPECISA-N 323.378 -0.067 50 20 DBGD O=C(CCOCC(F)(F)F)NNC(=O)C(=O)N1CCCC1 748240932 LXZDTYBFSALJMG-UHFFFAOYSA-N 311.260 -0.275 50 20 DBGD Cc1cc(F)ccc1NNC(=O)CN1C(=O)C(=O)N(C)C1=O 748548724 HLSKGKKNVCAZIR-UHFFFAOYSA-N 308.269 -0.002 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)S(C)(=O)=O 754102530 WHVBCEODKLUUHC-VIFPVBQESA-N 324.362 -0.065 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)o1 776333777 YXRDPRAKLBXQPN-UHFFFAOYSA-N 310.310 -0.609 50 20 DBGD O=CN1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 781559828 SZWBTSSTTSBCAC-UHFFFAOYSA-N 322.340 -0.249 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C 804125303 AVPOLLASLBAJSM-MRVPVSSYSA-N 302.331 -0.878 50 20 DBGD COCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 821687796 PEUNKECNTPBCFV-UHFFFAOYSA-N 308.302 -0.825 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NN(C)[C@@H](C)CO)c1 823946916 PKOJVJVETBTULB-NSHDSACASA-N 309.366 -0.302 50 20 DBGD O=C1CSC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)N1 825518540 ARYLRJVKYFNDEV-BYPYZUCNSA-N 301.246 -0.462 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H](C)O1 839472967 AOKYIFUIPHFRBS-GWOFURMSSA-N 314.342 -0.702 50 20 DBGD CNCCCN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 842478815 KTZFEQNGHFSZPR-UHFFFAOYSA-N 323.353 -0.103 50 20 DBGD CCn1ccc(CC(=O)NNC(=O)CNC(=O)c2ccco2)n1 844362901 GARZAQIYQSTHSG-UHFFFAOYSA-N 319.321 -0.384 50 20 DBGD O=C(NNc1nccnc1C1CCC1)[C@@H]1CCS(=O)(=O)N1 846154142 KNCLNZHCSKJQFD-VIFPVBQESA-N 311.367 -0.121 50 20 DBGD COC[C@@H](OC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 850196556 ZKOPAHFADPLIGH-GFCCVEGCSA-N 324.333 -0.039 50 20 DBGD Cc1nn(CCC(=O)NNC(=O)c2cc[nH]n2)c(C)c1[N+](=O)[O-] 855358241 COJOQJZIUZVARG-UHFFFAOYSA-N 321.297 -0.017 50 20 DBGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cc[nH]n1)CS2 855362664 TXJUSHRNROPLGN-QPUJVOFHSA-N 309.351 -0.375 50 20 DBGD Cc1nn(CC(=O)NNC(=O)c2cccc(Cl)n2)c(=O)n1C 857324656 JNIXLLOMUAMLMY-UHFFFAOYSA-N 324.728 -0.600 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2COc3ccccc3C2)N1 858694544 QWSBGJJYQVXVSN-QWRGUYRKSA-N 318.333 -0.401 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NN[C@H](C)C(F)(F)F 862314837 KPUBRQJIWVBGQR-SSDOTTSWSA-N 321.321 -0.486 50 20 DBGD O=C(Cc1n[nH]c2ccccc12)NNC(=O)[C@H]1CCC(=O)N1 862452987 PZRPZPHNUISXCV-SNVBAGLBSA-N 301.306 -0.469 50 20 DBGD CC(C)CCn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nn1 862455816 RISKUGDQOHXRSN-VIFPVBQESA-N 308.342 -0.636 50 20 DBGD Cn1nc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c2ccccc21 862461190 OFJVIWDCNJHINP-SNVBAGLBSA-N 315.333 -0.458 50 20 DBGD C/C=C/C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCC 863879481 UFEAWQGMERNARE-MASHWEEQSA-N 305.139 -0.006 50 20 DBGD COC(=O)[C@]1(C)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 863885285 HJRAWFMLBCUOMG-OAHLLOKOSA-N 305.139 -0.218 50 20 DBGD O=C(N[C@@H]1CCn2cncc2C1)c1cc(B(O)O)ccc1F 869103530 NOLPFDRYFIIMHP-SNVBAGLBSA-N 303.102 -0.553 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CSCCS2)N1 875360658 KEKWWZPAVKRKBD-SFYZADRCSA-N 318.424 -0.556 50 20 DBGD C[C@@]1(C(=O)NNC(=O)CS(C)(=O)=O)C[C@H]1Br 913242424 FHEPPNPKBMDSDI-SVGQVSJJSA-N 313.173 -0.648 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(C#CCO)c1 913730453 WAMIFOHPSRAOGD-UHFFFAOYSA-N 315.329 -0.586 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1116596194 MWSCUCJIZANKAL-UHFFFAOYSA-N 318.289 -0.592 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccccc1F 1320520736 AEZYRNMYCKRQGC-UHFFFAOYSA-N 305.269 -0.123 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(S(N)(=O)=O)o1 1322566162 XVUNJRZDLWADGE-UHFFFAOYSA-N 304.353 -0.778 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)c1cnns1 1323343041 FUEJAKOSSGTXDG-UHFFFAOYSA-N 307.339 -0.078 50 20 DBGD COCCOCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328781985 ALDGJFMXYNESEK-JTQLQIEISA-N 316.358 -0.961 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)N1 1328789454 QMYZHPHQAAGZDJ-HBNTYKKESA-N 310.354 -0.447 50 20 DBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1ccnc1 1329597174 OKPCQNJVWIBNAO-ZJUUUORDSA-N 314.367 -0.584 50 20 DBGD CN(C)N(C(=O)[C@@H]1CCCNC1=O)[C@@H]1CCS(=O)(=O)C1 1332138910 YJLIOSGFLPSCKE-NXEZZACHSA-N 303.384 -0.995 50 20 DBGD CC[C@](C)(C#N)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1345409488 BNGRFVLNWAYYJN-LDYMZIIASA-N 302.356 -0.556 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=S)NCCc2cccnc2)N1 1348412345 WIDSUVMPKFLZFK-JTQLQIEISA-N 307.379 -0.602 50 20 DBGD C[C@H](NC1CC1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1576238315 FATWJZLNMQUTDT-QMMMGPOBSA-N 300.359 -0.201 50 20 DBGD Cc1nnc(NNC(=O)c2sccc2-c2nn[nH]n2)nc1O 1592449816 YNSSSZGLBBMNEH-UHFFFAOYSA-N 319.310 -0.116 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc2c1CCCC2 1601635717 IXOMWWOASBHXLJ-UHFFFAOYSA-N 305.290 -0.264 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C(=O)O)c(F)c2)N1 1602637787 HLACJHZOWTYLJG-VIFPVBQESA-N 324.268 -0.045 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 117680158 HKPVWLCJGWPPMT-SNVBAGLBSA-N 319.365 -0.028 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266287592 YDFWAUQXESAJIX-YJFSRANCSA-N 323.349 -0.658 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)OC(C)(C)C)C1=O 496630586 DTIRYPVOMBAHDN-ZETCQYMHSA-N 300.315 -0.127 50 20 DBGD CSCC[C@@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584962905 MDAQSROPNFANFV-VIFPVBQESA-N 301.148 -0.651 50 20 DBGD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585057415 DGIBVYRYMKCULJ-SNVBAGLBSA-N 314.128 -0.027 50 20 DBGD CN(C)C(=O)CCCNC(=O)NNC(=O)Cc1cccnc1 728948245 BODZCVGINMNJFB-UHFFFAOYSA-N 307.354 -0.177 50 20 DBGD O=C(CSc1nnnn1CC(F)(F)F)NNC(=O)C1CC1 729966650 VIUMABZDSKTYIP-UHFFFAOYSA-N 324.288 -0.115 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)COCc2ccccc2)cn1 737756957 XLKCGWDPPODFAK-UHFFFAOYSA-N 324.362 -0.054 50 20 DBGD CCS(=O)(=O)CCN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C 759366885 RNSZUKOLRNFALO-NSHDSACASA-N 321.443 -0.065 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC(O)C1 759868022 HPCYMEYXLOEMAB-UHFFFAOYSA-N 302.334 -0.226 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncnc2)c1 760516664 XOISYBSADVYGPG-UHFFFAOYSA-N 320.330 -0.045 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccn(C)n1 794345400 DEZHQKZGPNNXQD-UHFFFAOYSA-N 309.370 -0.195 50 20 DBGD COC(=O)CC1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 819807080 JBIKWURMBVZCHO-YGPZHTELSA-N 317.367 -0.198 50 20 DBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)N1CCOCC1 824621051 GPZXYQBGSBTPHM-UHFFFAOYSA-N 306.326 -0.377 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C[C@H]1CCC(=O)N1 825274817 YLIQCGYIURNFIU-MRVPVSSYSA-N 324.362 -0.706 50 20 DBGD O=C(NCc1ccco1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826443164 DDLWHNWPOQVZCK-UHFFFAOYSA-N 316.281 -0.068 50 20 DBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C 838776622 CMUWMDGBNWLFMW-WDEREUQCSA-N 311.342 -0.756 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC(=O)NCC(F)(F)F 843977476 GNENZJJZVRTFEH-BQBZGAKWSA-N 311.260 -0.373 50 20 DBGD C=CCNC(=S)NNC(=O)c1cn(CC2(CC)COC2)nn1 854185636 FGJQWHRGGPPRKR-UHFFFAOYSA-N 324.410 0.000 50 20 DBGD C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455075 CYCHPARKTJKTIV-XHDPSFHLSA-N 305.334 -0.594 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)N1 862462446 WYYRRNAWEWJYDF-TUAOUCFPSA-N 303.318 -0.078 50 20 DBGD CS(=O)(=O)CC(=O)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 863465717 DYLCRHBFMABYPK-DQASFRKVSA-N 324.402 -0.428 50 20 DBGD COC[C@](C)(CO)NCC(=O)NNC(=O)c1cccs1 879164035 SGDCXTCOKNOLBG-LBPRGKRZSA-N 301.368 -0.504 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F 1255414318 WYUCTWRAZWITQC-UHFFFAOYSA-N 309.204 -0.235 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCCCNC(N)=O 1261501505 DDKFSBJBQIIIMF-NXEZZACHSA-N 300.359 -0.213 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 1261771633 CQVDVKFFVVHTPW-MRXNPFEDSA-N 318.377 -0.457 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CCCO1 1319268125 KJZBMYWLIDBATQ-CQSZACIVSA-N 321.337 -0.080 50 20 DBGD CCOC(=O)CN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 1319316754 ZDQKBUJBFWJXSU-UHFFFAOYSA-N 318.333 -0.186 50 20 DBGD COc1ccncc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329745424 KAFGTWQXVDDCDR-SECBINFHSA-N 307.310 -0.801 50 20 DBGD COCCOc1cncc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1340013153 LWLKMMRSYIYPSJ-UHFFFAOYSA-N 322.321 -0.854 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)C(=O)NNc1cccc(F)n1 1601022565 DOKOOFBLGNTTHC-UHFFFAOYSA-N 322.256 -0.266 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)Cc1ccccn1 1601023908 LZFQNDZOIHNFJX-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD O=C(C[C@H]1CCC(=O)N1)NNc1ccc(-c2nn[nH]n2)cn1 1606497135 SOXYFORJYYGWOW-MRVPVSSYSA-N 302.298 -0.627 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(C(=O)O)s1 1608331392 PNDWHGOSBZIRBR-UHFFFAOYSA-N 311.319 -0.170 50 20 DBGD C[C@H]1CO[C@@H](CO)CN1CC(=O)NNC(=O)c1cccs1 167826005 YPQPKVMEFGVMEQ-VHSXEESVSA-N 313.379 -0.409 50 20 DBGD O=C(CN1CCC[C@H](OCCO)C1)NNC(=O)c1ccccc1 265223010 OYCDTZCQHYNUAT-AWEZNQCLSA-N 321.377 -0.079 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(F)c(C)c1 272498993 TXNGZWOLFUGWTR-UHFFFAOYSA-N 319.314 -0.200 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)O1)c1cccc([N+](=O)[O-])c1 276190886 UJGJWIVRNZGLCL-NXEZZACHSA-N 323.261 -0.012 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1nc2ccccn2n1 276679481 CAEVUFQAGJVGIY-UHFFFAOYSA-N 310.339 -0.792 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C 288806136 FPDRAEYGDWRYTK-KXUCPTDWSA-N 303.384 -0.326 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C 298639205 GVWJGKKMRXMWJY-NSHDSACASA-N 318.333 -0.332 50 20 DBGD O=C(NCCCOC[C@@H]1CCOC1)c1ccc(B(O)O)cc1 584950428 MFNISUGQHMKBDG-LBPRGKRZSA-N 307.155 -0.461 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCS[C@@H]2COCC[C@H]21 584965830 UIGGYBPVNRFLSD-CHWSQXEVSA-N 307.180 -0.287 50 20 DBGD CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cccc(B(O)O)c1 584973977 LHNRNZPFPFPMSM-CYBMUJFWSA-N 304.155 -0.551 50 20 DBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)N1CCCCC1=O 584980104 QJDUNLCWQPOYIR-JTQLQIEISA-N 322.145 -0.364 50 20 DBGD C[C@@H](NCc1ccccc1B(O)O)C(=O)NCc1ccco1 585032525 IBIVXIOPSGGXJC-LLVKDONJSA-N 302.139 -0.246 50 20 DBGD Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058383 ZCFCQSLYRMENLW-LURJTMIESA-N 305.552 -0.445 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)C1CCCC1 732271910 ZCNLZRIFYWJZPP-UHFFFAOYSA-N 312.370 -0.644 50 20 DBGD Cc1[nH]nc(S(=O)(=O)NNC(=O)C2CCC2)c1C(=O)O 738337300 ISABHXWXXKVGHY-UHFFFAOYSA-N 302.312 -0.474 50 20 DBGD CC[C@@H](SC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746835696 QTPCTDJBDNIGOH-HTQZYQBOSA-N 309.413 -0.355 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)ccc1F 752400913 WWJYBKRCOBDKJP-UHFFFAOYSA-N 315.326 -0.095 50 20 DBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755283923 GKJRQTWXPPBANK-NSHDSACASA-N 322.369 -0.318 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1nc2ccccc2n1C 755697729 GXMDPSVCXZDLFY-SECBINFHSA-N 323.378 -0.039 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)CSc2ccccc2O)CC1 764048166 PGUSEKLFBRFMEJ-UHFFFAOYSA-N 309.347 -0.103 50 20 DBGD CCOC[C@@H](C(=O)OC)N(C)CC(=O)NNC(=O)C(C)(C)C 764347340 PPWJOCXRTDPFDC-JTQLQIEISA-N 317.386 -0.310 50 20 DBGD O=C(CN1CC[C@@H](C(=O)N2CCCC2)C1)NNC(=O)C1CC1 805808373 SXFRAKVXTNZEGG-GFCCVEGCSA-N 308.382 -0.512 50 20 DBGD Cn1ncc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1Cl 814816361 RYQNTYRBQZXMCT-QMMMGPOBSA-N 319.774 -0.106 50 20 DBGD O=C(O)CCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 819492866 ZHEPNINPEKEGHA-UHFFFAOYSA-N 309.278 -0.124 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1COCCO1 823273501 PQQOLVOEWWGHST-LLVKDONJSA-N 302.294 -0.268 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)Sc1nnnn1C1CC1 823965527 OKQUETPWLAAPDB-JGVFFNPUSA-N 300.388 -0.168 50 20 DBGD CO[C@H](CN)CC(=O)NNc1nc2ccccc2c(=O)n1C 831786687 SIEVXZCOCSRDIS-VIFPVBQESA-N 305.338 -0.260 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CC(N3CC[C@@H](O)C3)C2)cn1 846511840 WLDXSNAXZBIJTO-NQADCFBISA-N 301.350 -0.396 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847287125 NWWFPBZLYWVBRE-NXEZZACHSA-N 321.333 -0.267 50 20 DBGD Cn1cc(S(=O)(=O)NCC(=O)NCC(Cl)Cl)cn1 848384693 WSSMDVYBTAZUAV-UHFFFAOYSA-N 315.182 -0.382 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1C(N)=O 860606293 UNJVQLRXULPMRJ-SNVBAGLBSA-N 319.321 -0.475 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CN1CC(=O)N(C)C1=O)C1CC1 862150143 HJGZWQQPUALOSH-SSDOTTSWSA-N 313.383 -0.826 50 20 DBGD Cn1nc(Br)cc1C=NNC(=O)[C@@H]1CCC(=O)N1 863153364 SFRBZBPFCVKDRE-ZETCQYMHSA-N 314.143 -0.089 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)CCc2ccccc2)N1 863414369 UFZUXUOURRSBBM-NSHDSACASA-N 311.363 -0.542 50 20 DBGD COCCOCC(=O)NNC(=O)[C@]1(C)C[C@H]1Br 913433590 LBBTVMRHRFFWFI-GMSGAONNSA-N 309.160 -0.030 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CS(C)(=O)=O)CC1 1261224765 ZWXRMUPPPMYTFX-JTQLQIEISA-N 319.427 -0.311 50 20 DBGD C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NNC(=O)c1cn[nH]c1 1261792202 PRUXXPUANUGBFR-JGVFFNPUSA-N 317.371 -0.483 50 20 DBGD CN(C)C(=O)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 1318057920 QDHILPGGGBJVSH-UHFFFAOYSA-N 319.321 -0.346 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1c(O)nnc(C)c1C 1318664844 HQKMZSUEUGDTAX-UHFFFAOYSA-N 323.353 -0.135 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc2c1CNC2=O 1324847461 VVFIVNKONRIIMY-UHFFFAOYSA-N 306.278 -0.354 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1328756245 GYQIYWJFWUWWPI-VIFPVBQESA-N 324.410 -0.323 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCOC(=O)N1 1328933074 VJPCZBVAECHZMH-SSDOTTSWSA-N 316.314 -0.843 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(C(N)=O)o1 1329237381 WEVBSRQABDZSNO-VXNVDRBHSA-N 310.310 -0.366 50 20 DBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1ccnc1 1329597169 OKPCQNJVWIBNAO-UWVGGRQHSA-N 314.367 -0.584 50 20 DBGD CN(C)N(C(=O)c1ccnc2ccnn12)[C@@H]1CCS(=O)(=O)C1 1331745851 UNTBWOTXGQXQNC-SNVBAGLBSA-N 323.378 -0.165 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1nc2ccccc2[nH]1 1335368022 RZLMOGWFGMNCEQ-UHFFFAOYSA-N 324.362 -0.313 50 20 DBGD Cc1n[nH]cc1CCCNC(=O)NNC(=O)C(=O)N1CCCC1 1338515096 WVIYASBCBLVCFC-UHFFFAOYSA-N 322.369 -0.396 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnn2CC(F)F)N1 1348387684 NGRCTSXILZYNLB-LURJTMIESA-N 301.253 -0.812 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCNC3(CCC3)C2)N1 1580843630 KXGCEHXJJAWVFC-NXEZZACHSA-N 309.370 -0.730 50 20 DBGD C/C=C\[C@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590353099 NXENWEMXYIEUDP-ZMWSMAPVSA-N 302.294 -0.435 50 20 DBGD CN(C)CCN(CC(=O)O)C(=O)/C(C#N)=C/c1cnn(C)c1 1593697745 YWDXJGPUQVEZTJ-WUXMJOGZSA-N 305.338 -0.198 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCN(CCC(=O)O)CC1 1599747258 MSGRWFQJLJRBKA-UHFFFAOYSA-N 305.356 -0.926 50 20 DBGD O=C(NNc1nc2ccccn2n1)c1cc(-c2nn[nH]n2)c[nH]1 1606861854 JIIDSEGOUFFCQB-UHFFFAOYSA-N 310.281 -0.006 50 20 DBGD CC[C@@H](NC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557898 DYBXRRMMBLLVPY-RHYQMDGZSA-N 317.817 -0.214 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(N3CCCC3)nn2)cn1 117681104 RWHZJAPTLFBWEW-UHFFFAOYSA-N 315.337 -0.115 50 20 DBGD COC(=O)[C@@H]1COCCN1S(=O)(=O)CBr 133978251 DYERUAGSPKLEIU-LURJTMIESA-N 302.146 -0.458 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)COc2ccccc2O)CC1=O 267580912 HHVBDQWPPARETL-SECBINFHSA-N 322.321 -0.668 50 20 DBGD C=C(C)[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)OCC 273367875 DNTUFSLJSRMDFS-ZJUUUORDSA-N 321.399 -0.557 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C2CC2)cc1 298265605 DTPIXWSGWOYYBH-UHFFFAOYSA-N 311.363 -0.169 50 20 DBGD NNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 492862591 GZUVAFYTGPHTSF-VVEJJEBESA-N 302.334 -0.220 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)cc2F)C[C@H]2CCCCN12 585044785 UCYWLTLMZXTBBW-TZMCWYRMSA-N 306.146 -0.252 50 20 DBGD O=S(=O)(Cc1nc(-c2ccc(B(O)O)cc2)no1)C1CC1 585055289 VMIFAZYHTWIGSJ-UHFFFAOYSA-N 308.124 -0.506 50 20 DBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNc2cccnn2)C1 736385866 AIOOZFVJCDSXSO-NSHDSACASA-N 321.385 -0.310 50 20 DBGD CC(C)Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)n(C)n1 764204026 OACOTFZJUOGQOC-UHFFFAOYSA-N 324.385 -0.734 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)OC)n1 772025459 XOVXEBRVTPKTOS-QMMMGPOBSA-N 323.305 -0.029 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 774773249 WUAZRGSYSCFHKE-NXEZZACHSA-N 300.359 -0.391 50 20 DBGD O=C1CNC(=O)N1CCCNS(=O)(=O)CCCCCl 780774879 XNENYTKBJLLBQA-UHFFFAOYSA-N 311.791 -0.133 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1ncncc1Cl 781835521 BVOOIMDOJFYBFI-UHFFFAOYSA-N 308.747 -0.366 50 20 DBGD CC(C)CC(=O)NCCC(=O)NNC(=O)N1CCN(C)CC1 807378471 DZWFKAPKXBVMCA-UHFFFAOYSA-N 313.402 -0.473 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)C[C@@H](CC)OC 817352616 KNDYFZHPLDQTDP-SNVBAGLBSA-N 323.415 -0.333 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCO[C@@H](C(=O)O)C2)c1 818939302 NFJUHAXSDBHXAY-GFCCVEGCSA-N 321.333 -0.459 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@H]1CCCO1 826649012 TXMDGGCLQANZKG-WHOHXGKFSA-N 315.370 -0.064 50 20 DBGD CN(C)CC1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 828417581 GOKYYDWIENNGKM-UHFFFAOYSA-N 324.161 -0.966 50 20 DBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)[C@@H]1CCCCO1 833250997 OSJUPZFKZZBOSM-LBPRGKRZSA-N 321.333 -0.162 50 20 DBGD COCCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 836317919 JVKCTQFVLNKHJB-NEPJUHHUSA-N 314.386 -0.393 50 20 DBGD CO[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)C(F)(F)F 913733358 GDNXGSVBAVQRNK-ZETCQYMHSA-N 311.260 -0.276 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1ccncc1 1116509735 AHMYEMQTGIFAJC-NOZJJQNGSA-N 320.349 -0.953 50 20 DBGD NC(=O)c1cc(NC(=O)NNC(=O)CCO)ccc1Cl 1116635302 SMDBTFBTMCGHGW-UHFFFAOYSA-N 300.702 -0.026 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1n[nH]cc1I 1119643815 GJOVYJDTBMAKEJ-RXMQYKEDSA-N 324.122 -0.028 50 20 DBGD C[C@H]1CCCN(C(=O)CCNC(=O)c2cccc(B(O)O)c2)C1 1124081780 AKUYKGDXJNGBMZ-LBPRGKRZSA-N 318.182 -0.255 50 20 DBGD CC(C)NC(=S)NNC(=O)CNC(=O)NCc1ccco1 1251136991 KEAAPLMPHUOSMZ-UHFFFAOYSA-N 313.383 -0.018 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 1261843641 MYZHMPXKTWNTJH-MRVPVSSYSA-N 314.128 -0.894 50 20 DBGD Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 1319012683 SMOWOVLPFOEOCW-SSDOTTSWSA-N 323.353 -0.169 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)c1cccn1C 1320230654 HXXCFKOSOGYHQV-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD CC(C)NC(=O)NNC(=O)c1cc(N2CCNC(=O)C2)ccn1 1320621234 MGXTXGGFBPAEDN-UHFFFAOYSA-N 320.353 -0.630 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cnns2)n1 1321127356 IVOWLAUZZHCOPO-UHFFFAOYSA-N 323.338 -0.862 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(=O)n(CC)n1 1323117703 UJHCCOKZRKINEP-UHFFFAOYSA-N 323.353 -0.671 50 20 DBGD CC(=O)N1CCC(C(=O)NNC(=O)N2CCN(C)CC2)CC1 1323357004 PWQRXTRJUWMOBT-UHFFFAOYSA-N 311.386 -0.767 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CN(C)CCO1 1324115255 UXZRTPIMHVEUGM-MWLCHTKSSA-N 310.358 -0.917 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(NC(C)=O)c(C)c1 1337975398 ZLDYRVVUCAFFNB-UHFFFAOYSA-N 322.321 -0.314 50 20 DBGD C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C[C@H](O)CN1 1573600185 ACISWSIONFGLMS-ZUZCIYMTSA-N 321.333 -0.668 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cc[nH]n1 1591784261 CHWHWXHPXKSXEA-UHFFFAOYSA-N 301.270 -0.699 50 20 DBGD O=C1CSC[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)N1 1593400312 XWJRBUYIGRERJZ-VIFPVBQESA-N 319.350 -0.459 50 20 DBGD O=C(NCc1cccc(Cn2cccn2)c1)NNC(=O)C(=O)O 1608469927 CLUWXCRMIJWDLC-UHFFFAOYSA-N 317.305 -0.154 50 20 DBGD C[C@H](CN)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558193 IPAMBCHHZOLMKL-VPOLOUISSA-N 303.790 -0.617 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 8391910 VJEYXHMQEIDLTE-UHFFFAOYSA-N 316.358 -0.427 50 20 DBGD CN(C)CC(=O)NNC(=O)CCn1cnc2ccccc2c1=O 75653374 PCRVTKSQAGKMSD-UHFFFAOYSA-N 317.349 -0.504 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)NCCc2cccs2)C1 81296411 DKEGLZWJJRXGIT-LLVKDONJSA-N 312.395 -0.048 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cn1 117680160 HKPVWLCJGWPPMT-JTQLQIEISA-N 319.365 -0.028 50 20 DBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1=O 266987211 RELITPNXBAGTIV-LBPRGKRZSA-N 319.365 -0.036 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 272704426 VNLRGIWNLNJZJE-QSFUFRPTSA-N 320.349 -0.514 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)N2CCOCC2)c1[N+](=O)[O-] 278012465 QDMAWZDFXUXTMA-UHFFFAOYSA-N 312.286 -0.433 50 20 DBGD COCCn1ccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 288118179 YJARTYRYTXKIMA-UHFFFAOYSA-N 310.358 -0.869 50 20 DBGD O=C(NNS(=O)(=O)C1=CCCCC1)[C@H]1CCS(=O)(=O)C1 294152724 HOIVNSXXZZMCEE-VIFPVBQESA-N 322.408 -0.170 50 20 DBGD C[C@H](O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 294268466 GPUSGNUILBLVMV-ZDUSSCGKSA-N 320.393 -0.273 50 20 DBGD Cn1nc2c(c1NC(=O)c1cc(B(O)O)ccc1F)CCC2 584935029 ZCDQWUKQULHAKN-UHFFFAOYSA-N 303.102 -0.020 50 20 DBGD NC(=O)C1(NC(=O)c2cc(B(O)O)ccc2F)CCCCC1 584935262 DYKFEDLUEZLJEO-UHFFFAOYSA-N 308.118 -0.577 50 20 DBGD O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cccc(B(O)O)c1 584938785 BZERKUVPRJTLLQ-NSHDSACASA-N 315.138 -0.148 50 20 DBGD CCNC(=O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584940566 WITRINSHXGDIGJ-UHFFFAOYSA-N 304.155 -0.645 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2CCCC[C@H]2N1 584958903 UWBTZTNZFKTVSS-CHWSQXEVSA-N 320.129 -0.611 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)N1CCCCC1 584985354 KFNLOKUTBDGDCE-SNVBAGLBSA-N 322.145 -0.364 50 20 DBGD O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(B(O)O)c(F)c1 585009338 XLBVMIZOCYITCO-LBPRGKRZSA-N 319.101 0.332 50 20 DBGD Cc1ccc(C(=O)NCCNCc2ccc(B(O)O)o2)cc1F 585017343 ABUPAANUZDNRGW-UHFFFAOYSA-N 320.129 -0.073 50 20 DBGD CS(=O)(=O)Cc1ccccc1CNCc1ccc(B(O)O)o1 585031125 RLPPORKLFSHGDD-UHFFFAOYSA-N 323.179 -0.206 50 20 DBGD CSCC[C@H](NCc1cccc(B(O)O)c1)C(=O)N(C)C 585041786 VKSNALHJUFIRIM-ZDUSSCGKSA-N 310.228 -0.334 50 20 DBGD CN(C)CC(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCO3 727649880 QIZAGGVMPWPUNS-UHFFFAOYSA-N 304.306 -0.208 50 20 DBGD CCOCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845847 NTYQNUHGOFBVBY-UHFFFAOYSA-N 307.354 -0.123 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)Cc1ccccc1F 731322399 XYJAJOJMQZNWOW-UHFFFAOYSA-N 312.370 -0.048 50 20 DBGD O=C(NNC(=O)c1ncccn1)c1ccc(-n2cnnn2)cc1 735875391 BBHIEDQTMXYNFU-UHFFFAOYSA-N 310.277 -0.473 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(CN2CCCC2=O)cc1 755940261 RXDRVRRUZGKMED-UHFFFAOYSA-N 306.322 -0.046 50 20 DBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccc(Cl)nc1 763911722 OXJQRLHEFJOLOQ-LLVKDONJSA-N 323.784 -0.114 50 20 DBGD COc1ccnc(NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)n1 788282279 VUDALFFHSCZPPW-SFYZADRCSA-N 302.356 -0.003 50 20 DBGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)C(C)C)c1 788478197 NOKVZSXIOBZSIR-UHFFFAOYSA-N 301.324 -0.166 50 20 DBGD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NNC(=O)c1cnn[nH]1 801882327 YYIWAMRGCWULEB-UHFFFAOYSA-N 309.217 -0.491 50 20 DBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)C(C)(OCC)OCC 808045857 RHHAGVFFOCRCLC-SECBINFHSA-N 318.374 -0.240 50 20 DBGD Cc1ccc(-c2nnn(CC(=O)NN(C)[C@H](C)CO)n2)cc1 823983367 RSCUZFJZGMXWIE-LLVKDONJSA-N 304.354 -0.008 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(=O)N(CC2CC2)C1 827273845 JFTDLWFRNPYXQY-MWLCHTKSSA-N 310.354 -0.336 50 20 DBGD CC[C@@](COC)(NCC(=O)NNC(=O)C(C)(C)C)C(=O)OC 839112369 FPKVHVBBKXRRQY-AWEZNQCLSA-N 317.386 -0.262 50 20 DBGD O=C(NNc1ncc(F)cc1F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 854898883 GRNJQAWMHMIXOT-OPRDCNLKSA-N 301.249 -0.784 50 20 DBGD CCC[C@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)S(N)(=O)=O 855097446 QLVILGNYSCBZTK-IONNQARKSA-N 322.456 -0.263 50 20 DBGD Cc1cccc(OCCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858099650 SWCHRUFCSHEZFB-GFCCVEGCSA-N 320.349 -0.017 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H](O)c2ccccc2)N1 858695365 WWEBYOFSGSOOMO-MNOVXSKESA-N 306.322 -0.671 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNc1ncc(F)cn1 860463031 KPRGJPHUSYWPIH-MRVPVSSYSA-N 315.305 -0.056 50 20 DBGD COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860545176 MSZUYUKKGOMLHW-VIFPVBQESA-N 317.305 -0.002 50 20 DBGD COC(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1 863378640 HPVHBKLHRAADKP-CMPLNLGQSA-N 309.297 -0.061 50 20 DBGD COC(=O)[C@@H](C)CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 863871936 HFLJEIUWVWGZPO-JTQLQIEISA-N 305.139 -0.220 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)CC1 908054835 JKSKYQFFROMSTQ-GIPNMCIBSA-N 316.789 -0.097 50 20 DBGD C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)n1cccn1 912994524 RPUKGJCEUSKWMP-GHMZBOCLSA-N 300.384 -0.064 50 20 DBGD COCCCNC(=O)NNC(=O)CCCN1C(=O)CCC1=O 920862667 OAKWAZYCFATVPY-UHFFFAOYSA-N 314.342 -0.718 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1nc2ncccn2n1 1261497966 PQOBMCHXAMQFTD-RKDXNWHRSA-N 304.310 -0.761 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1C#N 1317708183 BQQWYLASBISNIF-UHFFFAOYSA-N 310.335 -0.608 50 20 DBGD Cc1noc([C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)n1 1318148053 IEIOLLOCFSVNOZ-ZETCQYMHSA-N 310.314 -0.608 50 20 DBGD C[S@](=O)c1nncn1CC(=O)NNC(=O)c1ccccc1 1318306782 YRNUXQVCLYYKOY-NRFANRHFSA-N 307.335 -0.523 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1csc2nccn12 1319740462 NQZRCORMJGWNBR-UHFFFAOYSA-N 309.351 -0.390 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCN(C3CC3)C2)N1 1328699011 AYBXXPGCWUZPCL-GXSJLCMTSA-N 309.370 -0.920 50 20 DBGD Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1351331674 ZUFVXONHMMGDFH-NXEZZACHSA-N 320.353 -0.594 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=S)NCC1CCC1 1352422830 DVDGEDPIFNAHIR-PWSUYJOCSA-N 311.455 -0.330 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@@]12CNC[C@@H]1COC2 1580562556 WCYJDGQBCQYRQV-MEBBXXQBSA-N 321.333 -0.846 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@]2(C(=O)O)CCCO2)nc1 1593883333 YXOCQXTVNJFNOJ-CYBMUJFWSA-N 309.278 -0.055 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)nnn1C 1594256653 IKMIXUOPKVDKOJ-UINNMSKDSA-N 321.337 -0.224 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1COc2cc(F)cc(F)c21 1601552639 BZYNBOTZTKRFSV-LURJTMIESA-N 301.205 -0.187 50 20 DBGD O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(B(O)O)ccc1F 1608616638 XMURHSYSBBWQKH-HLUHBDAQSA-N 307.086 -0.417 50 20 DBGD CN(C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559579 XRIALRXMOOCSFB-DCAQKATOSA-N 303.790 -0.651 50 20 DBGD O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)N1CCOCC1 53919194 OPOVDRMLDATQQS-UHFFFAOYSA-N 321.259 -0.025 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 54062503 LEVZDKXQNIIHKG-LBPRGKRZSA-N 322.321 -0.707 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1COCCO1 266675612 JDLZFWVTMVNGDS-NSHDSACASA-N 304.306 -0.560 50 20 DBGD CC(C)(O)C(=O)NNC(=O)/C=C/c1ccc(OCC(N)=O)cc1 277966594 NBZJXWITXVAWCC-VMPITWQZSA-N 321.333 -0.518 50 20 DBGD Cc1noc(CCCC(=O)NNC(=O)N2CCN(C)CC2)n1 278578207 JCXFBFNKRDEMFG-UHFFFAOYSA-N 310.358 -0.311 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 280300088 MTJAOFVUSCOXQP-AWEZNQCLSA-N 310.354 -0.400 50 20 DBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 281024747 BHQZQCVGQDYOEH-VDDIYKPWSA-N 320.301 -0.217 50 20 DBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)OC)cc1 490596563 PNEBFNBJYZUJPD-UHFFFAOYSA-N 323.352 -0.856 50 20 DBGD O=C(NCc1nnc2n1CCCC2)c1cc(B(O)O)ccc1F 584931049 XGYAIMKURKMLCB-UHFFFAOYSA-N 318.117 -0.637 50 20 DBGD Cn1cc(C(C)(C)NC(=O)c2cc(B(O)O)ccc2F)cn1 584953023 XYGZMHHJZBKWMY-UHFFFAOYSA-N 305.118 -0.096 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@](O)(C2CC2)C1 585007782 OCVIZOITPGYGKJ-HNNXBMFYSA-N 307.130 -0.117 50 20 DBGD OB(O)c1ccc(CNCc2cccc(N3CCOCC3)n2)o1 585036890 RMBFJVQJEVVGQK-UHFFFAOYSA-N 317.154 -0.519 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@@H](C)CN1CCOCC1 739050163 SRJZQKCMHPXHCA-LLVKDONJSA-N 302.375 -0.678 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@]12CCC(=O)N1CCS2 747428167 HTYAGJAVGJPRSB-CQSZACIVSA-N 320.374 -0.163 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1n[nH]c2ccccc12 747703911 OFBUISPKSADSSR-UHFFFAOYSA-N 303.322 -0.223 50 20 DBGD CCNC(=O)COc1cccc(NC(=O)NNC(=O)CO)c1 755653989 BKWMJQQLEONMOF-UHFFFAOYSA-N 310.310 -0.654 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F 760290646 KIPLOWCHYLMUIQ-UHFFFAOYSA-N 321.259 -0.064 50 20 DBGD CC(C)(C)[C@H](NCC(=O)NNC(=O)c1cccs1)C(N)=O 777616046 KASQKIPRUFWBOV-SNVBAGLBSA-N 312.395 -0.001 50 20 DBGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NN(C)C(N)=O 778412842 YQKUCZKWSKLWOR-SSDOTTSWSA-N 304.310 -0.277 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ncncc1Cl 781818586 BACQKYCLEHFGOL-UHFFFAOYSA-N 319.774 -0.697 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cc1ccccc1S(C)(=O)=O 803159936 UERGRMBRTZJQSH-UHFFFAOYSA-N 314.363 -0.449 50 20 DBGD CNC(=O)NN=C(C)c1ccc(S(=O)(=O)CC(N)=O)cc1 814814511 NLHDIVNVZIIRMY-UHFFFAOYSA-N 312.351 -0.401 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)NCCC(=O)O)cc1 818606908 ZGPJKICQWXGFCM-UHFFFAOYSA-N 311.294 -0.121 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 823928271 LYICGKQJZVKGDB-BZNIZROVSA-N 321.377 -0.263 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825929697 KVLLBTGZXJNXNL-DTWKUNHWSA-N 307.372 -0.824 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)CCOCC1CC1 842590939 TXVITWVYFFCSBA-ONGXEEELSA-N 306.384 -0.211 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)[C@H]1CCO[C@@H]1C 843278475 ZIFUWHWLIFUGKC-BDAKNGLRSA-N 302.400 -0.569 50 20 DBGD N#Cc1ccc2c(c1)NC(=O)C2=NNC(=O)C(=O)N1CCCC1 844579909 PDVFZXRZFYBWMH-UHFFFAOYSA-N 311.301 -0.047 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cnc(C)nc1N 854285347 LPZYQEDTBFEMNC-UHFFFAOYSA-N 312.399 -0.145 50 20 DBGD COCCn1cc(C(=O)NNC(=S)NCC2CCC2)nn1 855093154 YKWDYPJMCOWJBM-UHFFFAOYSA-N 312.399 -0.167 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCS(=O)(=O)C2)cn1 1118240724 LMHUNENXLIAKKU-QMMMGPOBSA-N 300.340 -0.994 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1119581882 ONTKGVNLEAUQSI-BIIVOSGPSA-N 318.317 -0.447 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(-n2cccn2)cc1 1252438350 MJTNRBBQIAHVAT-UHFFFAOYSA-N 317.305 -0.124 50 20 DBGD O=C(NCCc1cscn1)NNC(=O)C(=O)N1CCCC1 1253201102 QTJZZWYHOYRPMG-UHFFFAOYSA-N 311.367 -0.362 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1OC 1255507705 BYUZSFQTNNIMCW-UHFFFAOYSA-N 309.278 -0.737 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1cccc(Cl)n1 1262183407 UXLJOZGXFMRRTC-UHFFFAOYSA-N 314.729 -0.351 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(C1CC1)C1CC1 1318280459 JAFQJRAHHVYTSM-QMMMGPOBSA-N 317.411 -0.102 50 20 DBGD C=CCOCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1318795023 HGVPZLLLCOHIIZ-JTQLQIEISA-N 319.383 -0.513 50 20 DBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1 1320348876 HBKMJQSUFZIDST-UHFFFAOYSA-N 306.322 -0.212 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)c1ccc(C#N)cc1 1331297855 RRFAIFVCJYCSEX-UHFFFAOYSA-N 320.305 -0.308 50 20 DBGD NC(=O)c1ccc(CC(=O)NNC(=O)Cc2cc[nH]n2)cc1 1343633141 ABIRHWQTKGISBM-UHFFFAOYSA-N 301.306 -0.559 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1nncc(N)c1Cl 1346438036 WXZHUIWBTYJFLR-CBAPKCEASA-N 311.777 -0.456 50 20 DBGD Cc1ccnn1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 1348272145 SFBDOMIANAIJMJ-UHFFFAOYSA-N 311.342 -0.136 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccn2c(O)nnc12 1349468402 CAUYMASZMKNGMO-YUMQZZPRSA-N 305.294 -0.379 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@]1(CO)CCCNC1 1575523176 SQBCWMZXIMIRSE-SMDDNHRTSA-N 300.403 -0.728 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CCN1 1579471320 YBAYKGNMDZJHQP-HTQZYQBOSA-N 305.342 -0.100 50 20 DBGD NCCCCCC(=O)NNC(=O)CCN1CCCS1(=O)=O 1580292859 WJTQCHSLUFPDQX-UHFFFAOYSA-N 320.415 -0.922 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)O)c1 1593953199 OMJLQVLODRDLMZ-UHFFFAOYSA-N 309.278 -0.954 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1594644775 NPUYODOLNKFKKL-XPUUQOCRSA-N 318.307 -0.288 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C(=O)O)n(C)n1 1594645448 RUWGXHQHNGTEOQ-RNFRBKRXSA-N 311.298 -0.304 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 1601330060 IURDSBKTFJHPFM-UHFFFAOYSA-N 315.669 -0.884 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2ccc(C(=O)O)nc2)n[nH]1 1605164575 YOIIGMPSPINJHH-UHFFFAOYSA-N 303.278 -0.185 50 20 DBGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783046641 RLFCXRVCVBNDLB-GWCFXTLKSA-N 300.742 -0.951 50 20 DBGD Cc1c(C(=O)NNC(=O)C(=O)NC2CC2)cccc1[N+](=O)[O-] 9889744 JESYYGFOGMMCTE-UHFFFAOYSA-N 306.278 -0.057 50 20 DBGD O=C(NNS(=O)(=O)N1CCOCC1)c1c[nH]c2ccccc12 265040528 WGKWOHJABHDMBJ-UHFFFAOYSA-N 324.362 -0.021 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)Cc1ccncc1 267026389 XQRMLASZMRNFJH-NSHDSACASA-N 307.354 -0.001 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC(=O)N(C)C2)nc1C 272141445 DPBJHOJQSIPHDL-SECBINFHSA-N 321.337 -0.117 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1cnccn1 280311163 NPBSCUHIJLEPDZ-AWEZNQCLSA-N 303.322 -0.159 50 20 DBGD C=CCN1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1=O 584984912 DOXOQZPMJAVYIO-CYBMUJFWSA-N 302.139 -0.775 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](O)[C@@]12CCSC2 585008031 FGLZPZSSVKGMML-JSGCOSHPSA-N 307.180 -0.551 50 20 DBGD CCOc1ccc(C(=O)NCC(=O)N2CC[C@@H](B(O)O)C2)cc1 585067646 ZBWDKCBIHPIBGX-GFCCVEGCSA-N 320.154 -0.110 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1Cc2ccccc2O1 728386671 HJPLYBIQYKAGIJ-JQWIXIFHSA-N 324.358 -0.428 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(OCC(=O)O)c2)cn1 739023235 SZOVPNPSGDSFJY-UHFFFAOYSA-N 318.289 -0.042 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CCNS(C)(=O)=O)n1 748334864 NFMZQYUNOTTZRV-UHFFFAOYSA-N 307.763 -0.179 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)CCN(C)C 748622122 DCXPLDKHPXIKAF-MNOVXSKESA-N 304.391 -0.292 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 754973199 FOOGFCHWMVCWGW-AWEZNQCLSA-N 312.322 -0.138 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(C)(F)F 758048777 VYZXCJCFNBQCBR-ZCFIWIBFSA-N 301.315 -0.493 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1cccn1C 761118124 ATOSZNLSAXXPNE-UHFFFAOYSA-N 316.383 -0.494 50 20 DBGD CCn1nncc1C(=O)OCC(=O)NNC(=O)c1cccs1 815531460 YGFXJOMWZZWVCQ-UHFFFAOYSA-N 323.334 -0.023 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)NCC1CC1 845298681 CNZBHJKXOCMOCM-UHFFFAOYSA-N 308.342 -0.879 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1cc[nH]n1 849310902 UPJJEEWFKFVGPH-UHFFFAOYSA-N 304.328 -0.827 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@@H](CO)NC(N)=O)c1C 855625889 MDCBBQRFZAGEON-SNVBAGLBSA-N 310.310 -0.746 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 856759132 XKGHCGIJEOFPMK-UTUOFQBUSA-N 317.386 -0.706 50 20 DBGD CCc1noc2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc12 862453814 ZIOSFIFWKNABSC-JTQLQIEISA-N 317.305 -0.175 50 20 DBGD CN1CCc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)ccc21 862459750 AVXOMSXJTFPZFU-LLVKDONJSA-N 302.334 -0.282 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc2c(c1)CCO2 863459146 NGQSCVGUANJBND-UHFFFAOYSA-N 312.347 -0.644 50 20 DBGD CC(C)Cn1nccc1C(=O)NNC(=O)CS(C)(=O)=O 863467168 PJJDRRVIBYFWQL-UHFFFAOYSA-N 302.356 -0.655 50 20 DBGD O=C(N[C@@H]1CCCCC12OCCO2)c1cc(B(O)O)ccc1F 863876211 QNGAKTHDQDVWCO-CYBMUJFWSA-N 323.129 -0.079 50 20 DBGD C[C@H](O)CN(C)NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 910162646 HWAUPOUSEBSRHJ-JTQLQIEISA-N 317.386 -0.034 50 20 DBGD C[C@H](O)CN(C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 910181987 DZDYXPUKWZKCEJ-SRVKXCTJSA-N 311.382 -0.105 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)c1ccc[nH]1)n1cccn1 918690451 ALZSWAMQWUCLTR-JTQLQIEISA-N 318.337 -0.308 50 20 DBGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)c1cnccn1 1116025343 JBZAHYXSYDLDFZ-SECBINFHSA-N 300.340 -0.390 50 20 DBGD O=C(NNC(=S)NCCCN1CCOCC1)c1cccnn1 1119621053 ZDYAUQHMJWVUBS-UHFFFAOYSA-N 324.410 -0.692 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNC(=O)C(=O)NC(C)C 1317798550 KAYSXLMOPGCBHK-UHFFFAOYSA-N 314.367 -0.720 50 20 DBGD C[C@@H](Cc1cccc(O)c1)NC(=O)NNC(=O)C(=O)NC1CC1 1328222228 XEIVORWSBRAEKX-VIFPVBQESA-N 320.349 -0.068 50 20 DBGD Cn1nc(C(=O)N2CC[C@H](B(O)O)C2)c2ccccc2c1=O 1329215869 QSONWQXBAJXFFI-VIFPVBQESA-N 301.111 -0.378 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1333918372 DJNZYKGYYLBNPQ-UMVBOHGHSA-N 320.345 -0.821 50 20 DBGD C#CCCCC(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1336578148 WEINUONUALTBJL-NSHDSACASA-N 315.395 -0.944 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)c2cccnn2)C1 1336996192 ZJOSCOHXYNXATM-NSHDSACASA-N 302.338 -0.482 50 20 DBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1347629758 SCQQUUXYEUEAAN-SNVBAGLBSA-N 322.346 -0.543 50 20 DBGD CN1CCN(C(=O)CNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1 1348043276 OUFXKHLUEUOJLT-NTUHNPAUSA-N 316.365 -0.783 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)CN1CCN(C)CC1 1352361195 SJUZIKRFKQKLLU-NSHDSACASA-N 323.401 -0.763 50 20 DBGD NCCCCCC(=O)NNC(=O)[C@H]1COCCN1CC(F)F 1580292804 SJIIOARGFIHXSI-SNVBAGLBSA-N 322.356 -0.381 50 20 DBGD O=C(/C=C\Cn1cncn1)NNc1ccc(-c2nn[nH]n2)cn1 1581954591 KSAMJBODVADWFZ-UPHRSURJSA-N 312.297 -0.447 50 20 DBGD CC[C@@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(=O)O 1589538248 FXHAWJOXDQDMPJ-KWQFWETISA-N 307.372 -0.522 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)NCC(=O)O)cnc1Cl 1600300477 SETFQXWUYHRYQD-UHFFFAOYSA-N 322.730 -0.379 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C(=O)O 1600341529 LSFOYIIXTYOKFX-SNVBAGLBSA-N 305.290 -0.267 50 20 DBGD O=C(N[C@@H](CC1CCOCC1)C(=O)O)c1ccc(B(O)O)cc1 1608393697 ADIMEGDGQROICO-ZDUSSCGKSA-N 321.138 -0.634 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccnn1C1CCCCC1 1608530828 HWMFZFZOVZLLSP-UHFFFAOYSA-N 323.309 -0.441 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1609700833 DNKGGKCNSLTSLY-SSDOTTSWSA-N 314.319 -0.428 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)[C@@]12CCCO2 1610030583 MQEXXRVYVYFOFY-RWYTXXIDSA-N 301.299 -0.872 50 20 DBGD O=C(Cc1ccc(-n2cnnn2)cc1)NNC(=O)NC1CC1 64427577 HFNOWQNFIBOOTM-UHFFFAOYSA-N 301.310 -0.302 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1=O 265222703 UAZGIYWMMHXXTH-GFCCVEGCSA-N 319.365 -0.036 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)CN2CCOCC2)c1 271965089 VHDBLBYZKJPODT-UHFFFAOYSA-N 313.379 -0.135 50 20 DBGD CC(C)Oc1ncccc1NC(=O)C(=O)NNC(=O)CN(C)C 274109794 ZHRVKOVJMVOLGQ-UHFFFAOYSA-N 323.353 -0.484 50 20 DBGD C/C=C/C[C@H](CO)NC(=O)NNC(=O)CNC(=O)c1ccco1 274538029 FSPONFJEFIZKSG-VMZHVLLKSA-N 324.337 -0.333 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2(O)CCC2)c1 274731939 LSLRYPRUNQAXOU-UHFFFAOYSA-N 312.347 -0.234 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)c2ccc[nH]2)n1N 291435051 JSMBWARINUWSIK-UHFFFAOYSA-N 323.382 -0.174 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)[C@@H]1CCCO1 294103172 RWIZVMHZELGOHI-RYUDHWBXSA-N 304.306 -0.099 50 20 DBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc[nH]1 299447773 MQWRLIYFUCLMQH-NXEZZACHSA-N 318.333 -0.049 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(Cc2ccco2)CC1 584926710 YQONWXRVYHAVHW-UHFFFAOYSA-N 314.150 -0.083 50 20 DBGD O=C(NCc1nnc2n1CCCC2)c1ccc(B(O)O)c(F)c1 584930017 GFCPYDOYWLUSQC-UHFFFAOYSA-N 318.117 -0.637 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584965404 QQGHIKKHOXECKU-OLZOCXBDSA-N 304.155 -0.599 50 20 DBGD O=C1CC[C@H]2CN(C(=O)c3cc(B(O)O)ccc3F)CC[C@H]2N1 585007991 RIIYUQZAVXUPBU-TVQRCGJNSA-N 320.129 -0.754 50 20 DBGD C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(B(O)O)o1 585022895 CFTBBPKHEIEYFZ-VHDGCEQUSA-N 322.214 -0.062 50 20 DBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 725878955 TZXPIAOOSAFNEK-UHFFFAOYSA-N 311.772 -0.153 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)COc1cccnc1 728072119 UZAKOJKWENIJSV-UHFFFAOYSA-N 318.289 -0.369 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733169883 DXOGVNLBEAVMQJ-UHFFFAOYSA-N 313.317 -0.101 50 20 DBGD Cn1c(NNC(=O)CCNC(N)=O)nc2ccccc2c1=O 733365260 IUINTIYVSAWVCW-UHFFFAOYSA-N 304.310 -0.565 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)C[C@@H]1CCCO1 740812732 YRMFCJCSKZYFPK-JTQLQIEISA-N 321.399 -0.579 50 20 DBGD CN(C)C(=O)NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 746520109 SKZMVQUPIRVSHV-UHFFFAOYSA-N 308.294 -0.553 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C(C)=O)C1 771964071 SEWDNRSNJANLCW-KOLCDFICSA-N 313.354 -0.266 50 20 DBGD COc1ccnc(NNC(=O)c2cnc3c(c2)nnn3C)n1 780981098 GBSSQPQWZOHPRZ-UHFFFAOYSA-N 300.282 -0.081 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@@H](C)O)[C@H](C)CO 785537207 OKYYJWQHHMLYGS-UTUOFQBUSA-N 303.403 -0.368 50 20 DBGD CCOC(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 785664878 ANUGUUSTMJCQPH-SECBINFHSA-N 317.342 -0.142 50 20 DBGD O=C(CCc1ncc[nH]1)NNC(=O)CNC(=O)c1cccs1 806735935 GMVWJBIRABOEIF-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)NNC(=O)C1CC1 815293176 SPPQEQLNIGUDGY-DZGCQCFKSA-N 311.382 -0.547 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NCCCC(=O)O)nc21 819084282 JAYXNYCBJXZKLA-UHFFFAOYSA-N 309.286 -0.440 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)N1CCO[C@@H](C(=O)O)C1 819165356 BOFVQSIGSNJLKS-SNVBAGLBSA-N 308.294 -0.850 50 20 DBGD CC(C)C[C@@H](NC(=O)O)C(=O)NNC(=O)[C@H]1COCCO1 824211803 SZFBKBWCKPCGEN-RKDXNWHRSA-N 303.315 -0.769 50 20 DBGD O=C(CN1CCCC1=O)NNc1ccc(-c2nn[nH]n2)cc1 826410707 WDDFKKSCPBVFTM-UHFFFAOYSA-N 301.310 -0.068 50 20 DBGD CCS(=O)(=O)N1CCN(S(=O)(=O)CCl)[C@H](C)C1 831535403 WACPWLBKFBMIOA-MRVPVSSYSA-N 304.821 -0.132 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 843971229 PZPMIBSSKOBYIT-POYBYMJQSA-N 310.266 -0.119 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)S(=O)(=O)CCO1 843980150 RLTANPXMCNNFDB-APPZFPTMSA-N 318.351 -0.765 50 20 DBGD CN(C)N(C(=O)CN1CSCC1=O)[C@H]1CCS(=O)(=O)C1 844340750 CHVRNKDMUUFSSC-VIFPVBQESA-N 321.424 -0.988 50 20 DBGD C#C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 858569761 NQAALHOWDQTADV-VXGBXAGGSA-N 300.318 -0.030 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@H]3COC[C@H]3C2)n1 872320597 DCHWVJLSVRZWAN-PHIMTYICSA-N 324.406 -0.280 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)cc1 915185748 OTEVFSXNXPLXOE-UHFFFAOYSA-N 302.308 -0.131 50 20 DBGD Cn1cnc(CNC(=O)NNC(=O)COc2ccccc2O)n1 1116440602 VXHYFJZNMONIFY-UHFFFAOYSA-N 320.309 -0.570 50 20 DBGD COCCO[C@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118863743 AWTOIKIQSVGVML-NSHDSACASA-N 311.342 -0.109 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1C 1320347443 QFMRQYDQRNLDHZ-UHFFFAOYSA-N 306.322 -0.149 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)cn(C)c1=O 1323945571 ZYVLWYNBBFGPDP-UHFFFAOYSA-N 306.322 -0.420 50 20 DBGD C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)[C@H]1CCC(=O)N1 1329076230 JJLALMHLYMZNLQ-HBNTYKKESA-N 317.411 -0.607 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 1330963583 FLKZTPKRHJRKMU-VYAPXOCISA-N 321.377 -0.256 50 20 DBGD O=C(NNS(=O)(=O)CCOCC1CC1)c1ncccn1 1345485445 WXUGYXKWIRHWRB-UHFFFAOYSA-N 300.340 -0.533 50 20 DBGD N#CC1CCC(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1348110586 LEKANQBRKZKVHZ-VQXHTEKXSA-N 307.354 -0.075 50 20 DBGD CCc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1348111071 ROTZUWYNFPDLRC-QMMMGPOBSA-N 309.326 -0.346 50 20 DBGD O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CC[C@@H](B(O)O)C1 1348490100 MXQIJUALKSLRLI-CYBMUJFWSA-N 323.202 -0.011 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 1589406571 YNGAARCPYCGRDN-UHFFFAOYSA-N 317.309 -0.391 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1590366036 UMYDJIAZXWMAPP-LURJTMIESA-N 321.297 -0.703 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)NCC(=O)O)c(F)cc1F 1600300156 APXBJGKMIMEVBC-UHFFFAOYSA-N 323.277 -0.150 50 20 DBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@@H]1COCCO1 1602106245 ICRUHRPHWGMQDB-AEJSXWLSSA-N 315.326 -0.624 50 20 DBGD C=CCNC(=S)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1602866692 ISFHICAKJLEIPV-UHFFFAOYSA-N 304.339 -0.443 50 20 DBGD O=C([C@@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCO1 1847558946 QUNXCRUGVFAQGJ-FIQHERPVSA-N 316.785 -0.033 50 20 DBGD COC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 15590296 KTAWKSPNPAQYSZ-UHFFFAOYSA-N 301.324 -0.062 50 20 DBGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)C(=O)NC1CC1 54371069 SUIGWJMRMIEZFU-ZETCQYMHSA-N 324.362 -0.708 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 106417311 ZJKIASYHSRMIOV-NSHDSACASA-N 307.354 -0.109 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N[C@H]1CC(=O)N(C)C1 267590491 ICUPYHNFETZVFV-VIFPVBQESA-N 306.322 -0.130 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](C(N)=O)O1 268437647 JWHYLMUVZVYIQO-PWSUYJOCSA-N 320.349 -0.978 50 20 DBGD CCOC(=O)/C(C#N)=C/NC[C@H]1CCCN1S(C)(=O)=O 270000115 WIUDTGCGRKGFGC-RJCSOLBVSA-N 301.368 -0.029 50 20 DBGD COC(=O)COc1ccc(NC(=O)NNC(=O)CN(C)C)cc1 274878459 HCCHFCCACDJUPC-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)Cn2cnnn2)cc1 299169492 TZNLEEQNFLWUNI-UHFFFAOYSA-N 304.310 -0.538 50 20 DBGD O=C(CN1CCOCC1)NNc1nnc(-c2ccccn2)s1 373750515 IISRIPYEDPJINK-UHFFFAOYSA-N 320.378 0.375 50 20 DBGD O=C(NNc1nccnc1C1CCC1)[C@H]1CN2CCCN1CC2 376487502 LVGZZZMQBSODKW-CYBMUJFWSA-N 316.409 0.577 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCCN(S(C)(=O)=O)CC1 490752495 CFADFZRMCDQHFA-KHPPLWFESA-N 301.368 -0.076 50 20 DBGD OB(O)c1ccc(OCc2nnnn2CC(F)(F)F)cc1 584909881 JNFJQAIHYWKHJD-UHFFFAOYSA-N 302.021 -0.506 50 20 DBGD C[C@H]1CN(CCCNC(=O)c2ccc(B(O)O)cc2)C[C@H](C)O1 584929318 QVGFZZGYTBPFFM-STQMWFEESA-N 320.198 -0.405 50 20 DBGD COCCN1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584944758 WAQKRIUMUMATOI-LLVKDONJSA-N 324.161 -0.796 50 20 DBGD COCC[C@]1(NC(=O)c2cc(B(O)O)ccc2F)CCOC1 584981785 HUISXCPYNJMNEA-AWEZNQCLSA-N 311.118 -0.569 50 20 DBGD CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585030089 WEWFMXHLYRITHG-ONGXEEELSA-N 301.173 -0.595 50 20 DBGD OB(O)c1ccc(CNC2CCN([C@@H]3CCOC3)CC2)cc1 585049353 DOSNJQKEXCNBSU-MRXNPFEDSA-N 304.199 -0.291 50 20 DBGD Cc1c(C(=O)NCB(O)O)nnn1-c1cccc([N+](=O)[O-])c1 585061497 ZJGLBXWRQINNEU-UHFFFAOYSA-N 305.059 -0.774 50 20 DBGD Cn1cc(C=NNC(=O)Cc2ccccc2F)c(=O)n(C)c1=O 731320947 ANFFZUPKHDYSRZ-UHFFFAOYSA-N 318.308 -0.084 50 20 DBGD O=C(O)CCCNC(=O)NNC(=O)CNC(=O)c1ccco1 738576582 GRFWUGJTKYBZCF-UHFFFAOYSA-N 312.282 -0.795 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)C[C@H]1CCCCO1 740811566 NIVUICPMULWNLP-SNVBAGLBSA-N 309.388 -0.274 50 20 DBGD O=C(O)COc1ccccc1C=NNC(=O)C(=O)NC1CC1 744823716 AVYKCSZIYKJMBT-UHFFFAOYSA-N 305.290 -0.121 50 20 DBGD COc1cc(C)nc(NNC(=O)c2ccc3nnnn3c2)n1 758261627 LMSILFLEISGCQH-UHFFFAOYSA-N 300.282 -0.012 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2cccnc12 764204791 ZHOFVURABRPPTP-UHFFFAOYSA-N 315.333 -0.118 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1cccnc1 764344340 ARAAOFFNFUIOAO-UHFFFAOYSA-N 313.317 -0.404 50 20 DBGD C[C@@H](O)C[C@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 767028887 HQYNGMNFHFDXHD-MNOVXSKESA-N 301.387 -0.348 50 20 DBGD CCNC(=O)N(C)NC(=O)c1coc(S(=O)(=O)NC)c1 780711461 LNMMOLRMRHFEMA-UHFFFAOYSA-N 304.328 -0.506 50 20 DBGD C[C@@]1(NNC(=O)NCCOCC(F)F)CCS(=O)(=O)C1 788319254 SHDUCUCSNAKXGG-SNVBAGLBSA-N 315.342 -0.351 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCN(C)C2=O)n1 792984252 GKCNAVZRZYLMJY-LLVKDONJSA-N 305.338 -0.045 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 827273267 GJYSEIMQPFUSTN-IVZWLZJFSA-N 319.383 -0.729 50 20 DBGD O=C(O)C[C@@H]1CCCN1C(=O)NNC(=O)[C@H]1COCCO1 833210808 XPXOHYYGFVTKQX-DTWKUNHWSA-N 301.299 -0.918 50 20 DBGD COC(=O)C12CC(C(=O)NNC(=O)N=c3cc[nH]cc3)(C1)C2 843880421 OIJZVHVXAWVQGY-UHFFFAOYSA-N 304.306 -0.001 50 20 DBGD C[C@@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)NC(N)=O 847280654 CJCSRHTYDZRUCH-ZETCQYMHSA-N 309.282 -0.197 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H](CO)c2ccc(F)cc2)N1 858694731 CFGXRXDIZPVVQZ-WDEREUQCSA-N 324.312 -0.532 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NN[C@@H](C)C(F)(F)F 862314838 KPUBRQJIWVBGQR-ZETCQYMHSA-N 321.321 -0.486 50 20 DBGD CC(C)CC=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 863968195 GWINCDCSFCOUTP-UHFFFAOYSA-N 313.383 -0.281 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1 869908982 DOYFNIUHZOBNJO-MNOVXSKESA-N 304.343 -0.619 50 20 DBGD COC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 1320367658 OJHGGPIGBVZRLA-UHFFFAOYSA-N 302.312 -0.667 50 20 DBGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc21 1320608149 UXPQXJRIFLWDKV-UHFFFAOYSA-N 304.306 -0.353 50 20 DBGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c1 1321116514 ZVDKPEPHTKHLFO-UHFFFAOYSA-N 324.318 -0.180 50 20 DBGD COC1(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)CCOCC1 1321134419 BBZKKRCRSIISNK-JTQLQIEISA-N 304.368 -0.281 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ccc(Cl)nn2)nn1 1321937561 NGARQZCXAXIUPP-UHFFFAOYSA-N 324.732 -0.433 50 20 DBGD Cn1nncc1NC(=O)C(=O)NNC(=O)c1ccccc1Cl 1324597995 AANGCHJPVVWXQD-UHFFFAOYSA-N 322.712 -0.132 50 20 DBGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1 1325554678 MVULCIYKONYXFG-UHFFFAOYSA-N 324.293 -0.132 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1 1337652606 WYSPJEXDWGSZJZ-CHWSQXEVSA-N 308.382 -0.017 50 20 DBGD Cc1nn(C)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1[N+](=O)[O-] 1346070006 YANNNYZAOIXSKX-SFYZADRCSA-N 311.298 -0.177 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@]1(CO)CCCNC1 1575523174 SQBCWMZXIMIRSE-FZMZJTMJSA-N 300.403 -0.728 50 20 DBGD C[C@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCNC1=O 1590068792 QELWSWRTYJWLTJ-ZDUSSCGKSA-N 301.310 -0.164 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H](OC)C(=O)O)cc1 1594105024 CBJVWKQAXDBIHU-NSHDSACASA-N 311.294 -0.646 50 20 DBGD O=C(C[C@H]1CCNC1=O)NNc1cccc(-c2nn[nH]n2)c1 1606504212 QZTZOKCONQILLI-SECBINFHSA-N 301.310 -0.164 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CCC1)c1cccc(-c2nn[nH]n2)c1 1606849735 WUAJCVNLEYNJNK-LLVKDONJSA-N 316.321 -0.211 50 20 DBGD O=C(O)[C@H]1CNCCCN1S(=O)(=O)CBr 1608646226 KSLBTRVNGWFJRZ-ZCFIWIBFSA-N 301.162 -0.583 50 20 DBGD O=C(NNC(=O)C1CCOCC1)c1ccc(-n2cnnn2)cc1 25180285 DDDFRJVHAXXTAE-UHFFFAOYSA-N 316.321 -0.150 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)c2ccccn2)CC1=O 266795928 QKCAKBWEYPMJCO-LLVKDONJSA-N 319.365 -0.747 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 272679404 NEIIJUMGCQCWIJ-AOOOYVTPSA-N 310.354 -0.146 50 20 DBGD CCn1nncc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 292543319 AFNPBLCDBOPOHD-LBPRGKRZSA-N 317.305 -0.101 50 20 DBGD COC(=O)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 490555444 DOPJKJZVDPHENR-UHFFFAOYSA-N 324.249 -0.293 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)C1(C(=O)NC2CC2)CCC1 584909287 BZRTVMWTISLERO-UHFFFAOYSA-N 302.139 -0.246 50 20 DBGD Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584929109 NMTKCLDXUVNYGO-LBPRGKRZSA-N 314.154 -0.485 50 20 DBGD CCCCn1nnnc1CNC(=O)c1cc(B(O)O)ccc1F 584950210 WLRLRQJGBZQFRG-UHFFFAOYSA-N 321.121 -0.778 50 20 DBGD CCOCc1nc([C@@H](C)NC(=O)c2cccc(B(O)O)c2)no1 584990925 OIZKNUSVFWGKMO-SECBINFHSA-N 319.126 -0.223 50 20 DBGD O=C(NCc1cc2n(n1)CCCO2)c1cc(B(O)O)ccc1F 584994183 ZWEJPUAXFRYKLJ-UHFFFAOYSA-N 319.101 -0.586 50 20 DBGD CN(CC(=O)NNC(=O)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 728608365 VKMFPCDMQMMDIS-SNVBAGLBSA-N 319.427 -0.311 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C1(C(N)=O)CC1 731597527 ZUKKWMGECNJQGZ-UHFFFAOYSA-N 307.306 -0.513 50 20 DBGD C[C@@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN1C 741461132 FDBPFAZVBKUBHR-KOLCDFICSA-N 302.400 -0.057 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)CC(=O)N(C)C 744385914 ZERQWZKARCQANH-UHFFFAOYSA-N 317.349 -0.661 50 20 DBGD CC(C)c1ncc(S(=O)(=O)NNC(=O)N2CCOCC2)[nH]1 747608891 LVSXWCAEQOQTGH-UHFFFAOYSA-N 317.371 -0.232 50 20 DBGD Cc1ccc(C(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748241290 UQNBGZWENXITAK-UHFFFAOYSA-N 303.318 -0.052 50 20 DBGD CCn1nccc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 757903136 OOMZMJXWLXWMLK-MRVPVSSYSA-N 315.355 -0.510 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccncc1Cl 758047866 OJYYWNAGWHAZIP-ZCFIWIBFSA-N 320.758 -0.566 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H](C)CS(C)(=O)=O 769769497 NADHHVQZODPXDY-ZETCQYMHSA-N 313.470 -0.475 50 20 DBGD COC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCCCC1 776139313 QBZRDPGTSAWLES-VIFPVBQESA-N 321.399 -0.579 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)n2)cc1C 785710611 XSJIINKMKJAQAN-UHFFFAOYSA-N 316.321 -0.168 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1occ2c1CCC2 806787930 PXSYYBDJGRMUSQ-ZETCQYMHSA-N 315.351 -0.533 50 20 DBGD O=C(O)C[C@H]1CSCCN1CC(=O)NNC(=O)C1CC1 833221400 KUVNYSHENNFOLY-VIFPVBQESA-N 301.368 -0.564 50 20 DBGD NC1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 843344902 GCDPGEHRJCHHJS-UHFFFAOYSA-N 321.337 -0.221 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 843979629 PMXWQMDABNECDA-NGZCFLSTSA-N 321.337 -0.665 50 20 DBGD Cc1nn(CC(=O)NNC(=O)CNc2ccccc2)c(=O)n1C 848367628 KIWWKODQRRONHP-UHFFFAOYSA-N 318.337 -0.850 50 20 DBGD Cc1cc(=NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc[nH]1 862509192 HCXFMZAHOXXENE-OAHLLOKOSA-N 317.349 -0.024 50 20 DBGD COC(=O)c1cncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 864232650 RNNFFNHDQGHWMN-VIFPVBQESA-N 314.128 -0.894 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1117432496 LPJRPKNKZARBJY-UHFFFAOYSA-N 318.337 -0.526 50 20 DBGD C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)C(=O)NC1CC1 1318963788 LVKUTWZAQUPEOA-QMMMGPOBSA-N 300.359 -0.608 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1ccc[nH]1 1320874774 PJSKFTGCQLBSHP-UHFFFAOYSA-N 300.340 -0.441 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C 1321480516 SFKKQZFWKJGEGK-ZETCQYMHSA-N 318.330 -0.597 50 20 DBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNc1cccnn1 1325555430 SZUZEKGTVNPSGR-UHFFFAOYSA-N 301.306 -0.016 50 20 DBGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1325975305 JENFRSFOUHKICD-VHSXEESVSA-N 314.386 -0.096 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1329240239 SDBQBVPEADAWOG-VHSXEESVSA-N 319.383 -0.657 50 20 DBGD O=C(NNC(=O)N1CCN([C@H]2CCOC2)CC1)c1ncccn1 1329911305 KMYWUSVNDRKLBB-NSHDSACASA-N 320.353 -0.763 50 20 DBGD CC(C)n1cc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1335364940 ZYNAQZFJGTWRIY-SECBINFHSA-N 315.355 -0.948 50 20 DBGD CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 1520640012 OHTHUSNVDJCXNY-SNVBAGLBSA-N 322.145 -0.554 50 20 DBGD O=C(NN=Cc1nc(CO)cs1)[C@@H]1CN2CCC[C@H]2CO1 1550356429 VSLZDFWPEKKOKY-QWRGUYRKSA-N 310.379 -0.051 50 20 DBGD Cc1nnc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cn2)n1C 1592449092 GXZSVFXRBUOVHI-UHFFFAOYSA-N 315.301 -0.153 50 20 DBGD NC(=O)c1ccc(CC(=O)NNc2ncccc2C(=O)O)cn1 1594651285 XZUWPVCKPFDFIJ-UHFFFAOYSA-N 315.289 -0.041 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(OCC(N)=O)c(OC)c1 139238889 BASMTKHIWQDACX-UHFFFAOYSA-N 310.310 -0.477 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 265627188 LTDSHFONBRWOKP-UHFFFAOYSA-N 303.296 -0.195 50 20 DBGD O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)C(=O)N1CCCC1 272420339 KCTORTNYULOZHT-GQCTYLIASA-N 319.317 -0.119 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCCC(N)=O 496523721 KJNLEBXENVXSSD-UHFFFAOYSA-N 316.358 -0.296 50 20 DBGD O=C(NCCCCN1CCOCC1)c1ccc(B(O)O)c(F)c1 584930613 OGJOADCJQLCMKN-UHFFFAOYSA-N 324.161 -0.652 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CN2CCOCC2)C1 584953514 VYBDYVIEOGCRDW-ZDUSSCGKSA-N 318.182 -0.839 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC2(CCOCC2)C1 584965285 PNWQXCCDUFRBGU-UHFFFAOYSA-N 323.129 -0.473 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@@]2(CCOC2)C1 584977372 MFZMRYIAKSSPSR-AWEZNQCLSA-N 309.102 -0.863 50 20 DBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@@]1=O 584982606 LRUQNODEBYCQMH-BTKVJGODSA-N 313.159 -0.511 50 20 DBGD O=C(Nc1cc2n(n1)CCCC2)c1cc(B(O)O)ccc1F 584988670 DDENFKAUGNGWRY-UHFFFAOYSA-N 303.102 0.291 50 20 DBGD COCC[C@@](C)(O)C(C)(C)CNC(=O)c1cccc(B(O)O)c1 585006674 GEKFTXRSYHZKCM-MRXNPFEDSA-N 323.198 -0.090 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCc2n[nH]cc2C1 585009716 BXZIWJPHUSAQRG-UHFFFAOYSA-N 303.102 -0.183 50 20 DBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNC(=O)c1ccc[nH]1 729617790 HAYRQXOPVMTSCL-QWRGUYRKSA-N 307.354 -0.178 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)CCc1ccccc1O 730033883 ZUAAIYXSTWZXMT-UHFFFAOYSA-N 314.363 -0.093 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn2ccccc12 731964984 RZZFIJCXQTWMCM-SECBINFHSA-N 322.346 -0.470 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2ccc(S(N)(=O)=O)nc2)n1 763524900 OLJLVFCFWRICEP-UHFFFAOYSA-N 322.350 -0.107 50 20 DBGD O=C(CN[C@@H]1CCCC[C@H]1N1CCOCC1)NNC(=O)C1CC1 769799535 HLRROGRNADGJGJ-ZIAGYGMSSA-N 324.425 -0.223 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc2c[nH]nc2cc1C 792267168 WIKAEJJNMAHVQP-UHFFFAOYSA-N 319.321 -0.006 50 20 DBGD COc1coc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1=O 798834437 YFVAJXCJQYFFNO-UHFFFAOYSA-N 320.305 -0.077 50 20 DBGD O=C(CN[C@]1(CO)CCOc2ccccc21)NNC(=O)C1CC1 799338201 YHNXULJBZLTWRA-INIZCTEOSA-N 319.361 -0.196 50 20 DBGD O=C(CCCNC(=O)C1CC1)NNC(=O)N=c1cc[nH]cc1 802031210 BRICQTYBZOQJRU-UHFFFAOYSA-N 305.338 -0.037 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C[C@H]1CCCC(=O)N1 808344143 OCOLNONGURVSGG-SECBINFHSA-N 322.321 -0.784 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc3[nH]c(O)nc3c2)CC1 809795504 RFKKNQFDQILTTI-UHFFFAOYSA-N 319.325 -0.735 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(OCCCN)CC1 843356146 RRHFPPVDVDFLEQ-NSHDSACASA-N 300.403 -0.238 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccncc1 843972601 VEAXSIRTSSQSOL-ONGXEEELSA-N 306.322 -0.616 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNCC(F)(F)C(F)(F)F 862105876 YOKRJVMFTPBDEI-UHFFFAOYSA-N 320.218 -0.991 50 20 DBGD COc1ccc(OC)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862448504 FEAPSIQSORYBCM-JTQLQIEISA-N 307.306 -0.257 50 20 DBGD Cc1cc(=NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc[nH]1 862514052 PLPZQSQERIOUAW-JTQLQIEISA-N 313.383 -0.829 50 20 DBGD COC(=O)[C@]1(C)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 863876047 MLPTXHIBEBOEJZ-CQSZACIVSA-N 309.102 -0.469 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)N(C)C)C[C@@H](C)O1 877999075 NIZKMRZXFZOUPG-IJLUTSLNSA-N 300.403 -0.417 50 20 DBGD O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NNc1nccc(N2CCOCC2)n1 896666770 UBUNSVAXORHPMY-WQAKAFBOSA-N 317.349 -0.019 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCC12OCCO2 913732665 DVDNUEONVHNWNF-JTQLQIEISA-N 311.338 -0.701 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc2c[nH]nc12 920436070 VMVQTUJZOKBVNG-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD Cc1noc([C@@H](C)NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)n1 1115948486 AAXBWCWSJSHKPO-RDDDGLTNSA-N 317.371 -0.180 50 20 DBGD O=C(CC[C@@H]1CCCO1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317977751 KCSOFPQZLQYRTE-ZJUUUORDSA-N 319.383 -0.537 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 1319242151 BBGVVPMJMIVEJY-VIFPVBQESA-N 320.353 -0.333 50 20 DBGD CO[C@]1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCOC1 1320251647 NZEAUOJCSOWBJO-RYUDHWBXSA-N 321.399 -0.827 50 20 DBGD CCCCNC(=O)NNC(=O)c1cn(Cc2noc(C)n2)nn1 1320906729 ANTVVHVACPSOCR-UHFFFAOYSA-N 322.329 -0.238 50 20 DBGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)c1cnn(C)c1)C2 1325903352 KNNRINFBXAYLHO-JTQLQIEISA-N 302.338 -0.051 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O 1330544142 DGTRRUFACDRQOG-XHNCKOQMSA-N 307.372 -0.825 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1c(C2CC2)cnn1C 1333702468 ZJWGHAVUYVLDPA-QMMMGPOBSA-N 313.383 -0.315 50 20 DBGD O=S(=O)(c1[nH]cnc1Br)N1CC[C@H](B(O)O)C1 1348490046 LDRVFCFYIBUAGI-YFKPBYRVSA-N 323.965 -0.590 50 20 DBGD CN(NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O)c1ccccn1 1593766160 GSGULLVHKOTTOP-JTQLQIEISA-N 306.322 -0.128 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 1599747281 NJJCOTHMAKTPEO-HTQZYQBOSA-N 306.340 -0.931 50 20 DBGD Cc1c(NNC(=O)Cn2c(O)nnc2O)cccc1C(=O)O 1600051854 XHTBTFJGLXOOOZ-UHFFFAOYSA-N 307.266 -0.161 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1OC 1604860708 YFXRDVNQJTZGLP-UHFFFAOYSA-N 309.278 -0.111 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 15639406 IAZCXPHMPURGDE-LLVKDONJSA-N 307.331 -0.246 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1n[nH]c(=O)c2ccccc12 15941198 VWRQLZFFZHVIMZ-SNVBAGLBSA-N 302.290 -0.137 50 20 DBGD CNC(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 111267659 UBRCOILQJCGOKC-ZDUSSCGKSA-N 318.377 -0.094 50 20 DBGD Cn1c(=O)n(CCC(=O)NNC(=O)C(C)(C)O)c2ccccc21 190045930 OUSNSLKWSRESMQ-UHFFFAOYSA-N 320.349 -0.352 50 20 DBGD CC(C)N(C)S(=O)(=O)NNC(=O)COc1ccccc1O 264668483 ZVDQMJOKVRYHGZ-UHFFFAOYSA-N 317.367 -0.023 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCOC1 268886381 VVYOPQZYPZTDJA-LLVKDONJSA-N 306.322 -0.615 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 277933437 KAZNCEJXKFXLLU-UHFFFAOYSA-N 324.293 -0.757 50 20 DBGD CSC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCC1 280158199 XPUUDISMYNWKNS-UHFFFAOYSA-N 300.384 -0.119 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1cccnn1 365419873 IVULYAFLCZMCGO-UHFFFAOYSA-N 304.310 -0.216 50 20 DBGD CN(NC(=O)CN1CCCS1(=O)=O)C(=O)OC(C)(C)C 495879399 ZYHDABGZDRZEKK-UHFFFAOYSA-N 307.372 -0.080 50 20 DBGD COCCCn1cc(C(=O)Nc2cccc(B(O)O)c2)cn1 584911764 MUZMVCWMAPNXLL-UHFFFAOYSA-N 303.127 -0.148 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CC12CCS(=O)(=O)CC2 584914344 VFYZZXUAYQDMDV-LBPRGKRZSA-N 323.179 -0.480 50 20 DBGD C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584931706 FIEKWWDAAMTLHH-SCZZXKLOSA-N 308.118 -0.769 50 20 DBGD CN1CCC[C@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@H]21 584963661 WSQLQSJJXBQXPT-DZGCQCFKSA-N 302.183 -0.077 50 20 DBGD Cn1cncc1[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCO1 585037497 ZUFDEWWAZWOKNK-GWCFXTLKSA-N 305.143 -0.297 50 20 DBGD N#Cc1cc(Br)cc(S(=O)(=O)NCB(O)O)c1 585056588 YWUPHICITUZSJV-UHFFFAOYSA-N 318.945 -0.389 50 20 DBGD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585060780 JXVKTPLTNIPINI-QMMMGPOBSA-N 300.101 -0.168 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccc[nH]2)cc1 728312547 WUIQCSSUGHRIPZ-UHFFFAOYSA-N 322.346 -0.334 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)Cn1cccnc1=O 731344571 RXMWVPPHYYDENZ-UHFFFAOYSA-N 304.281 -0.228 50 20 DBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)C1CCC1 732245609 BMPMGDVPXYFKBW-UHFFFAOYSA-N 320.415 -0.165 50 20 DBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)C2CCC2)cn1 743258455 FBLWDEFRHMNTSM-UHFFFAOYSA-N 316.339 -0.834 50 20 DBGD C=CCNC(=S)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748855542 PQTXAFUSUPWIHC-UHFFFAOYSA-N 311.323 -0.562 50 20 DBGD COC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCCC1 754164858 UZOPKPDCKBTCCZ-VIFPVBQESA-N 304.368 -0.472 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc2c(cc1O)OCO2 769741106 HLKCVCZSLIWTKH-UHFFFAOYSA-N 309.278 -0.193 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1ccccn1 777467978 PXPIVIZXJOBEOZ-UHFFFAOYSA-N 302.356 -0.519 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1 788229785 CQVWBSMCOIDONC-SNVBAGLBSA-N 314.367 -0.892 50 20 DBGD C[C@H]1C(=O)NCCCN1CC(=O)NNC(=O)c1cccs1 788276390 XPEMIZVIFJMFJH-VIFPVBQESA-N 310.379 -0.281 50 20 DBGD C[C@H]1CCNC(=O)[C@H]1NC(=O)NNC(=O)Cc1cccnc1 799369977 SYQAGNHPENZBQW-CABZTGNLSA-N 305.338 -0.521 50 20 DBGD COc1ccc(CC(=O)NNC(=O)N2CCN(C)CC2)nc1 807380787 QCDGLYPDUKDPJL-UHFFFAOYSA-N 307.354 -0.379 50 20 DBGD O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNc1nc[nH]n1 816631253 LBRCTEDLNDBPSF-DTORHVGOSA-N 306.326 -0.187 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccccc1F 816814295 NEHJPYFTOGBSIF-MRVPVSSYSA-N 317.342 -0.086 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1cnn(C)n1 826863426 VQQQQNCCSHHZBB-MWLCHTKSSA-N 310.358 -0.497 50 20 DBGD O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNS(=O)(=O)CCl 830833609 IVLQLNFDSMDQML-AXTSPUMRSA-N 318.782 -0.091 50 20 DBGD C[C@]1(CNC(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1Br 857384894 BMHWHCSZCVVPJV-ZXFLCMHBSA-N 311.201 -0.032 50 20 DBGD CCC(CC)[C@H](O)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858698454 VPLKODKCTLWKDN-NXEZZACHSA-N 300.359 -0.608 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)c1cn[nH]c1 862471473 FZYVHJLBWMTMPJ-UHFFFAOYSA-N 302.356 -0.224 50 20 DBGD C[C@H](O)CN(C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 910181983 DZDYXPUKWZKCEJ-SDDRHHMPSA-N 311.382 -0.105 50 20 DBGD O=C(NCCNC(=O)c1ccco1)NNC(=O)c1ccc[nH]1 916259577 PQOATDOCIHVAND-UHFFFAOYSA-N 305.294 -0.018 50 20 DBGD CC(C)C(=O)NNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 920238454 CYXTZCPDRHCMEA-VIFPVBQESA-N 306.388 -0.603 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=S)Nc1ccccn1 1123976441 YPPDVKSFCKUFTH-WDEREUQCSA-N 320.422 -0.213 50 20 DBGD O=C(NCCC1(O)CCC1)NNC(=O)C(=O)Nc1ccccn1 1261088787 UPBOHVVULYKKKK-UHFFFAOYSA-N 321.337 -0.344 50 20 DBGD O=C(NNS(=O)(=O)CCCCF)[C@@H]1CCS(=O)(=O)C1 1261252425 KVQCYCHSAWJBDQ-MRVPVSSYSA-N 316.376 -0.879 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)c(O)n1 1320356552 AOJVYLDERGHYBS-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD C=C[C@@](C)(CCOC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1320573874 HMGMWVMIXUTHJR-GWCFXTLKSA-N 318.395 -0.203 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 1323435221 XEIZJLAPBARXJI-PHIMTYICSA-N 314.386 -0.142 50 20 DBGD CCn1cc(CC(=O)NNc2nc(O)c3cnn(C)c3n2)cn1 1324277178 NHOPOZPCYXAKGU-UHFFFAOYSA-N 316.325 -0.029 50 20 DBGD C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NNC(=O)c1cn[nH]c1 1328803255 BGEOBPWPDPHCTM-PWSUYJOCSA-N 322.369 -0.441 50 20 DBGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329645400 XVGOIWRCJZENJL-OIBJUYFYSA-N 307.354 -0.434 50 20 DBGD COCCOCC(=O)NNC(=S)NC1CCN(C)CC1 1329709547 ROYQANNBJGISGJ-UHFFFAOYSA-N 304.416 -0.761 50 20 DBGD CCCN1C[C@@H](CNC(=O)NNC(=O)c2cn[nH]c2)CC1=O 1329755431 QEHVYMHLQJOYQB-SECBINFHSA-N 308.342 -0.388 50 20 DBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)Cc1cc(O)nc(O)n1 1330028603 IEWKUHNBKMKMDY-MRVPVSSYSA-N 307.310 -0.409 50 20 DBGD CN(C)C(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1330109266 USMKFXZABHHWFY-LLVKDONJSA-N 318.333 -0.572 50 20 DBGD Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1334906674 AOMWQKXXIJTBRG-MUWHJKNJSA-N 309.326 -0.039 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ncccc1C(=O)O 1573928498 AKVHEMJMSBIALC-ZETCQYMHSA-N 316.339 -0.449 50 20 DBGD O=C(CN1CCNCC1)NNc1cc(O)nc2ncccc12 1574300515 NOBPKWWQJCXUJX-UHFFFAOYSA-N 302.338 -0.316 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)[C@H]2CCCNC2)CC1=O 1575596415 YKDQOTFFYFMBRI-RYUDHWBXSA-N 310.398 -0.362 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(C(=O)O)c1 1594163874 NBPRLEFLQGPJIK-UHFFFAOYSA-N 300.292 -0.810 50 20 DBGD O=C(O)[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C1CC1 1595187191 XIISAUMFAMLDKK-QWHCGFSZSA-N 303.123 -0.451 50 20 DBGD O=C(O)COCC(=O)NNC(=S)NCCc1cccs1 1606272728 CYZVDIABYDXMQZ-UHFFFAOYSA-N 317.392 -0.113 50 20 DBGD C#CCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 29657919 VGABJBVNHGSGQV-UHFFFAOYSA-N 323.378 -0.135 50 20 DBGD C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccc(Cl)c1 104691313 HSOFLUOWALEFGX-VIFPVBQESA-N 324.768 -0.079 50 20 DBGD C[C@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)N(C)C1CC1 105264818 WYJRETMAQUCTKU-MFKMUULPSA-N 318.443 -0.150 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)N(C)C 151306368 XPYQQDLBIRWKMA-XQQFMLRXSA-N 314.430 -0.027 50 20 DBGD COCCN(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 293688039 RZRZPZNVRRSNME-UHFFFAOYSA-N 317.367 -0.013 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2ccccc21)S(C)(=O)=O 298689241 ZUGXLFJPJXKVAS-VIFPVBQESA-N 324.362 -0.383 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)c1cccc(N(C)C)c1 299012442 BSGFNFKJIBEKSM-UHFFFAOYSA-N 313.379 -0.052 50 20 DBGD Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(B(O)O)cc2)n1 584937718 ASMHDYZJFJCNHJ-LLVKDONJSA-N 301.155 -0.002 50 20 DBGD C[C@@H](CCn1cncn1)NC(=O)c1cc(B(O)O)ccc1F 584959666 FBIATIXNWABZAH-VIFPVBQESA-N 306.106 -0.694 50 20 DBGD CN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(B(O)O)c2)C1 584965271 OXWNKYGWZXJXQD-HIFRSBDPSA-N 302.183 -0.077 50 20 DBGD CN1CC[C@@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@H]2C1 584972500 YPEKBUPLHGKAFT-YGRLFVJLSA-N 306.146 -0.328 50 20 DBGD O=C1CCc2cc(S(=O)(=O)NCB(O)O)c(F)cc2N1 585053709 BYEUHEPPUOHKNX-UHFFFAOYSA-N 302.092 -0.999 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCCCl 696853311 KCOILUHGTSICFC-SFYZADRCSA-N 305.805 -0.653 50 20 DBGD CO[C@H](C)C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 728732811 NPCLXPJPUILCQW-MRVPVSSYSA-N 315.351 -0.280 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)c1ccccc1 731866586 PIGIFKJLSNCWDX-UHFFFAOYSA-N 320.349 -0.520 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC(C(=O)O)CC1 737694590 KYJKJYGGCBSMHO-GVHYBUMESA-N 305.356 -0.329 50 20 DBGD COC[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 741793846 BLTPREBBBRYADI-SNVBAGLBSA-N 313.379 -0.144 50 20 DBGD CS[C@H]1CC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 745894488 FFMZQMZCDNSOKE-IUCAKERBSA-N 300.384 -0.121 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 745986541 XXWJXEPGKQPGOU-LLVKDONJSA-N 312.370 -0.292 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CCC[C@@H]1C 769651017 PNDGXGWLNSUIAD-LPEHRKFASA-N 305.400 -0.102 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 776106922 ILHNOZQSTOTRKS-JTQLQIEISA-N 320.349 -0.267 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)on1 777796282 XGCHTCKCIHFVQD-UHFFFAOYSA-N 321.293 -0.264 50 20 DBGD CN(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O 778415206 AQMHQILQGUFKGK-UHFFFAOYSA-N 300.340 -0.408 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)CCNC(N)=O)nc1C 778436502 QZDODWCMOXOIIR-UHFFFAOYSA-N 310.314 -0.537 50 20 DBGD CC(=NNC(=O)Cc1cc(C)[nH]n1)c1cn(CC(=O)O)nn1 825798648 PZLGUNZRODWITG-UHFFFAOYSA-N 305.298 -0.523 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1-n1cnnn1 843647886 ORTBCNSSTBVKOO-NXEZZACHSA-N 316.321 -0.152 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)CC2 845553995 CCNVOLNKFJWHJJ-JTQLQIEISA-N 302.338 -0.051 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc(CC(=O)OC)cc1 846374590 UIMWJZZTFAEVEF-UHFFFAOYSA-N 315.351 -0.606 50 20 DBGD C[C@@H](NC(=S)NNC(=O)C1(S(C)(=O)=O)CC1)C1CC1 855097448 QNKYLLZSZHYWJQ-SSDOTTSWSA-N 305.425 -0.143 50 20 DBGD CCO[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 858173889 ITSXCXFCKISHJA-VHSXEESVSA-N 304.368 -0.616 50 20 DBGD C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858276003 NDZNLYXNYCONNA-QWRGUYRKSA-N 311.386 -0.530 50 20 DBGD Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862451458 NAOSYHKYPWHDBJ-GHMZBOCLSA-N 307.354 -0.123 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C(C)(C)C)n1 862458097 XIQULPVUIDQSFP-SECBINFHSA-N 307.354 -0.243 50 20 DBGD CN(C)CC(C)(C)CNC(=S)NNC(=O)[C@H]1CCC(=O)N1 863203676 ILLMVONHEUNWIW-SECBINFHSA-N 315.443 -0.652 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCCCCC(=O)C1 863466218 OUFKOZLWPWDZPV-SECBINFHSA-N 304.368 -0.282 50 20 DBGD CCOC(=O)N1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 863879653 XGPQGYPGTXWAAV-LBPRGKRZSA-N 306.127 -0.673 50 20 DBGD CN1CCN(CC(=O)NNC(=S)Nc2ccccn2)CC1=O 874955926 GVVKVPZLAJRPGD-UHFFFAOYSA-N 322.394 -0.827 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@H]2OCCN(C)C2=O)c1 907263490 HIUYGLXHXICPTO-LLVKDONJSA-N 307.306 -0.227 50 20 DBGD C[C@@H](CC(=O)NNC(=O)CN1CCCC1=O)c1cnn(C)c1 913733294 DCHSZPXEOBKLEO-JTQLQIEISA-N 307.354 -0.317 50 20 DBGD CO[C@]1(CNC(=O)NNC(=O)C2CCOCC2)CCOC1 1119290344 SFPXDXWDAGLSOB-ZDUSSCGKSA-N 301.343 -0.451 50 20 DBGD O=C(CC1CC1)NNC(=O)Cn1nc2n(c1=O)CCCCC2 1261251368 VJIVKUALFOKCBE-UHFFFAOYSA-N 307.354 -0.281 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncoc2C(F)(F)F)N1 1261830435 WTVHWSZNYZTSRG-BYPYZUCNSA-N 306.200 -0.267 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 1317771734 NHXDLVOAMJFARK-VIFPVBQESA-N 322.456 -0.296 50 20 DBGD COCCCNC(=O)NNC(=O)Cc1nc2ncccn2n1 1318030118 IGSNHAWUAIXOQE-UHFFFAOYSA-N 307.314 -0.966 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2occ3c2CCOC3)nn1 1324879259 VMOMHTGAMWOOQX-UHFFFAOYSA-N 303.278 -0.002 50 20 DBGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1325975306 JENFRSFOUHKICD-ZJUUUORDSA-N 314.386 -0.096 50 20 DBGD COCc1ccccc1C(=O)NNC(=O)CS(C)(=O)=O 1331833526 JCHZMCWMZVSXBD-UHFFFAOYSA-N 300.336 -0.361 50 20 DBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331877596 IDZFLAWOKRRQON-NSHDSACASA-N 307.354 -0.604 50 20 DBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)C(C)C)c2C1 1338972723 LZFJBGHGPCQDOK-LLVKDONJSA-N 321.381 -0.001 50 20 DBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 1340494769 NIBICNGESGYWNC-SKDRFNHKSA-N 320.301 -0.073 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(Br)n1 1340760570 MAGXTLRLWKSDBZ-UHFFFAOYSA-N 301.100 -0.050 50 20 DBGD CN(C(=O)/C(C#N)=C\c1cnn(C)c1)N1CCS(=O)(=O)CC1 1348201232 SVGZVJVEWDQOEK-GHXNOFRVSA-N 323.378 -0.569 50 20 DBGD CCn1nnc(C)c1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549313733 HTQDVHGVQSHNEY-DGCLKSJQSA-N 306.370 -0.080 50 20 DBGD N#Cc1ccc(NNC(=O)NCCOCCOCC(=O)O)nc1 1574487545 CBACQPBPBGWIMM-UHFFFAOYSA-N 323.309 -0.303 50 20 DBGD CC(C)NC(=S)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1591661187 WADRZJKZMHQZBM-MRVPVSSYSA-N 316.383 -0.787 50 20 DBGD O=C(CCn1cnnn1)NNc1ccc(-c2nn[nH]n2)cc1 1592863174 RVWDXULIHMEEFQ-UHFFFAOYSA-N 300.286 -0.613 50 20 DBGD O=C(NNC(=O)c1cccnn1)c1coc(-c2nn[nH]n2)c1 1593159032 STFMDXQCJGSGQN-UHFFFAOYSA-N 300.238 -0.676 50 20 DBGD Cc1cc(C(=O)O)c(NC(=O)C(=O)NNC(=O)CCO)s1 1600102704 MYEOGVPRZITKBU-UHFFFAOYSA-N 315.307 -0.777 50 20 DBGD N#CC1(C(=O)O)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1601055640 UFMJRDVXPNYUKO-UHFFFAOYSA-N 320.085 -0.664 50 20 DBGD C=CCNC(=S)NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1602901909 DNJBOOXUVAQHLD-DTWKUNHWSA-N 301.368 -0.062 50 20 DBGD CN1CCN(C)CC(C(=O)NNc2ncccc2C(=O)O)C1 1604221754 UTHPTMPANPISBG-UHFFFAOYSA-N 307.354 -0.284 50 20 DBGD CCC(CC)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 7764121 KRJPZLUYTVIQHN-UHFFFAOYSA-N 313.383 -0.137 50 20 DBGD O=C(Cn1cnc2sccc2c1=O)NNC(=O)[C@@H]1CCCO1 32258989 GXJQKNKOTUAUSC-VIFPVBQESA-N 322.346 -0.216 50 20 DBGD Cn1cnc2cc(C(=O)NNC(=O)C(=O)N3CCCC3)ccc21 126138404 GNNMVAKGGAZISC-UHFFFAOYSA-N 315.333 -0.043 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 367507274 KJLWQDFDOPFQNI-QMMMGPOBSA-N 312.326 -0.031 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 370344433 XKPCVYNDIDZUQR-LBPRGKRZSA-N 305.334 -0.640 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)NC1CCCC1 584935107 YRAFOXSDGGUQQQ-SNVBAGLBSA-N 304.155 -0.457 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(n2cncn2)CC1 584937963 SOYWHRNTHPWTQQ-UHFFFAOYSA-N 318.117 -0.426 50 20 DBGD C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584943853 HFAZXYLXFASQGU-ZDUSSCGKSA-N 302.139 -0.727 50 20 DBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCB(O)O)cc1 585058179 VCPHHFANAFXWFB-UHFFFAOYSA-N 314.172 -0.495 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1ccccc1[N+](=O)[O-] 731873842 XIQNORHKVPUBSV-UHFFFAOYSA-N 307.266 -0.020 50 20 DBGD CC(C)CC(=O)NCCC(=O)NNC(=O)N1CCOCC1 741680085 JHZLTOHUSSFALD-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD O=C(NN=C1C(=O)Nc2cc(O)ccc21)C(=O)N1CCCC1 748136943 YKLBKOYXWBCLII-UHFFFAOYSA-N 302.290 -0.213 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1nc2ccccn2n1 760031610 QZLNODCGIBQSOW-UHFFFAOYSA-N 300.282 -0.152 50 20 DBGD CCC(C)(C)NC(=S)NNC(=O)[C@H](C)NS(C)(=O)=O 774175538 CQCJQGKCMBNNIU-ZETCQYMHSA-N 310.445 -0.392 50 20 DBGD C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)N(C)CC(F)(F)F 792854830 UKKCWEDVFPDAKJ-LURJTMIESA-N 310.276 -0.705 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1nccnc1C1CCC1 805470093 QMODBKNABVREFX-UHFFFAOYSA-N 320.353 -0.561 50 20 DBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 812453689 QHNKXUMRNRBGCA-LPEHRKFASA-N 306.384 -0.513 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)c(F)c1 826972136 YHYSCJYZGHSEHS-UHFFFAOYSA-N 311.269 -0.191 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@H]2C)c1 841375687 KWGSBMBGFFPYEZ-CPCISQLKSA-N 323.305 -0.038 50 20 DBGD O=C(CN1CCC(n2cnnc2O)CC1)NNC(=O)C1CC1 846883122 RJPNNGDQOZSQOL-UHFFFAOYSA-N 308.342 -0.822 50 20 DBGD CN(NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C(=O)OC(C)(C)C 854918844 MJPBICAZWHYEBL-OPRDCNLKSA-N 302.327 -0.703 50 20 DBGD CNC(=S)N(C)NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 854921884 QLDCCQLMSBPTTK-UHFFFAOYSA-N 318.399 -0.565 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CS(=O)(=O)C1CC1)C1CC1 855094945 GYEQVFPJZPJHRE-SSDOTTSWSA-N 305.425 -0.143 50 20 DBGD CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858254037 BKSHVWHLVOHGBU-IWSPIJDZSA-N 300.384 -0.121 50 20 DBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862464102 SEGHMCUVMLGSLB-WDEREUQCSA-N 312.370 -0.647 50 20 DBGD CN1CC(=O)N(CC(=O)NNCC(F)(F)C(F)(F)F)C1=O 863090817 ACAZIFIKHYOJDI-UHFFFAOYSA-N 318.202 -0.301 50 20 DBGD CCc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 863412007 FMISKKUTYYXVAM-NSHDSACASA-N 311.363 -0.163 50 20 DBGD O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc(B(O)O)ccc1F 863877650 CCIFGSRGPOJASR-LLVKDONJSA-N 323.129 -0.079 50 20 DBGD CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 863879432 SPEWATYLAYSITN-DTWKUNHWSA-N 311.118 -0.177 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)NC1CCCCC1 920407912 IMOLDNLWJUXDEB-UHFFFAOYSA-N 306.388 -0.411 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 1116596413 RMVWGZWDVJBWJO-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCc2c(nnn2C)C1 1118393123 AUGZWCSYZUESAW-AEJSXWLSSA-N 322.369 -0.572 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ocnc1C1CC1 1261177939 FIHVFZQCCXFCAQ-LURJTMIESA-N 316.339 -0.749 50 20 DBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1261789741 NTSSNICXDNGWPY-SSDOTTSWSA-N 303.344 -0.823 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cnn(CC(F)(F)F)c1 1320700194 ACLNFJJFPYSIKZ-UHFFFAOYSA-N 301.250 -0.432 50 20 DBGD CSCCNC(=S)NNC(=O)Cn1cc([C@@H](C)O)nn1 1324764676 RICQBXKWMZWREU-SSDOTTSWSA-N 318.428 -0.810 50 20 DBGD CCc1nocc1CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1328718464 LMMSTNPZGVMTMC-SNVBAGLBSA-N 309.326 -0.312 50 20 DBGD CN(C)c1ncc(CNC(=O)NNC(=O)c2cnn(C)c2)n1C 1331363915 LHNWDAYRJBOXSO-UHFFFAOYSA-N 320.357 -0.636 50 20 DBGD O=C(NN=Cc1cnc2n1CCC2)N[C@H]1CCS(=O)(=O)C1 1333699870 LZRFOYDORVTRQO-VIFPVBQESA-N 311.367 -0.351 50 20 DBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 1589219022 GHJUYWRZFWCQAN-RMLUDKJBSA-N 321.337 -0.511 50 20 DBGD CC(C)CC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1589536234 JBBDTLDUOGHFOF-UHFFFAOYSA-N 314.327 -0.185 50 20 DBGD CS(=O)(=O)SCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591679832 HEVPBOWJYSAHMQ-UHFFFAOYSA-N 316.368 -0.383 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1 1592879182 ZBWARFXVJJRUMJ-UHFFFAOYSA-N 317.309 -0.111 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2coc(/C=C\C(=O)O)c2)CC1 1593780635 AGCFGDNHAFVFBI-IHWYPQMZSA-N 322.321 -0.021 50 20 DBGD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1597250593 TVWZKQFIJKMXBU-UWCLWIGYSA-N 305.356 -0.519 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)O)c1 1603902792 NNMGEPKDTDJSGE-UHFFFAOYSA-N 317.323 -0.009 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)c1C 1606774382 NPEOSBBKJFXHTL-UHFFFAOYSA-N 309.278 -0.574 50 20 DBGD O=C(O)C[C@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 1608703703 JCWMEVUXJBGPRT-NSHDSACASA-N 309.152 -0.601 50 20 DBGD C[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1783519200 LIVAKSLPUURELN-AUTRQRHGSA-N 308.737 -0.269 50 20 DBGD CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1792861580 NAXBNBVLLSUZKM-HPENLJRUSA-N 322.764 -0.119 50 20 DBGD COc1ccnc(NNC(=O)NCCCN2C(=O)CCC2=O)n1 264334316 AFZDVEVCNNDNTO-UHFFFAOYSA-N 322.325 -0.350 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 270084986 NPNMGBGTFIPNMN-CQSZACIVSA-N 309.322 -0.292 50 20 DBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC 274929828 CVLUOYMTRAGNRE-ZETCQYMHSA-N 318.330 -0.597 50 20 DBGD CS[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1N(C)C 584968618 ZLKLYVDKVSTLBP-CHWSQXEVSA-N 308.212 -0.516 50 20 DBGD O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(B(O)O)cc1 585004420 DEQDFEGMXHXRJQ-NSHDSACASA-N 316.126 -0.734 50 20 DBGD OB(O)c1ccc(CNCc2nnnn2CC2CC2)c(F)c1 585036793 PPBKLBAYDQDMPG-UHFFFAOYSA-N 305.122 -0.808 50 20 DBGD C[C@@H](C(=O)N1CC[C@H](B(O)O)C1)n1nnc(-c2ccccc2)n1 585068005 XTULQBMQUPDOBX-JQWIXIFHSA-N 315.142 -0.024 50 20 DBGD Cn1nc(C(=O)NNC(=O)CCc2ccccc2O)ccc1=O 730034357 NPIUNIQYNNCMGL-UHFFFAOYSA-N 316.317 -0.120 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1csnc1C(=O)OC 755967488 NQWXKIIKFGQGLF-UHFFFAOYSA-N 322.368 -0.168 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 764300260 WBZWYGSEMYURCF-UHFFFAOYSA-N 306.322 -0.307 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)ccc1-n1cnnn1 768245516 VHSBFJGRRLIVMV-UHFFFAOYSA-N 304.310 -0.497 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1O 768767699 NJXLAHQTIWLEPP-MFKMUULPSA-N 302.334 -0.368 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CSc2n[nH]c(O)n2)c1 772225108 FQUWREPGBUYQRY-UHFFFAOYSA-N 318.318 -0.065 50 20 DBGD Cn1cc([C@@H](CO)NCC(=O)NNC(=O)c2ccccc2)cn1 778137026 IJMVIJWCURKGRS-CYBMUJFWSA-N 317.349 -0.496 50 20 DBGD C[C@H](NS(=O)(=O)CBr)[C@H]1CN(C)CCO1 782475406 ZVOUOUDWHVOQCX-JGVFFNPUSA-N 301.206 -0.023 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2ccc(C(N)=O)cc2)cn1 792599707 ODXCISQPLHQQIB-UHFFFAOYSA-N 301.306 -0.477 50 20 DBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)O1 800333110 MBJSMWIUHKOIBL-KKZNHRDASA-N 306.322 -0.019 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cnn(C)n2)c1 807116151 JMJRDOZSNVHSJJ-UHFFFAOYSA-N 303.282 -0.757 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 816007173 ZXDDEEBEKIIJOY-UHFFFAOYSA-N 319.321 -0.325 50 20 DBGD CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 824134851 AWEJXTVUNFKWGD-VIFPVBQESA-N 323.309 -0.540 50 20 DBGD CCCN1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 840444432 GJIUIDHMDBRDEU-SNVBAGLBSA-N 305.338 -0.085 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)C[C@@H]1CCCOC1 842588406 AYLGAPHADDIZAY-HBNTYKKESA-N 306.384 -0.211 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)S(C)(=O)=O 852710783 BLWUKPLZTCSJMY-RKDXNWHRSA-N 307.372 -0.681 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CCC(=O)N1C 854388210 BCMGWZDJSJNBHP-SNVBAGLBSA-N 315.370 -0.066 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)n1 856423978 DXOCUSZFDVHFLE-UHFFFAOYSA-N 318.330 -0.691 50 20 DBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1cccc(Cl)n1 857323647 UISLURAWUFBKIZ-LLVKDONJSA-N 323.784 -0.114 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)N1 858318669 SGUICROAMYSQRY-IQIPOGNMSA-N 322.365 -0.447 50 20 DBGD Cc1csc(C(=O)NNC(=O)CN2CCCS2(=O)=O)c1 862477448 KHVYASVBCMKREC-UHFFFAOYSA-N 317.392 -0.147 50 20 DBGD COC(=O)NCCCc1nc(-c2cccc(B(O)O)c2)no1 863893594 YZCBBIVNVOXSGN-UHFFFAOYSA-N 305.099 -0.295 50 20 DBGD O=C(CN1CSCCSC1)NNC(=O)c1cc[nH]n1 912307945 UFNHISMBTVIJEK-UHFFFAOYSA-N 301.397 -0.132 50 20 DBGD CCCN1CCC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 913243486 WLNQZINJBWTKGB-SNVBAGLBSA-N 305.400 -0.700 50 20 DBGD C=CCNC(=S)NNC(=O)CCC(=O)N1CCOCC1 920430922 KFTGLDRQMXVTQK-UHFFFAOYSA-N 300.384 -0.693 50 20 DBGD O=C(NNC(=O)C1=CCCCO1)N[C@@H]1CCS(=O)(=O)C1 1116181540 ZOKQSLJBNKFDAI-MRVPVSSYSA-N 303.340 -0.802 50 20 DBGD COC1(CNC(=O)NNC(=O)c2cnn(C)c2)CCOCC1 1116334428 IAIGGEHEMUWLIC-UHFFFAOYSA-N 311.342 -0.440 50 20 DBGD COc1ccccc1C(=O)C(=O)NNC(=O)C(=O)N1CCCC1 1116601968 UTDCROIKVIKUFL-UHFFFAOYSA-N 319.317 -0.352 50 20 DBGD CN1CCN(c2ccc(C=NNC(=O)C(N)=O)cc2F)CC1 1248747682 YIWVQQDCHAJBNQ-UHFFFAOYSA-N 307.329 -0.487 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1ccncc1)N1CCN(C)CC1 1318891988 WFMNQCCNIRSISR-LBPRGKRZSA-N 305.382 -0.593 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1320199454 GQTJGVVPQULWKH-SECBINFHSA-N 321.399 -0.339 50 20 DBGD Cc1cscc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 1320677876 BIGXEXVCNQOWDO-UHFFFAOYSA-N 310.335 -0.579 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1c(C)cc(C)cc1C 1324361622 HXPTWKDFLQIZDU-UHFFFAOYSA-N 307.306 -0.129 50 20 DBGD CCCN1C[C@H](CNC(=O)NNC(=O)c2cn[nH]c2)CC1=O 1329755433 QEHVYMHLQJOYQB-VIFPVBQESA-N 308.342 -0.388 50 20 DBGD COCCOC[C@@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1334930427 KTGFUMJXQFRMSI-SNVBAGLBSA-N 311.342 -0.251 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1337812456 VRMGCLQBOLWHSQ-UHFFFAOYSA-N 324.293 -0.492 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NC3CCOCC3)nc21 1340696219 DDCRLRGYUJDHDP-UHFFFAOYSA-N 307.314 -0.126 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCc3nnn(C)c3C2)cn1 1347447464 LEVXJUJXPHSCGJ-QMMMGPOBSA-N 303.326 -0.885 50 20 DBGD Cn1[nH]cnc1=NC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1351155502 KXFHKCJGRRWLDT-QUBYGPBYSA-N 316.159 -0.535 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)[C@H]1CN(C)CCN1C 1351788465 XPMLVNPMYCKCJD-CMPLNLGQSA-N 308.386 -0.407 50 20 DBGD NCCN1CCC[C@H](C(=O)NNC(=O)c2ccncc2)C1=O 1580311400 SCZMLBXYMARQGO-LLVKDONJSA-N 305.338 -0.960 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H]1CC(C(=O)O)=NO1)C1CC1 1589121378 KDJWSLOLODVFOX-YLWLKBPMSA-N 300.340 -0.490 50 20 DBGD CSCC[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591700794 VMFJJIPFAXIJEZ-QMMMGPOBSA-N 309.355 -0.181 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1592332183 LQSCCLSRMRRAGB-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)O[C@@H]2CCN(CC(=O)O)C2=O)cn1 1594539099 UGVRWSKAOKGUBZ-NEOSZVFXSA-N 318.289 -0.444 50 20 DBGD Cc1coc(CC(=O)O)c1C(=O)NNC(=O)N1CCN(C)CC1 1600641545 JOSOCRYPVDFEJR-UHFFFAOYSA-N 324.337 -0.183 50 20 DBGD Cn1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1C(=O)O 1600965689 JHIZNDNIFXPNOV-UHFFFAOYSA-N 306.282 -0.158 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)O1 1607046778 PJOFBVQQTANOOD-SECBINFHSA-N 316.277 -0.667 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NC2CCN(C)CC2)n1 43180427 WRJPLOPFHHCLMB-UHFFFAOYSA-N 308.386 -0.075 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)[nH]n1 151193836 BKLKOOWMYRZICJ-UHFFFAOYSA-N 307.270 -0.326 50 20 DBGD CC[C@](C)(OC)C(=O)NNC(=O)CNC(=O)c1cccnc1 281527382 QVTQCKSDVGIJGY-AWEZNQCLSA-N 308.338 -0.226 50 20 DBGD O=C(NCCN1CCCS1(=O)=O)NNc1ncccc1F 288048625 IMOGXHXISOKQMY-UHFFFAOYSA-N 317.346 -0.118 50 20 DBGD O=C(CNS(=O)(=O)CBr)NCC(F)(F)F 393657056 KGZSABWBZUFBHA-UHFFFAOYSA-N 313.095 -0.063 50 20 DBGD C[C@@H](CCN1CCN(C)CC1)NCc1ccc(B(O)O)cc1 585036794 PPOIKNNWELGJED-AWEZNQCLSA-N 305.231 -0.518 50 20 DBGD CC(=O)N1CC[C@@](C)(c2nc(-c3ccc(B(O)O)cc3)no2)C1 585050906 PJOFYYWMORVZRH-OAHLLOKOSA-N 315.138 -0.074 50 20 DBGD Cn1nccc1S(=O)(=O)NNC(=O)c1ccc(C#N)cc1 727358959 HCSCLIFUVZDLEL-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cnc2n(c1=O)CCS2 728172361 DTUMKONTILEGBX-UHFFFAOYSA-N 319.346 -0.238 50 20 DBGD CNC(=O)C1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1 730042928 QNCYLIHZMZLPCH-UHFFFAOYSA-N 319.317 -0.483 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)C 732062105 QACOQSGFSUEXPX-NXEZZACHSA-N 320.415 -0.910 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 733359249 AXPMJTXLFADHBA-NSHDSACASA-N 310.398 -0.123 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCCC2)cn1 735443529 CJSRLHMJVRTCBL-UHFFFAOYSA-N 314.367 -0.462 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CN(C)C(=O)O)C[C@@H](C)O1 736813174 ZRMBBGLTCDCBBU-AOOOYVTPSA-N 316.358 -0.757 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCCNC(=O)C1CC1 747494518 WFWSUIOAAVMZDW-UHFFFAOYSA-N 305.338 -0.519 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(O)nc1 751212755 XSQQOSODTKCHTO-UHFFFAOYSA-N 304.262 -0.429 50 20 DBGD CC(C)N1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C1 754258388 HTAGFIIYOVXVAD-UWVGGRQHSA-N 304.416 -0.244 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC(=O)N[C@H]2CCCC[C@H]21 758775497 VNAMJKFVLCMXSE-WDEREUQCSA-N 310.398 -0.077 50 20 DBGD O=C(CO)NNC(=O)c1cnc(OCc2ccccc2)cn1 760873328 KVOVVUFPTXFJPX-UHFFFAOYSA-N 302.290 -0.191 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C)c1C#N 764325406 NQYQLLIIDRMMLA-UHFFFAOYSA-N 304.306 -0.011 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)c2cc(C)[nH]n2)n1 765583441 NYOWUROFXPMBAY-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 772424147 SIDXJMCMTNVCJJ-VIFPVBQESA-N 307.372 -0.679 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2ncn(C)c2=O)c(O)c1 781419372 HCAIGGSLIVYJRL-UHFFFAOYSA-N 305.294 -0.943 50 20 DBGD CSC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 787165328 UGKKDTDRSBTYFJ-MRVPVSSYSA-N 321.424 -0.210 50 20 DBGD CC(=O)NNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 794385862 IIMPJBJKSAZOEE-UHFFFAOYSA-N 307.310 -0.584 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](N2CCOCC2)C[C@@H]1C 796381453 ZAQFGLYSYNYGBS-RWMBFGLXSA-N 312.414 -0.273 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)NCC)n1N 813424883 YLKCBBOWQMVCRP-UHFFFAOYSA-N 301.376 -0.613 50 20 DBGD CCCn1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 832684767 RMOMWBGEXFUXBG-GXSJLCMTSA-N 323.353 -0.196 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1C[C@@H]1C(=O)O 833120426 ZNIGESLJWVQTGA-UWVGGRQHSA-N 302.290 -0.255 50 20 DBGD O=C(O)Nc1ccccc1C(=O)NNC(=O)[C@H]1COCCO1 833287447 HZLVCJCHYSOJRX-SNVBAGLBSA-N 309.278 -0.047 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)Cc1cn(C)nn1 852552738 DOYLDKXMTGPYDG-UHFFFAOYSA-N 302.338 -0.292 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1C1CCCC1)c1cc[nH]n1 855356588 NTUDMQISUBJDMM-LBPRGKRZSA-N 307.354 -0.186 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)OCC(F)(F)F)c1 862215645 BNVBYIMQHKLSME-UHFFFAOYSA-N 324.215 -0.011 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C2=NO[C@@H](c3ccccc3)C2)N1 862452900 PAFHVDKRNBINRV-ZYHUDNBSSA-N 316.317 -0.070 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCN1C1CCCC1 862468343 VSBGPTCDIYNKBS-LBPRGKRZSA-N 308.382 -0.227 50 20 DBGD Cc1nn(CCC(=O)NNC(=O)c2cn[nH]c2)c(C)c1[N+](=O)[O-] 862472275 WTYUKTBMBAJZOL-UHFFFAOYSA-N 321.297 -0.017 50 20 DBGD CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1cccc(B(O)O)c1 863879429 SLPFBWQPFNYROW-OAHLLOKOSA-N 323.154 -0.811 50 20 DBGD CCOCCOCCNC(=O)NNC(=O)[C@H]1CCCCO1 927535557 BZJUIOXCJXSCRM-LLVKDONJSA-N 303.359 -0.061 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(-n2ccnc2)nc1 1116187322 OGXCQXOYVJLFOS-UHFFFAOYSA-N 318.293 -0.729 50 20 DBGD Cc1cc(=NNC(=O)NCCN2CCC3(C2)OCCO3)cc[nH]1 1123614835 QQQDSRZNIYVQKL-UHFFFAOYSA-N 321.381 -0.113 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OCC#N)cc1 1318942522 QSBIURPOTIFCPD-UHFFFAOYSA-N 306.278 -0.408 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CCCn2ccnc21 1326828707 LLSWQJMMUFYUSN-UHFFFAOYSA-N 302.294 -0.059 50 20 DBGD C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[C@H]1CCOC1 1326983310 KZDVTDAEFHCFDX-NHCYSSNCSA-N 305.400 -0.208 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1F 1330504782 MCQUYKNKDDOGRB-UHFFFAOYSA-N 304.303 -0.611 50 20 DBGD COCc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)no1 1340940042 WSPUKERMVXBUBQ-ZETCQYMHSA-N 304.328 -0.791 50 20 DBGD COC(=O)Cc1occc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351715999 JPVVTEWFUXCNHO-QMMMGPOBSA-N 309.278 -0.965 50 20 DBGD O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)NNC(=O)C(=O)O 1601491302 IRUWHXCUOQJPHW-NTSWFWBYSA-N 313.232 -0.099 50 20 DBGD C[C@H](CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1)C(=O)O 1604149945 KNBMZLSUOHITRE-MRVPVSSYSA-N 309.102 -0.169 50 20 DBGD O=C(NN=Cc1nc(-c2nn[nH]n2)cs1)c1cnccn1 1606849194 FVSILNZSZCFCSN-UHFFFAOYSA-N 301.295 -0.123 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)ncc1C(=O)O 1607690688 MFENBJDZGCIAKR-MRVPVSSYSA-N 321.293 -0.480 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1nnc2n1CCCCC2 1610389306 RWBNPYQMASJNOU-SSDOTTSWSA-N 310.314 -0.520 50 20 DBGD C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843365302 JHURJJQFXPXFND-BDAKNGLRSA-N 305.737 -0.141 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C2=NN(C)C(=O)CC2)n1 53366071 JAMJCCROKYPXTG-UHFFFAOYSA-N 306.326 -0.744 50 20 DBGD CN(C)CC(=O)NNC(=O)CCn1cnc2sccc2c1=O 113426208 YWENKJKHMBNAHO-UHFFFAOYSA-N 323.378 -0.443 50 20 DBGD NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 270256923 WJIQVRAOZJKVMP-UHFFFAOYSA-N 315.351 -0.494 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 293081825 DDBQPVAMCHRFQH-WPRPVWTQSA-N 312.370 -0.647 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)c1cn(C2CCOCC2)nn1 584911798 NDDBUESLTULTGP-UHFFFAOYSA-N 316.126 -0.438 50 20 DBGD CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584974073 DTPSGLUIUVCXHG-GFCCVEGCSA-N 311.168 -0.984 50 20 DBGD C[C@@H](CN1CCOC[C@H]1C)NCc1ccc(B(O)O)cc1F 585020926 CHMWNDXJKJUYRO-NWDGAFQWSA-N 310.178 -0.296 50 20 DBGD COCCO[C@@H]1COCC[C@H]1NCc1ccccc1B(O)O 585036050 CRHORNJHCTXABB-HUUCEWRRSA-N 309.171 -0.724 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(C)(C)C 728516932 ROYFWOAQOBSSQR-SNVBAGLBSA-N 312.370 -0.693 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCC1 729972115 RSBLAOQRDLWMEN-UHFFFAOYSA-N 322.321 -0.927 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 731283225 DVGGUBQTJVMLHC-WDEREUQCSA-N 300.359 -0.784 50 20 DBGD CN(CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CC1 732891513 LCAMGGMVTRLPEE-LBPRGKRZSA-N 304.416 -0.538 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2ccncc2)cn1 735521901 IZGWBAMQRPKZLE-UHFFFAOYSA-N 302.294 -0.994 50 20 DBGD O=C(NNC(=O)c1csnn1)c1cccc(-c2nn[nH]n2)c1 738134720 RRBOAGFWQCUTKH-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD CC(=O)NNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 743805660 ULUUWMRUHVXFAB-UHFFFAOYSA-N 310.335 -0.765 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cnc(C)s1 754750762 XKEAWAUPZXMRFV-UHFFFAOYSA-N 308.385 -0.019 50 20 DBGD CN(NC(=O)CCn1c(=O)nc(O)c2ccccc21)C(N)=O 770436335 GMGOYUXUPNVINJ-UHFFFAOYSA-N 305.294 -0.466 50 20 DBGD COC[C@](C)(O)C(=O)NNc1cccc(S(C)(=O)=O)c1 776720544 BVQOMSFKRYKHMY-LBPRGKRZSA-N 302.352 -0.069 50 20 DBGD COc1cc(C#N)ccc1OCCCC(=O)NNC(=O)CO 777781035 FIHCGERNNYWAOS-UHFFFAOYSA-N 307.306 -0.134 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@](C)(O)COC)nc1C 778427752 FHRIUPVOWLUTAH-CYBMUJFWSA-N 312.326 -0.198 50 20 DBGD CC[C@@H](CO)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 780946031 AQOSJAXYHZUYAR-JTQLQIEISA-N 319.325 -0.623 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C1CC1 786739864 JWYNHWRAUYKZRQ-ONGXEEELSA-N 315.395 -0.805 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2nc3ccccn3n2)nn1 791263892 QDPADVHOBLQENI-UHFFFAOYSA-N 316.281 -0.749 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)CCc1ccco1)S(N)(=O)=O 799904161 KMLZKZHGBJHYAH-QMMMGPOBSA-N 318.355 -0.780 50 20 DBGD COc1nccnc1NNC(=O)c1nc(N)nc(N(C)C)n1 816970962 PILMVHHZGKGCMT-UHFFFAOYSA-N 305.302 -0.925 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ncncc2F)C1=O 817078311 YYVWXFLWEYXQNX-UHFFFAOYSA-N 322.256 -0.964 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H](O)Cc2ccccc2)CC1 819720476 AOIWQLUIYQRPQI-ZDUSSCGKSA-N 306.366 -0.422 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)CC(F)(F)F 822796915 ARSCIUITUUTATC-UHFFFAOYSA-N 300.237 -0.033 50 20 DBGD CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)CCl)CC1 829872801 YBRAKUOFVLURHA-UHFFFAOYSA-N 311.791 -0.819 50 20 DBGD CC(=O)c1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1 833401898 RHNBYKBNWVYUHO-UHFFFAOYSA-N 315.307 -0.534 50 20 DBGD O=C(CN[C@]1(C(=O)O)CCOC1)NNC(=O)c1cccs1 833764362 DIEHZDIEAIBWOM-GFCCVEGCSA-N 313.335 -0.658 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)C[C@H]1CCCCO1 842593757 XKJLIFOUJUEAAZ-HBNTYKKESA-N 306.384 -0.069 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c(OC)c1 847451649 LSDOJMQYWAYCFT-VHSXEESVSA-N 321.333 -0.024 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCNC1 851672912 YWKBHHYZLWNPIG-JTQLQIEISA-N 308.338 -0.234 50 20 DBGD CC(C)C(=O)NNC(=O)c1cc(C(=O)NNC(=O)C(C)C)[nH]n1 854213839 LYCXBTYTZXQPOR-UHFFFAOYSA-N 324.341 -0.756 50 20 DBGD CNC(=O)CCCC(=O)NN(C)C(=S)NCCCOC 854283837 MLJQNIJUWMRWGH-UHFFFAOYSA-N 304.416 -0.223 50 20 DBGD COc1ccccc1CONC(=O)NNC(=O)[C@H]1CCC(=O)N1 858424233 LRYPERDERUMVCV-SNVBAGLBSA-N 322.321 -0.264 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C2CN(C3CCCCC3)C2)N1 862458436 ANRNQBFBPNCXGJ-GFCCVEGCSA-N 308.382 -0.323 50 20 DBGD COCCCNC(=O)NNC(=O)/C=C1\SCC(=O)N1C 874194666 HALNKBRXWPMTEG-POHAHGRESA-N 302.356 -0.600 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)C1=O 900634862 OJEWOJVXSMYFKL-GFCCVEGCSA-N 319.361 -0.031 50 20 DBGD CCCN1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CC1=O 913733572 NKGKPZGPPAXTOB-JTQLQIEISA-N 310.354 -0.985 50 20 DBGD Nc1cnnc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1Cl 1116298685 WEXNMWHEEIXVGG-RXMQYKEDSA-N 305.747 -0.410 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1c[nH]c(Br)c1 1118954016 MPOQPYVATGJRPE-UHFFFAOYSA-N 324.156 -0.417 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=S)NC1CCOCC1 1252548752 SYJNIGBQYITPJH-SECBINFHSA-N 305.400 -0.288 50 20 DBGD Cn1ccnc(NNC(=O)C2(C(=O)NC3CC3)CCC2)c1=O 1318921109 ZXQGJKBRVYOTJK-UHFFFAOYSA-N 305.338 -0.328 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCc2n[nH]cc2C1 1319793872 RHNPCGXDLHTTQQ-JTQLQIEISA-N 320.353 -0.780 50 20 DBGD COCCCNC(=O)NNC(=O)c1cnc2c(c1)nnn2C 1320100115 ITDBIMGDNWVMDY-UHFFFAOYSA-N 307.314 -0.656 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCCCN1CCOCC1 1321269274 ZEQPYYZSQFXXBU-UHFFFAOYSA-N 314.386 -0.839 50 20 DBGD Cc1nc(C)c(CCC(=O)NNC(=O)c2cn[nH]c2)c(O)n1 1330529461 OYZQVPFRPVCFAZ-UHFFFAOYSA-N 304.310 -0.084 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)Cc1ccccc1F 1338741075 BBOIUNFMSSMMJB-UHFFFAOYSA-N 311.313 -0.332 50 20 DBGD O=C(NCCN/C(O)=C1\N=CC=CC1=O)NNC(=O)C1CCC1 1338909528 MTKDGVPJZYQERF-ACCUITESSA-N 321.337 -0.357 50 20 DBGD C[C@H](C(=O)NN(C)C(=O)OC(C)(C)C)N1CCNCC1=O 1575069227 LDJDOQYYRLVYTR-SECBINFHSA-N 300.359 -0.295 50 20 DBGD O=C(/C=C/Cn1cncn1)NNc1ccc(-c2nn[nH]n2)cn1 1581954590 KSAMJBODVADWFZ-OWOJBTEDSA-N 312.297 -0.447 50 20 DBGD O=C(Cn1cccc(C(=O)O)c1=O)NNC(=O)NCC1CC1 1601388143 RMYOVOHHTLHISI-UHFFFAOYSA-N 308.294 -0.713 50 20 DBGD CCCc1cnc(NC(=O)C(=O)NNC(=O)C(=O)O)s1 1605378197 RBQXLVJLULZRBG-UHFFFAOYSA-N 300.296 -0.734 50 20 DBGD CN(C)CCc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1606031402 LLAFZUGEFGNSKC-UHFFFAOYSA-N 308.338 -0.294 50 20 DBGD O=C(NCCN1CCc2sccc2C1)NNC(=O)C(=O)O 1610693152 OFOOQCUAMSARBA-UHFFFAOYSA-N 312.351 -0.479 50 20 DBGD CNCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350682 RGHGWWQRAAVDKR-NSHDSACASA-N 317.817 -0.211 50 20 DBGD CCc1ccnc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 271715209 WNKUYZAHMNOJEW-SNVBAGLBSA-N 311.363 -0.160 50 20 DBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)C(=O)NC1CC1 275161391 RMLWXVKVVJLRLN-QMMMGPOBSA-N 312.370 -0.647 50 20 DBGD CCc1cncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 280631734 LYSPBDVLHNDOFG-QMMMGPOBSA-N 314.367 -0.657 50 20 DBGD O=C(NCCc1cn2c(n1)CCCC2)c1cccc(B(O)O)c1 584928746 WBJCKTKUSYMFGG-UHFFFAOYSA-N 313.166 -0.128 50 20 DBGD O=C(NCCN(CC1CC1)C1CC1)c1ccc(B(O)O)cc1 584940004 QGDOSIAZWQRPBI-UHFFFAOYSA-N 302.183 -0.029 50 20 DBGD COCCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCSC1 584944261 ZWRBJVGPDNHQQK-CYBMUJFWSA-N 309.196 -0.040 50 20 DBGD C[C@@H]1CC[S@@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584983051 OUXHEIAXOOZPKY-AOUSDQRYSA-N 313.159 -0.511 50 20 DBGD COC[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCO1 584984251 WHDXZIIBRDILJC-QWHCGFSZSA-N 311.118 -0.571 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(F)(F)[C@@H](CO)C1 584990284 AZMBZCZANWPZOG-MRVPVSSYSA-N 317.072 -0.405 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN(C2CC2)C1 584994984 QAEOBASDAGUCJL-LBPRGKRZSA-N 302.183 -0.077 50 20 DBGD CC1CCN(C[C@@H](O)CNCc2ccc(B(O)O)cc2)CC1 585022315 WRUNIBNFDZZTKB-INIZCTEOSA-N 306.215 -0.451 50 20 DBGD N#Cc1cc(S(=O)(=O)NCB(O)O)ccc1C(F)(F)F 585059277 HHQUDIWGDOORIV-UHFFFAOYSA-N 308.046 -0.133 50 20 DBGD CCN=c1nc(NC(C)(C)C)[nH]c(N2CC[C@H](B(O)O)C2)n1 585079253 VZAWVZVOLIUWLE-VIFPVBQESA-N 308.195 -0.011 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1ccc(Cl)cc1O 727078744 GCIHXRFQVJGYQT-UHFFFAOYSA-N 302.743 -0.360 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C#N)s1 758046028 RMXQHVUKJLQPGT-ZCFIWIBFSA-N 316.364 -0.682 50 20 DBGD Cc1ccc([C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 758049169 YOFJDFFZQQIMGO-RKDXNWHRSA-N 317.367 -0.223 50 20 DBGD CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccn(C)n1 758106459 GRLGDFFHPVAZKY-QMMMGPOBSA-N 301.372 -0.412 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(F)n1 763438609 OYRBKPAOYZUKFI-ZETCQYMHSA-N 301.299 -0.584 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(O)CCSCC1 765073888 HBDBZAGGVPVOIZ-UHFFFAOYSA-N 317.411 -0.303 50 20 DBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802022620 DMPHABXDSUEFFL-SNVBAGLBSA-N 305.338 -0.085 50 20 DBGD Cc1ccc(O)cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 816825272 XWNULHDLKFYKMJ-VIFPVBQESA-N 312.347 -0.104 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842592873 PVUFLXORYNCZAI-UWVGGRQHSA-N 310.372 -0.975 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 843655008 LNWSIXXJDVPBGH-SCZZXKLOSA-N 318.395 -0.085 50 20 DBGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccnnc1)CS2 843908658 OEDUEDPQDDEKSP-TVQRCGJNSA-N 321.362 -0.308 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 844667560 QOXUICPJIZPVLB-VPOLOUISSA-N 303.384 -0.239 50 20 DBGD CCC1CCN(S(=O)(=O)NNC(=O)N2CCOCC2)CC1 849307310 OLZSYJZVAYVIMP-UHFFFAOYSA-N 320.415 -0.100 50 20 DBGD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NNC(=O)c1cccc(F)n1 852308392 DAFUBACMLWHJTR-XCBNKYQSSA-N 309.301 -0.311 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 854929372 FLQAOPPRWNLKSE-UHFFFAOYSA-N 313.383 -0.682 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2ncccn2)n1 854951744 ANQUVXOPLKZBJZ-UHFFFAOYSA-N 304.314 -0.778 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)N1 858483130 ZKDQEHJHMBHXPI-KIGUWFBYSA-N 324.381 -0.463 50 20 DBGD C[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCS1 858699741 XMOCLQPJOHOCIY-RKDXNWHRSA-N 300.384 -0.167 50 20 DBGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1CCNC1 861708857 BWQAOGOZEMWEMV-SSDOTTSWSA-N 309.282 -0.394 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCCCC(=O)C1 863466222 OUFKOZLWPWDZPV-VIFPVBQESA-N 304.368 -0.282 50 20 DBGD Cc1nn(C)c2c1N(C(=O)c1cc(B(O)O)ccc1F)CCO2 866516602 DZZYPEVTGBLXOG-UHFFFAOYSA-N 319.101 -0.413 50 20 DBGD C#CCCCC(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 887146590 DMWBZKMXFPDNEJ-UHFFFAOYSA-N 305.338 -0.121 50 20 DBGD CN1CCNC[C@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 912078777 YQOFZXAOCJMDIV-LBPRGKRZSA-N 316.365 -0.720 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NNC(=S)NCCN(C)C 916117665 GZDPSYKIJKOGCR-LLVKDONJSA-N 317.459 -0.988 50 20 DBGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)CC2 1116903837 YZNNSCOXUSPBFI-SECBINFHSA-N 302.338 -0.362 50 20 DBGD O=C1CC[C@@H](C(=O)NN=Cc2cnc(N3CCCC3)nc2)N1 1118889175 DOQMZVWUHHUQCP-NSHDSACASA-N 302.338 -0.195 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)c1cnccn1 1253041706 SVTQPAQAEPAYGU-UHFFFAOYSA-N 301.310 -0.140 50 20 DBGD Cc1nn(CC(=O)NNC(=O)C(C)(C)C)c(=O)c(C#N)c1C 1318722823 ACZBNUZHBBSTDB-UHFFFAOYSA-N 305.338 -0.075 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1320231807 CUSODYSMOHGTMJ-SECBINFHSA-N 308.338 -0.174 50 20 DBGD CN1Cc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc2C1 1323944234 VVGDGLBNZPHBEX-UHFFFAOYSA-N 306.322 -0.900 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC 1324362014 LHTHASRWXCPBJI-UHFFFAOYSA-N 313.241 -0.907 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)n1 1329943862 ZODSTUYICRSRBB-UHFFFAOYSA-N 313.277 -0.461 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCN3CCC[C@H]3C2)N1 1351352974 NTMKCDQOGALSHL-OUAUKWLOSA-N 309.370 -0.778 50 20 DBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)COCCOC)C1 1352010934 RYWZWMGXIZDYAB-JTQLQIEISA-N 301.343 -0.945 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1452261662 QTWFVQBTWJRXDB-IONNQARKSA-N 317.309 -0.552 50 20 DBGD C[C@@]1(NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCS(=O)(=O)C1 1589250001 SDIILGGSMFPSSP-VDDIYKPWSA-N 319.383 -0.379 50 20 DBGD Nc1nnc(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)s1 1592763587 BSNKLKVDDNQUEF-UHFFFAOYSA-N 317.338 -0.014 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC[C@H]2SCCS[C@H]12 1601553104 UNOJRBXCVPAVHC-FSDSQADBSA-N 305.381 -0.219 50 20 DBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1602852884 SLXFVCRHYSQSOI-YUMQZZPRSA-N 320.367 -0.685 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)N2CCOCC2)cn1 263850203 NCPZCDVKNZMOGI-UHFFFAOYSA-N 303.344 -0.862 50 20 DBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 266801829 GVTOVVHQQCGXAH-RKDXNWHRSA-N 311.338 -0.608 50 20 DBGD CN(NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)C(N)=O 272217574 SSPWCZGXOQDXQN-UHFFFAOYSA-N 319.321 -0.206 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cc(C(=O)OC)co1 275497068 QJDBBCGXWNPUDF-UHFFFAOYSA-N 305.312 -0.079 50 20 DBGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1COCCO1 276516405 LMJSVJAUZAXUHD-SNVBAGLBSA-N 310.266 -0.647 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)CNc2ccccc2)O1 287108953 NKGIYPOCCNENBF-WDEREUQCSA-N 306.322 -0.721 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(=O)n1 294000604 VBBMDNMQNBAKSP-QWRGUYRKSA-N 308.338 -0.425 50 20 DBGD CC(C)[C@@H](CO)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 298794494 DPBNPQFWEIUTCC-GFCCVEGCSA-N 324.337 -0.038 50 20 DBGD CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584938140 XOSCISSFMRDHPW-LBPRGKRZSA-N 304.155 -0.645 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(Cc2ncc[nH]2)CC1 584946650 WTQJWXQLBSENFT-UHFFFAOYSA-N 314.154 -0.953 50 20 DBGD CC(C)COC[C@@H](O)CNC(=O)c1cc(B(O)O)ccc1F 584963053 VDEAGYAXZPXEQV-NSHDSACASA-N 313.134 -0.731 50 20 DBGD C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(B(O)O)cc2F)CC1=O 585024971 INYBRPMRRPOKSL-IUPBHXKESA-N 306.146 -0.396 50 20 DBGD COc1ccsc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 729945365 HNMITQWCOBWJGH-ZETCQYMHSA-N 318.376 -0.048 50 20 DBGD O=C(CNC(=O)NC1CCCCC1)NNC(=O)Cc1cc[nH]n1 755277137 PFXRZIALIYGCIJ-UHFFFAOYSA-N 322.369 -0.269 50 20 DBGD O=C(CO)NNC(=O)Nc1ccn(CCc2ccncc2)n1 756729677 FEVQNZSVRHFKHZ-UHFFFAOYSA-N 304.310 -0.334 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 764327424 ZQYSBZNFFRGKRY-UHFFFAOYSA-N 323.353 -0.104 50 20 DBGD CC[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)N(C)C 820842136 KFSQZZFQQBBVRU-NSHDSACASA-N 317.353 -0.032 50 20 DBGD O=C1C[C@](C(=O)NNC(=O)NC2CC2)(c2ccccc2)CN1 823768152 PFHIJVBIXBMTJV-OAHLLOKOSA-N 302.334 -0.063 50 20 DBGD COC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(C)C 843654141 ZJTKOQBXBQEGLC-UTLUCORTSA-N 301.343 -0.061 50 20 DBGD COC[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccc(C)c1 844404567 QMORRYSRMIYHHT-ZIAGYGMSSA-N 321.377 -0.162 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc2n(n1)CCO2 854284837 ADHXXIRPSVFXFA-UHFFFAOYSA-N 313.383 -0.237 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862454423 ULUALYKXJPHSOR-SNVBAGLBSA-N 306.322 -0.467 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCC12OCCO2 869905523 NQJTWIFLUHXWKA-JTQLQIEISA-N 302.327 -0.660 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1ccc(F)cc1F 872382163 KHOHHHIEFVBRNP-UHFFFAOYSA-N 324.305 -0.063 50 20 DBGD Cc1cc(C(=O)NNC(=O)C[C@H]2CCCS(=O)(=O)C2)n[nH]1 1117749905 QGTYZEASLKSONX-SECBINFHSA-N 314.367 -0.306 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCN1Cc2ccccc2C1 1318941485 ILMDIPTZYIGUAR-UHFFFAOYSA-N 306.322 -0.494 50 20 DBGD CN(C)N(C(=O)C[C@@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1328705875 XPCJQEZZILXPBW-UWVGGRQHSA-N 303.384 -0.853 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C)n1 1339256399 CCIROOBMMUBKMB-JTQLQIEISA-N 324.337 -0.473 50 20 DBGD O=C(NNC(=O)c1ccc2nonc2c1)NC1CCNCC1 1580737713 WNJNCSHEBJMJJL-UHFFFAOYSA-N 304.310 -0.081 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(CC(=O)O)cc1 1593352511 CAOXYJBNYWFJGE-QMMMGPOBSA-N 315.351 -0.306 50 20 DBGD COC[C@](C)(CC(=O)O)NC(=O)c1cc(B(O)O)ccc1F 1599148100 HCFDYPIVUDFTQA-ZDUSSCGKSA-N 313.090 -0.885 50 20 DBGD O=C(CN[C@H]1CCO[C@H]1C(=O)O)NNC(=O)c1ccccc1 1601328373 HWJITLZSSFZUOA-CMPLNLGQSA-N 307.306 -0.721 50 20 DBGD NCC(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947498 UYAVRTMCYFQLER-LLVKDONJSA-N 310.181 -0.421 50 20 DBGD C[C@@H](CN)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350594 LNHLORUUQUUQBL-UWVGGRQHSA-N 303.790 -0.616 50 20 DBGD NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1 21759695 QPPWFEWNBGDPLE-UHFFFAOYSA-N 320.330 -0.196 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 178085683 ZVQWYCIBSQSWMC-VIFPVBQESA-N 316.321 -0.438 50 20 DBGD CNC(=O)NNC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 265057194 OENWQLAFWAUKFQ-UHFFFAOYSA-N 306.326 -0.619 50 20 DBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 265413074 UBLYXOSKJMLUCO-NSHDSACASA-N 322.369 -0.098 50 20 DBGD CCCC(=O)N1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584932879 AETIZDHMZUKHIK-UHFFFAOYSA-N 318.182 -0.159 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](n2cccn2)C1 584991672 FUAOZKVEGVLUBM-NSHDSACASA-N 303.102 -0.211 50 20 DBGD CN(Cc1noc(C2CC2)n1)C(=O)c1ccc(B(O)O)cc1 584999048 CNKASYYEWSJZGE-UHFFFAOYSA-N 301.111 -0.101 50 20 DBGD OB(O)c1ccc(CN[C@@H]2CCO[C@H]2c2ccc(O)nc2)o1 585048920 HBVOONPNPIOTIB-RISCZKNCSA-N 304.111 -0.320 50 20 DBGD COCCOc1ccc(F)cc1S(=O)(=O)NCB(O)O 585059159 BBEVIDJRJODHSJ-UHFFFAOYSA-N 307.108 -0.859 50 20 DBGD NC(=O)COc1ccc(/C=C/C(=O)N2CC[C@@H](B(O)O)C2)cc1 585069601 QPVUTVWCUFVABS-MJRJWQSSSA-N 318.138 -0.361 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)N(C)C 734124708 QBOUNIDSHMGZFW-SNVBAGLBSA-N 320.415 -0.117 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 746166690 DDGGGYVYUIXQOG-LLVKDONJSA-N 318.333 -0.144 50 20 DBGD CC(C)(C)C(=O)Cn1cc(C(=O)NNC(=O)c2cnn[nH]2)nn1 746224513 OIYCDNPZTZKYHC-UHFFFAOYSA-N 320.313 -0.914 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccnc(N2CCCC2)n1 755268886 NVJKBPFJMJSPKO-UHFFFAOYSA-N 315.337 -0.196 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccc(-n2cnnn2)cc1 755435136 LRDKJPGTNPKJBE-UHFFFAOYSA-N 305.298 -0.149 50 20 DBGD COCC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 779231948 YBDADZQVBWCCDO-UHFFFAOYSA-N 306.322 -0.615 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H](CC(C)C)NC(C)=O 783575477 QBDRIFOSNVXXRE-NSHDSACASA-N 302.375 -0.096 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CC(=O)N2C 788707829 PGTFWBDARVFUON-UHFFFAOYSA-N 305.338 -0.080 50 20 DBGD C[C@@H]1OCC[C@]12CN(CC(=O)NNC(=O)C1CC1)C[C@@H](C)O2 790396932 SZPLQZVDWLAAAN-ZETOZRRWSA-N 311.382 -0.188 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CC2OCCO2)cc1 792800450 GBKWCMJUVFIVQR-UHFFFAOYSA-N 305.290 -0.153 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNC(=O)NC1CC1 823768136 OQUKOQORSLCTKC-SNVBAGLBSA-N 318.399 -0.414 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)[C@@H]1CCCCO1 827269260 WZOQSFSHBOLVTB-AEJSXWLSSA-N 314.342 -0.658 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1(n2cnnn2)CCCCC1 845102945 FHMBOTSOEHQGQZ-UHFFFAOYSA-N 323.357 -0.996 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@H]1CCc2nnnn2CC1 845296031 GGHAHUKUUZHZCU-VIFPVBQESA-N 319.325 -0.251 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NN(C)C(=S)NCCCOC 854283252 NVRRUKDOYNICGF-LLVKDONJSA-N 318.443 -0.419 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=S)N[C@H](C)C1CC1 855099140 SHLRCVFCCMSUJG-SSDOTTSWSA-N 308.429 -0.781 50 20 DBGD C[C@]1(CNC(=O)NCCS(N)(=O)=O)C[C@@H]1Br 856848579 HSZCBRFPCNXNPR-POYBYMJQSA-N 314.205 -0.252 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(NC3CC3)nc2)N1 862453394 UPRBJZNGAGOEAH-JTQLQIEISA-N 303.322 -0.305 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)N1 863414549 ZZQKSYICCXLXLY-SECBINFHSA-N 317.754 -0.072 50 20 DBGD COCCOCC(=O)NNC(=O)CN1CCCCCCC1=O 869910881 NQMZKWYTMGFYSU-UHFFFAOYSA-N 315.370 -0.411 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc2c1CCCC2 1255507799 HHGZENIXSMNXOC-UHFFFAOYSA-N 319.317 -0.176 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(CO)cc1 1317732088 CNDDIVIBLXASHN-LLVKDONJSA-N 312.347 -0.625 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C(=O)NCc1ccc(F)cc1 1318762971 YOOIUZUQEPGWPM-UHFFFAOYSA-N 324.312 -0.886 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCO[C@@H]1C(C)C 1323669759 ZROWTFFFJXNFKU-NXEZZACHSA-N 301.343 -0.059 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)c3cncc(O)c3)nc21 1327378968 LCTZHOBIJNDSJB-UHFFFAOYSA-N 301.266 -0.074 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCSCC1 1332076803 BHOJVAVXQXAAOC-QWRGUYRKSA-N 316.427 -0.209 50 20 DBGD CO[C@]1(C(=O)NNc2cccc(F)n2)CCS(=O)(=O)C1 1332844402 ZQUWGAGYMDNGMQ-LLVKDONJSA-N 303.315 -0.133 50 20 DBGD CCNC(=O)CCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1334108872 JOOFGBWGJTYUHZ-UHFFFAOYSA-N 321.341 -0.182 50 20 DBGD COc1ccc(NC(=O)C(=O)NNc2nccnc2OC)cn1 1338036373 BWSAKRUAHBKEQB-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)cn1 1342585797 BUUNGPXBVJSDDQ-UHFFFAOYSA-N 319.296 -0.112 50 20 DBGD Cn1c(Cl)cnc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1344574483 LXQGVZMDMYROAE-ZETCQYMHSA-N 304.759 -0.042 50 20 DBGD NC(=O)c1cc(C(=O)NNC(=O)CCCc2cnn[nH]2)c[nH]1 1577735053 HCCSSUBDUZRWDG-UHFFFAOYSA-N 305.298 -0.984 50 20 DBGD Cc1oc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C(=O)O 1600851245 IUQKCFQKMKUHGV-VIFPVBQESA-N 324.293 -0.605 50 20 DBGD O=C(CCc1ocnc1C(=O)O)NNC(=O)c1cccnn1 1601296636 IVOGQWVFGVOSDN-UHFFFAOYSA-N 305.250 -0.443 50 20 DBGD O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)c1cnn[nH]1 1608478995 FIRYHCWIKPYWEM-MFDQJXRNSA-N 305.294 -0.521 50 20 DBGD N=C(N)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2 1795982840 SDQFFJKSGCNWDE-IBCQBUCCSA-N 319.768 -0.358 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 263726945 SUBMBQYWGHTBTC-LBPRGKRZSA-N 315.377 -0.045 50 20 DBGD COc1cc(C)nc(NNC(=O)CCC(=O)N2CCOCC2)n1 266888199 DRNCWWKRQPHZHV-UHFFFAOYSA-N 323.353 -0.124 50 20 DBGD CC[C@@H](NC(=O)NNc1ncccn1)C(=O)N1CCOCC1 267823110 YALYVBLBSZNECN-SNVBAGLBSA-N 308.342 -0.260 50 20 DBGD COC(=O)N(C)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 286520033 XLLTUAMJHSZHCG-UHFFFAOYSA-N 300.315 -0.174 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CN2CCCC2)C1 584951324 PEVZOBRPRFHRIK-ZDUSSCGKSA-N 302.183 -0.076 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)o1 585042202 LFCLNAMQMWJWCR-BXUZGUMPSA-N 309.171 -0.383 50 20 DBGD C[C@@H](NS(C)(=O)=O)c1nc(-c2ccc(B(O)O)cc2)no1 585050691 HSZYCAAEUSWULY-SSDOTTSWSA-N 311.128 -0.973 50 20 DBGD C[C@@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CCC(=O)NC1 585054865 NZIJUGKGFDSREA-CQSZACIVSA-N 301.111 -0.416 50 20 DBGD O=S(=O)(CCOCC(F)(F)F)N1CC[C@H](B(O)O)C1 585058225 BUHHALOFKWFCSC-ZETCQYMHSA-N 305.083 -0.556 50 20 DBGD O=C(NCB(O)O)c1cccc(CN2C(=O)CSC2=O)c1 585060868 LIRATYJJILCGPO-UHFFFAOYSA-N 308.124 -0.376 50 20 DBGD NC(=O)c1ccc(OCCC(=O)N2CC[C@@H](B(O)O)C2)cc1 585065945 KJMGFWGWJVQQQA-LLVKDONJSA-N 306.127 -0.370 50 20 DBGD Cc1c(C(=O)NNC(=O)Cc2cn3ccccc3n2)nnn1C 746554056 VPWQPOHNXMQWKR-UHFFFAOYSA-N 313.321 -0.225 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)[C@]2(CO)CCOC2)cc1 763892963 OZEZIFALBFGBJH-INIZCTEOSA-N 321.377 -0.161 50 20 DBGD CNC(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 765070130 ICSMRFQDGJCGEO-MRVPVSSYSA-N 302.331 -0.418 50 20 DBGD O=C(CN1CCn2ncnc2C1)NNC(=O)c1ccc(F)cc1 770686393 QUPKTRGKALPBED-UHFFFAOYSA-N 318.312 -0.306 50 20 DBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 777136751 AMDBKBKAEZJISH-BDAKNGLRSA-N 322.431 -0.762 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2nnnn2c1 786050028 WGSYECMDKMMSJH-SSDOTTSWSA-N 306.282 -0.773 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2cnnn2C)cc1OC 798347702 DECRBORQSFHIIO-UHFFFAOYSA-N 305.294 -0.093 50 20 DBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)N1CCN(C)CC1 809794090 AGHWCECJIRPEJC-SNVBAGLBSA-N 300.359 -0.436 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C 822546736 AKXBOOGVAOQQAQ-QMMMGPOBSA-N 320.415 -0.007 50 20 DBGD COCCCNC(=O)NNC(=O)/C=C\c1ccc(C(N)=O)o1 823810102 HLJYXPJKDGRJJB-XQRVVYSFSA-N 310.310 -0.241 50 20 DBGD CC(=O)NCCN(C)CC(=O)NNC(=O)c1ccc(C)cc1 830136241 UKZDOMLRGSVNGK-UHFFFAOYSA-N 306.366 -0.176 50 20 DBGD CN[C@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 843344795 XNTUDTZJMJIVMU-NSHDSACASA-N 321.337 -0.351 50 20 DBGD COCCC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858298301 PBMVKOBVSHWKEY-SNVBAGLBSA-N 312.370 -0.198 50 20 DBGD CCC(C)(C)OCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858530539 HWAJSAWSIIBLJK-SECBINFHSA-N 300.359 -0.199 50 20 DBGD C[C@H](NNC(=O)CCN1CCCS1(=O)=O)C(F)(F)F 862310562 ZLFGRMURFIWWDQ-ZETCQYMHSA-N 303.306 -0.016 50 20 DBGD O=C(Cc1ccc2c(c1)OCO2)NNC(=O)[C@@H]1CCC(=O)N1 862451701 FZXZERZKXWSGLI-VIFPVBQESA-N 305.290 -0.616 50 20 DBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862464099 SEGHMCUVMLGSLB-GHMZBOCLSA-N 312.370 -0.647 50 20 DBGD O=C(NNC(=O)c1ccc(-n2ccnn2)cc1)C(=O)NC1CC1 1253730333 CFUNFFNKFJETJC-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)c2ccccc2Cl)CC1 1261503480 BIEQNOVHMFYYJE-UHFFFAOYSA-N 317.754 -0.078 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 1317993481 IRFKQXKOBUVYRO-VIFPVBQESA-N 312.351 -0.479 50 20 DBGD NC(=O)COC1CCN(S(=O)(=O)CBr)CC1 1325170685 BSHBHTJJWLWPIW-UHFFFAOYSA-N 315.189 -0.365 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)CS(C)(=O)=O 1331834670 RYWNRXZCWZQYSD-MRVPVSSYSA-N 314.367 -0.968 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(C(C)=O)c1 1338693739 NOUJVDKXAOUYAY-UHFFFAOYSA-N 307.262 -0.852 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccnn1C1CNC1 1576903201 HHNVAWUXMFOSKO-WPRPVWTQSA-N 308.342 -0.395 50 20 DBGD COC(=O)c1cccc([C@H](NNC(=O)C(=O)O)C(=O)OC)c1 1598994455 FTAMFCFENCAEGE-VIFPVBQESA-N 310.262 -0.607 50 20 DBGD Cn1c(CC(=O)NNC(=O)COCC(=O)O)nc2ccccc21 1605468132 ZKDRMPBDTPNYCD-UHFFFAOYSA-N 320.305 -0.636 50 20 DBGD O=C(NCc1ccccc1N1CCOCC1)NNC(=O)C(=O)O 1610697797 BMXLBWWBCQYPSE-UHFFFAOYSA-N 322.321 -0.562 50 20 DBGD CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1800071556 OOMCTLMAABFJOL-ROHXPCBUSA-N 316.833 -0.072 50 20 DBGD CNCCCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842915832 WLMSWNUPNCSZAF-LLVKDONJSA-N 317.817 -0.211 50 20 DBGD O=C(C1CC(O)C1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847510266 QYGMOCHXKVBPST-ULOBAINLSA-N 316.785 -0.441 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1O)S(C)(=O)=O 49446869 GAMPUAWLYZXLHB-UHFFFAOYSA-N 301.324 -0.955 50 20 DBGD CN(C)CC(=O)NNC(=O)CCn1c(=O)n(C)c2ccccc21 113426240 UTICNOZXUKKGEW-UHFFFAOYSA-N 319.365 -0.561 50 20 DBGD COc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)nn1 265648281 SSHKOBNXFWOIGE-UHFFFAOYSA-N 304.310 -0.240 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)C(C)(C)c1ccccc1 267651381 RPXVXIJTHRFIGY-UHFFFAOYSA-N 313.379 -0.339 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 276247400 CMGXHZWYYNDIKC-UHFFFAOYSA-N 306.278 -0.166 50 20 DBGD COC(=O)NCCCC(=O)NNC(=O)Cn1nc(C)cc1C 491272154 BJUNJTQEWHWKOS-UHFFFAOYSA-N 311.342 -0.216 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)Nc1cccc(B(O)O)c1 584910260 ADOGPHKJJVDUIK-UHFFFAOYSA-N 303.127 -0.266 50 20 DBGD O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1cccc(B(O)O)c1 584911002 FJKNMCMWSVLPSZ-JTQLQIEISA-N 311.168 -0.480 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)Nc1cccc(B(O)O)c1)CC2 584911870 NZNCRPHPHVHDGC-SECBINFHSA-N 300.127 -0.762 50 20 DBGD CCCCn1nnnc1CNC(=O)c1ccc(B(O)O)c(F)c1 584950279 XBVPPMMNBYLBSD-UHFFFAOYSA-N 321.121 -0.778 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)o1 585016880 CMNMXMAMZRLJHR-VIFPVBQESA-N 306.093 -0.067 50 20 DBGD COc1ccc(C(=O)NCCNCc2ccc(B(O)O)o2)cc1 585017311 UCAMTCWPFZJXAT-UHFFFAOYSA-N 318.138 -0.512 50 20 DBGD Cc1cc(NC(=O)CN(C)CC(=O)NNC(=O)C2CC2)no1 733193532 URPXADLKQGPAGK-UHFFFAOYSA-N 309.326 -0.589 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cn1 762737446 LLXFFCQDPLIXFM-UHFFFAOYSA-N 321.318 -0.801 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(O)CCSCC1 772230029 FXPLYVGHZWBJSY-QMMMGPOBSA-N 304.368 -0.266 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1ccc(OC)cn1 780989668 YSCZDDLEMCVOIJ-UHFFFAOYSA-N 317.371 -0.344 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cs1 785404399 VCECWVPAJMNRNS-DTWKUNHWSA-N 313.335 -0.226 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCSC1)N[C@H]1CCS(=O)(=O)C1 810581321 NIFMLEJCFDFGGT-BDAKNGLRSA-N 321.424 -0.353 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2cccc(Cl)n2)c1=O 817011357 QKQLBKFPEDFJDP-UHFFFAOYSA-N 309.713 -0.261 50 20 DBGD O=C(CCc1ccco1)NNC(=O)N1CCO[C@@H](C(=O)O)C1 819145655 PXDJHNHZGOTVCO-SNVBAGLBSA-N 311.294 -0.262 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 833441937 KSHOTMBMVAENFF-SFYZADRCSA-N 315.326 -0.231 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCNC1 843351705 XWIMWXLPGVTDAP-LBPRGKRZSA-N 321.337 -0.351 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)COc1ccccc1OC 854191095 UNLKVGSCOGRGKH-GFCCVEGCSA-N 312.322 -0.117 50 20 DBGD COCCCNC(=S)N(C)NC(=O)Cn1ccccc1=O 854280524 WXSDXZXEBNGKQP-UHFFFAOYSA-N 312.395 -0.278 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccn2nnnc2c1 854388418 JVVNAQQMNHDFSL-UHFFFAOYSA-N 322.325 -0.326 50 20 DBGD CNC(=S)N(C)NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 854919787 FSQFHJUYKIUEGT-CYBMUJFWSA-N 312.395 -0.625 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CN(C)S(C)(=O)=O)C1CC1 855101698 DDMGXCLQYKWVSP-SSDOTTSWSA-N 308.429 -0.828 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H](O)Cc2ccccc2)N1 858695804 HLBKLRBQIVPORK-VXGBXAGGSA-N 320.349 -0.801 50 20 DBGD CSCC[C@H](NS(=O)(=O)CBr)C(N)=O 859296594 LVIAKUHKMBBTDR-YFKPBYRVSA-N 305.219 -0.135 50 20 DBGD O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)[C@@H]1CCC(=O)N1 862457049 ZROPHZXCAYMIKC-JTQLQIEISA-N 315.285 -0.807 50 20 DBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 898079836 QKJLOICWZRUNAX-LMLFDSFASA-N 301.343 -0.454 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccc(C#CCO)c1 900426550 DXVRBJUTGFPFGZ-UHFFFAOYSA-N 303.318 -0.283 50 20 DBGD COC(=O)c1ccccc1NNC(=O)[C@H]1OCCN(C)C1=O 901327322 MMWGIXGFCKOLGV-LLVKDONJSA-N 307.306 -0.227 50 20 DBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)c3cn[nH]c3)C2)cn1 1118860885 RMZFQIYCYUQKEC-JTQLQIEISA-N 318.341 -0.634 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 1254905025 JMDBTBRFCXWKSW-UHFFFAOYSA-N 320.305 -0.696 50 20 DBGD NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1 1317726427 MPGVFOKZLFNEJE-UHFFFAOYSA-N 308.319 -0.263 50 20 DBGD CC(C)[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1319883221 HKZKPNNOOQQAQJ-GHMZBOCLSA-N 312.370 -0.201 50 20 DBGD COC[C@@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)OC 1319963086 UBEFLKQKZGWYOE-MWLCHTKSSA-N 309.388 -0.971 50 20 DBGD CCc1nnsc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321415037 XOLNWDCWSVANER-ZCFIWIBFSA-N 318.380 -0.704 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)CO[C@@H]1CCOC1 1323511779 PFQIZGYFTOFRJK-SNVBAGLBSA-N 310.306 -0.276 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 1324433231 LIMIJLNDOYDLTR-PRHODGIISA-N 304.368 -0.880 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 1328570423 RFEPKAGJHANYTK-UHFFFAOYSA-N 307.314 -0.877 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccn(COC)n1 1328967683 OYWMHOSCBDARAH-UHFFFAOYSA-N 311.342 -0.447 50 20 DBGD CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)[C@@H]1CCN1 1574998988 VRWMZWISYBUQFE-VUBLIPMDSA-N 308.363 -0.266 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCNC3)N1 1580843496 HEGGXQSPXCAIKE-NSHDSACASA-N 318.333 -0.792 50 20 DBGD O=C(N[C@@H](C[C@H]1CCCO1)C(=O)O)c1cccc(B(O)O)c1 1601408152 BQTGXZAUDHLZDY-NEPJUHHUSA-N 307.111 -0.882 50 20 DBGD O=C(O)[C@@H]1CSCCN(C(=O)c2cccc(B(O)O)c2)C1 1601857031 XLHYQPQALMMSJU-JTQLQIEISA-N 309.152 -0.744 50 20 DBGD O=C(O)Cn1ccc(NC(=O)C(=O)NNc2ccnc(F)c2)n1 1606341366 SMRBTMOXFRZLRK-UHFFFAOYSA-N 322.256 -0.416 50 20 DBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1609885893 AHPRSZMGEPAZFQ-SSDOTTSWSA-N 303.315 -0.231 50 20 DBGD Cc1ccoc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 126049540 BGVJLHPZYAASHZ-MRVPVSSYSA-N 301.324 -0.281 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cc1 264153528 QWNMBBDIFLJXDK-SSDOTTSWSA-N 318.330 -0.084 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(OC)c1 264340769 YKFTWLYROKNHBN-JTQLQIEISA-N 307.306 -0.257 50 20 DBGD CC[C@H]1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)O1 268706075 UEHUQBHMMFYNQH-NWDGAFQWSA-N 320.349 -0.084 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(F)cc1O 273555306 ZKFNLWIJRMXYKB-ZCFIWIBFSA-N 319.314 -0.770 50 20 DBGD COCC(=O)N[C@H](C(=O)NNc1nccnc1OC)C(C)C 274017473 BDFIZXUKVNPPSE-JTQLQIEISA-N 311.342 -0.285 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)n1 289567687 QBZGIJOUYRSYFT-MBNYWOFBSA-N 322.365 -0.301 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cc(Cn2cccn2)on1 292119680 KDJCDZXUQXCHEB-NSHDSACASA-N 305.294 -0.141 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)[C@H]1CCCCO1 295566894 NHOJYOUTQBLHQI-GFCCVEGCSA-N 321.333 -0.162 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@H]2C)cc1OC 496819171 LRHXZIJYQYFULE-CPCISQLKSA-N 323.305 -0.038 50 20 DBGD Cn1c(CNC(=O)c2ccc(B(O)O)c(F)c2)nnc1C1CC1 584971090 LEKJQXJBBDKLIP-UHFFFAOYSA-N 318.117 -0.559 50 20 DBGD Cn1c(CNC(=O)c2cccc(B(O)O)c2)nnc1C1CC1 584971244 MSWKCEFPVWULIR-UHFFFAOYSA-N 300.127 -0.698 50 20 DBGD OB(O)c1ccc(CNCc2nnc3n2CCCCC3)cc1 585016389 MSNFWDIRXJVFDB-UHFFFAOYSA-N 300.171 -0.026 50 20 DBGD O=S1(=O)CCC[C@@H]1c1nc(-c2cccc(B(O)O)c2)no1 585052458 MSUFEFZKDJZCRU-SNVBAGLBSA-N 308.124 -0.334 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NCCN1C(=O)CCC1=O 733847709 FPINIZIVBWMGGZ-UHFFFAOYSA-N 310.232 -0.582 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(O)cc1O 743445214 JTZNRQFKVJUWBR-UHFFFAOYSA-N 304.262 -0.008 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)Cc1cn2ccccc2n1 746743910 NWOFSTDBJGCXSB-UHFFFAOYSA-N 318.337 -0.657 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 756795888 MKLIJPGLGRLIEP-UHFFFAOYSA-N 324.341 -0.649 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 764299029 ATDJWQZPKHBLKY-UHFFFAOYSA-N 310.697 -0.056 50 20 DBGD Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)C(=O)NC(C)C 764607688 LYXKYXSZIVPXRX-UHFFFAOYSA-N 320.349 -0.086 50 20 DBGD CC(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 801186106 LOQSFUGFBYLGDL-JTQLQIEISA-N 321.333 -0.176 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC(=O)N1C 806273791 FXLYAQYFMQPQHE-SNVBAGLBSA-N 321.333 -0.158 50 20 DBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 814547686 FPRVAVYFHKKPLO-LLVKDONJSA-N 303.274 -0.591 50 20 DBGD CN(C)c1nccc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 821591012 QHEIXAVRTSWDDL-UHFFFAOYSA-N 314.313 -0.192 50 20 DBGD CNC(=O)[C@]1(C)CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 827272908 DCMBRYSKPZAELF-IMSIIYSGSA-N 312.370 -0.390 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)Cc1ccccc1 843972276 DUPCTVUWVQCBNN-AAEUAGOBSA-N 319.361 -0.082 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCc3ncncc3C2)CC1 844138071 UJDIJNNKSIHGSS-LLVKDONJSA-N 318.381 -0.430 50 20 DBGD CCC[C@@H](C(=O)NNC(=S)NCC1CCC1)S(N)(=O)=O 855090330 UROIQPZBJGDTCV-VIFPVBQESA-N 322.456 -0.261 50 20 DBGD CC(C)(C)C[C@H](O)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858696021 HKBIKSFNRUBFHX-DTWKUNHWSA-N 300.359 -0.608 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 862452249 UXUHLCFBLQNHCY-WPRPVWTQSA-N 314.342 -0.817 50 20 DBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458374 DRVIPSIGWLXUGJ-GHMZBOCLSA-N 310.354 -0.893 50 20 DBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)N1CCCCCC1 863463874 XDYWDXPVKLFUDH-SNVBAGLBSA-N 305.400 -0.557 50 20 DBGD CCCOc1cccnc1C(=O)NNC(=O)CS(C)(=O)=O 863464452 DVTKDOLSMNCIIE-UHFFFAOYSA-N 315.351 -0.324 50 20 DBGD COC(=O)c1c(F)cccc1NNC(=O)CN1CCNC(=O)C1 908032549 PQPRZQYVFQWRRU-UHFFFAOYSA-N 324.312 -0.513 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)c(O)nc1=O 917252414 OVUYREHPYKZOTA-UHFFFAOYSA-N 323.696 -0.391 50 20 DBGD CCn1nncc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1117741805 FADVMABOGDTANN-UHFFFAOYSA-N 303.326 -0.025 50 20 DBGD CN1CCC(NC(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 1319479917 UJXCNTYIFNCQQD-UHFFFAOYSA-N 320.357 -0.211 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCC2=O 1323944493 YVERYTADDRRZEI-UHFFFAOYSA-N 321.289 -0.616 50 20 DBGD COc1cc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)[nH]n1 1331626721 RJNXNQUVZORYHZ-UHFFFAOYSA-N 305.298 -0.093 50 20 DBGD CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 1336600222 LUVCICBIHXBSCF-GFCCVEGCSA-N 310.398 -0.123 50 20 DBGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1346069853 VTTWOBPSPGSZEA-WPRPVWTQSA-N 324.337 -0.299 50 20 DBGD Cn1nncc1NNC(=O)c1ccc(CN2CCOCC2)o1 1349711099 YJEHILMNWKYHML-UHFFFAOYSA-N 306.326 -0.003 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=S)NCC1CCC1 1351001805 UBDBMJGGVCPDTA-MRVPVSSYSA-N 313.383 -0.730 50 20 DBGD C#CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1588353674 AMGDHWXUBCUORA-UHFFFAOYSA-N 315.293 -0.791 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1 1601636031 UCDZPTQYDSGVJE-UHFFFAOYSA-N 303.633 -0.350 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C23CCC(C(=O)O)(CC2)C3)N1 1609036282 YVNPDGFGFVEKEN-AHOQVSSZSA-N 309.322 -0.553 50 20 DBGD Cn1cc(C(=O)NNc2ccccc2C(=O)O)c(O)nc1=O 1610600257 CNYKMFHOYWXOGD-UHFFFAOYSA-N 304.262 -0.059 50 20 DBGD CNC(=O)/C(C#N)=C/c1ccc(S(=O)(=O)NCC(=O)O)cc1 1776125361 GIDHIXSRLLPUPJ-UXBLZVDNSA-N 323.330 -0.298 50 20 DBGD C[C@@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110389 QZKWYCOVHABVJG-HHHUOAJASA-N 317.817 -0.181 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)[C@H]2CCOC2)C1 1846688378 HTRCTAUIQBIURD-WDEREUQCSA-N 316.785 -0.174 50 20 DBGD COC(=O)CCCNC(=O)NNC(=O)Cn1nc(C)cc1C 43162530 BLSKJYPLJBDCGN-UHFFFAOYSA-N 311.342 -0.216 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)c1cnn(-c2ccccc2)c1 112824815 AJHWPXBHCSPIHW-UHFFFAOYSA-N 312.293 -0.680 50 20 DBGD NC(=O)COc1cccc(C(=O)NNC(=O)NCC2CC2)c1 139339465 UTHCJWLITCGKQE-UHFFFAOYSA-N 306.322 -0.095 50 20 DBGD Cn1cc(N2CC[C@@H](NC(=O)NNc3ncccn3)C2=O)cn1 265398132 OGVCXKUDAPZOLY-SNVBAGLBSA-N 316.325 -0.358 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cccc([N+](=O)[O-])c1C 269609374 NYTRYYVDKYZGKO-UHFFFAOYSA-N 302.312 -0.104 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCCC(=O)N1 270625250 GHYPOOIYSVXIEP-LLVKDONJSA-N 320.349 -0.077 50 20 DBGD CN(C)CC(=O)NNC(=O)CN1CCc2ccccc2C1=O 280450729 KTQKJACDKXFDFJ-UHFFFAOYSA-N 304.350 -0.606 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1CCCO1 299268358 SDIJHEYPIRZEMH-SECBINFHSA-N 310.310 -0.481 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCCOCC(N)=O)cc(C#N)n1C 490781364 ATDWVYQOUAZTTN-XGICHPGQSA-N 315.333 -0.270 50 20 DBGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN(C)C 495468986 YRUVVUXSGNRLMT-SECBINFHSA-N 302.375 -0.001 50 20 DBGD CC(C)(CNC(=O)c1ccc(B(O)O)cc1)N1CCOCC1 584923738 CAFQEHDFDGRYNK-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD COCCCN1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584940306 RRSGAXNPBBDSQA-UHFFFAOYSA-N 320.198 -0.403 50 20 DBGD CN(C)CC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584945462 IFWCQROQQHEPEN-UHFFFAOYSA-N 308.162 -0.081 50 20 DBGD C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cccc(B(O)O)c1 584988716 SHMNOZFPKNISQL-WFASDCNBSA-N 318.182 -0.698 50 20 DBGD OCCC1(CNCc2ccc(B(O)O)cc2F)CCOCC1 585030834 JUGILHMMZOSWQA-UHFFFAOYSA-N 311.162 -0.226 50 20 DBGD Cn1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1=O 730781128 FNANGDBLPFDUCP-UHFFFAOYSA-N 317.301 -0.069 50 20 DBGD O=C(CN1CCC[C@@H]1CN1CCOCC1)NNC(=O)C1CC1 744414097 VKPSQOMWCHHMTP-CYBMUJFWSA-N 310.398 -0.660 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2CCOC2)c1 744873570 OMHJGIZFKOTKTA-LBPRGKRZSA-N 317.301 -0.101 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cccc2c1OCCO2 751271709 KRVFOJXYXPHZHY-UHFFFAOYSA-N 301.324 -0.030 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccccc2S(C)(=O)=O)C1 754420285 OZGGUGOPMXYPSN-LLVKDONJSA-N 313.379 -0.136 50 20 DBGD CO[C@H](C)C(C)=NNC(=O)CSc1nnc(O)nc1O 763155582 UWDCEVFUFBRPTG-ZCFIWIBFSA-N 301.328 -0.098 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccccc1-n1ccnn1 763557755 DMAFPXVOZPZGMJ-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 764317125 IOZILPSGFUODMN-SNVBAGLBSA-N 321.333 -0.016 50 20 DBGD CNC(=O)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 779482465 SKQKJZITEFGVFU-BDAKNGLRSA-N 310.335 -0.349 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)NCc1ccco1 779502822 GYCAYOQCCGCPPD-KCJUWKMLSA-N 324.337 -0.614 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 782012741 LGQWTLRMQDFICZ-NEPJUHHUSA-N 314.430 -0.291 50 20 DBGD CCOC(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1 785660039 VABYBPKSOUHFLS-UHFFFAOYSA-N 323.305 -0.263 50 20 DBGD C[C@@H]1CSC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 807475809 OOQINKKJORJGEZ-BDAKNGLRSA-N 300.384 -0.309 50 20 DBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1ccc2c(c1)OCCO2 820115183 YIZDYFXAHKMOKV-VIFPVBQESA-N 305.290 -0.645 50 20 DBGD O=C(NCCc1cccs1)NNC(=O)C1(n2cnnn2)CC1 823809739 BIHXCGOTWVAQJL-UHFFFAOYSA-N 321.366 -0.203 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)N1CCCCC1 825709902 VMAJPOIGBDJMLR-QWRGUYRKSA-N 312.370 -0.246 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H](C)CC(=O)O)c1 825922999 OMACYHRWLOMUIF-SSDOTTSWSA-N 308.294 -0.088 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ncc(F)cc1F 846251134 BWJJMAACBNBVOU-UHFFFAOYSA-N 323.325 -0.459 50 20 DBGD COC[C@H](OC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 850201972 XGFDTWVVYVZHCP-LBPRGKRZSA-N 324.333 -0.039 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2cccs2)CCC1=O 852578043 PFXVLSIIQKEPCP-UHFFFAOYSA-N 310.379 -0.327 50 20 DBGD COc1ncnc(N)c1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853388873 QXNNLRFAAXFBSI-KOLCDFICSA-N 320.353 -0.619 50 20 DBGD CCC[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)S(N)(=O)=O 855097444 QLVILGNYSCBZTK-APPZFPTMSA-N 322.456 -0.263 50 20 DBGD C[C@H](NC(=S)NNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 855102613 KUDHHBJKWHEGBT-LURJTMIESA-N 313.343 -0.520 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H](O)c2cccc(F)c2)N1 858696111 IMRAHBTXIUTTRH-WDEREUQCSA-N 324.312 -0.532 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)O1 860400955 DZWRXJLMFMOHDE-NTSWFWBYSA-N 319.243 -0.029 50 20 DBGD O=C(NNCC(F)(F)C(F)(F)F)C1=NN2CCCN=C2N1 863098856 FJEOPUJOPHFXSS-UHFFFAOYSA-N 314.218 -0.217 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](N2CCOC2=O)C1 863886575 FMLMRJQNHTYZGN-GFCCVEGCSA-N 304.111 -0.967 50 20 DBGD C[C@H](NNC(=O)CN1CCCCS1(=O)=O)C(F)(F)F 880167773 WXAMNHFWJWUXHX-ZETCQYMHSA-N 303.306 -0.016 50 20 DBGD C=CCCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 921148946 WKCWADSEHORYHB-UWVGGRQHSA-N 304.368 -0.450 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1117323403 KMPRQKYTIQFBTK-VIFPVBQESA-N 316.325 -0.352 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)cc1 1317899300 VOVOXALHTFYJRI-MRVPVSSYSA-N 300.336 -0.111 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cnn(C2CCOCC2)c1 1319613138 PSIPLRVESYGZTD-UHFFFAOYSA-N 302.356 -0.046 50 20 DBGD CCN(C)C(=O)CNC(=O)NNc1nc(O)c2cnn(C)c2n1 1320551458 NRPVDSTXSWGYEY-UHFFFAOYSA-N 322.329 -0.827 50 20 DBGD C[C@H]1COCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 1326899476 DZFDDZZRMHFOPB-QWRGUYRKSA-N 312.370 -0.388 50 20 DBGD CN(C)N(C(=O)CCCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1350718295 ZRMOAHLQZWQEEK-LLVKDONJSA-N 315.399 -0.449 50 20 DBGD N#CSCCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CNC[C@H]12 1580056661 XZUIWPWCGLXRJC-GMTAPVOTSA-N 317.436 -0.270 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1CCN1 1580733125 MKAKYAGAYRKOHS-STQMWFEESA-N 316.361 -0.456 50 20 DBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1592360361 VGURQVGZNLHSQG-ZETCQYMHSA-N 303.315 -0.231 50 20 DBGD C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CBr)C(=O)O 1607459953 OJGNBGLIALNZLR-WHFBIAKZSA-N 317.161 -0.764 50 20 DBGD CN1N=C(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCC1=O 26965724 ROENZEJWGZOCEL-UHFFFAOYSA-N 318.289 -0.216 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C)cc(C(=O)O)c1O 49423159 PXBDFNZJGHHSHK-UHFFFAOYSA-N 303.296 -0.479 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)n(C)n1 111544323 RZIZNCJBLIKYOA-TXEJJXNPSA-N 323.397 -0.011 50 20 DBGD O=C1CCC(=O)N1CCCNS(=O)(=O)CBr 272806065 MDEZRSKHHYPONY-UHFFFAOYSA-N 313.173 -0.203 50 20 DBGD COC(=O)N(C)NC(=O)CCc1c(C)nc2nc(N)nn2c1C 286304700 KBPWYGAFTKATNY-UHFFFAOYSA-N 321.341 -0.015 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CN(C)NC2=O)cc(C#N)n1C 490813486 PRFUTFWBHNPJBF-RVFSUOIPSA-N 312.333 -0.426 50 20 DBGD COc1ncc(/C=C/C(=O)NNC(=O)C(=O)N2CCCC2)cn1 493203171 HUKCXFRQJVYJIF-SNAWJCMRSA-N 319.321 -0.732 50 20 DBGD CC(C)[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCN1C 584980912 OGUDTTLUESKIMC-CQSZACIVSA-N 308.162 -0.082 50 20 DBGD OB(O)c1ccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)o1 585050336 XFSXCEYSHAAHLL-ZIAGYGMSSA-N 320.198 -0.308 50 20 DBGD CC(C)c1nc(C#N)c(NNC(=O)CN2CC(=O)NC2=O)o1 732279219 LJDSEELJOYTWQF-UHFFFAOYSA-N 306.282 -0.335 50 20 DBGD CN1CC[C@H](N(C)CC(=O)NNC(=O)c2cccs2)C1=O 738333761 ZKSASYIATYZOBW-VIFPVBQESA-N 310.379 -0.328 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)c1ccc2c(c1)C(=O)NC2=O 743471581 PWNCMDUREVLPOC-UHFFFAOYSA-N 323.272 -0.007 50 20 DBGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)N(C)C 746594303 ZVMPSSKZPBHULT-QMMMGPOBSA-N 318.337 -0.016 50 20 DBGD CCOC(=O)C(C)(C)n1cc(NC(=O)NNC(=O)CO)cn1 757721666 XXSRCPKOUHWBOT-UHFFFAOYSA-N 313.314 -0.674 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@H](O)C[C@@H]2C)n1 761113065 MODDGRVAOVVWCS-VHSXEESVSA-N 312.395 -0.403 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnccc1N(C)C 776180313 LWBLOFKTILOJNC-VIFPVBQESA-N 313.383 -0.465 50 20 DBGD Cc1cccc2c(=O)n(CCC(=O)NNC(=O)CO)cnc12 777781327 NTGAPLWTPPKQNQ-UHFFFAOYSA-N 304.306 -0.765 50 20 DBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 788169487 PIZJYFMYOUGNKK-LBPRGKRZSA-N 311.386 -0.767 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NNc2cnccn2)nc1 792399350 AGKGSECRMVIZFV-UHFFFAOYSA-N 323.338 -0.072 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)nn1 799231024 DADYXCKRINILMX-UHFFFAOYSA-N 319.281 -0.239 50 20 DBGD COC(=O)C[C@@H]1CSCCN1CC(=O)NNC(=O)C(C)C 828052779 KGXFQFKXDJKSLA-SNVBAGLBSA-N 317.411 -0.230 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 843970004 AUIZNHJZQCUNJG-POYBYMJQSA-N 309.282 -0.242 50 20 DBGD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1 844110998 CGUDNXFWBNJEBT-SGSKXYASSA-N 318.333 -0.291 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCC[C@@]1(O)CCCOC1 845714858 WNZLUBWIKPUVGG-HNNXBMFYSA-N 322.365 -0.114 50 20 DBGD CSCC1(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 846634548 YZPGXBURZCWRKU-QMMMGPOBSA-N 323.440 -0.395 50 20 DBGD COC[C@H](OC)C(=O)OCC(=O)NNC(=O)c1ccccc1 850196078 NDTXNGDXSMGDKW-NSHDSACASA-N 310.306 -0.348 50 20 DBGD O=C(CN1CCOCC1=O)NNC(=O)c1cccc(Cl)n1 857323267 HGPMIOSLKBMKTI-UHFFFAOYSA-N 312.713 -0.645 50 20 DBGD CCc1ccnc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858700555 OHGPJZHCZLVMQH-NSHDSACASA-N 305.338 -0.247 50 20 DBGD CN(C)CCn1ccc(NC(=O)NNC(=O)c2cn[nH]c2)n1 860690207 WUXJCRXLYKBYJO-UHFFFAOYSA-N 306.330 -0.366 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cnn1CC(C)C 862458140 YEMOAHSYZRSYQD-NSHDSACASA-N 307.354 -0.113 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2cccc(F)c2F)N1 863412722 NEFXJZMXQUABJO-SSDOTTSWSA-N 319.289 -0.447 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21 863467160 PFZQXLBEGGRQLS-CYZMBNFOSA-N 308.359 -0.236 50 20 DBGD CCOC(=O)CC(C)(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 863935575 QIMCAQUQBSNDIP-SECBINFHSA-N 313.354 -0.218 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 887144314 JIXZSYBLNNYVRJ-GFCCVEGCSA-N 308.382 -0.653 50 20 DBGD CN(C)[C@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C12CCC2 912600613 CPEDEUWNDJKBBV-KGLIPLIRSA-N 302.183 -0.031 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cnn(CC(F)(F)F)c1 1116672882 LYEMVEYHLSSRSE-UHFFFAOYSA-N 315.277 -0.042 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccn3c(O)nnc23)cn1 1320792586 DMPYLVKUESANLR-UHFFFAOYSA-N 301.266 -0.757 50 20 DBGD CCONC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1321421511 YTPTXOBAILFSAC-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD C=CCNC(=S)NNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1322555899 RUMRAHZCEMIBBR-VAWYXSNFSA-N 323.378 -0.416 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c(F)ccnc1F 1326762086 DGKWMNLOPCYKEV-ZCFIWIBFSA-N 319.289 -0.445 50 20 DBGD C[S@@](=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1329202229 XJSRCVXWKAJRCM-LADRHHBVSA-N 309.347 -0.536 50 20 DBGD CN(C)N(C(=O)c1ccnc2ccnn12)[C@H]1CCS(=O)(=O)C1 1331745849 UNTBWOTXGQXQNC-JTQLQIEISA-N 323.378 -0.165 50 20 DBGD O=C(NNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1)c1cccnn1 1336947122 KTLWCKBDGUFKRD-CNVPUSNMSA-N 301.306 -0.284 50 20 DBGD O=C(NNC(=O)c1cc2nccnc2cc1F)C(=O)NC1CC1 1339586504 NPJYXZPRFMHEKW-UHFFFAOYSA-N 317.280 -0.192 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCO[C@H](C2CC2)C1 1342638411 QEVGVZXSASKJPM-NEPJUHHUSA-N 324.381 -0.103 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)Cc1cccnc1 1349061340 KDMVMNFPAFJJFT-KOLCDFICSA-N 321.337 -0.589 50 20 DBGD CCN1CCOC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 1353486035 HDLPKPYSMWWSFE-VIFPVBQESA-N 321.341 -0.767 50 20 DBGD C[C@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)[C@@H](C)N 1576105999 ZBUZRKAGJCTAFH-ZJUUUORDSA-N 315.418 -0.005 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cccn1C 1580465284 WZJBVIZFQNGWSG-UHFFFAOYSA-N 314.309 -0.083 50 20 DBGD CC(C)COc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)O 1591409795 NUVYTAMWODWOEJ-UHFFFAOYSA-N 323.305 -0.108 50 20 DBGD COc1cc(C(=O)NNC(=O)N(C)C)ccc1-c1nn[nH]n1 1591515623 ZVTHXEFGEVFZPY-UHFFFAOYSA-N 305.298 -0.209 50 20 DBGD CO[C@H](CS(=O)(=O)NNC(=O)NCC(=O)O)C1CCCC1 1599055546 GKEWQBPAYOEJKF-SECBINFHSA-N 323.371 -0.590 50 20 DBGD O=C(O)c1csc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 1602563722 HRGFCHOENGQXSA-ZETCQYMHSA-N 305.142 -0.316 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@@H](Cc1cncs1)C(=O)O 1603705980 IVIRCVSOBNGQNX-VIFPVBQESA-N 314.367 -0.468 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1603953791 ATFAYGLXZHGWNV-SVRRBLITSA-N 306.282 -0.354 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)C2CCOCC2)CO1 1606111765 NQDMTINGCBDDGV-WDEREUQCSA-N 314.338 -0.170 50 20 DBGD O=C(C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1)C1CC1 1841348363 QBZZRZYBOANQTB-SNVBAGLBSA-N 314.769 -0.231 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)o1 139322909 XZJLCDJUURPYLL-UHFFFAOYSA-N 316.339 -0.458 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCN2CCOCC2(C)C)cn1 265402591 PZDKJPWRCOVADJ-UHFFFAOYSA-N 324.385 -0.525 50 20 DBGD CNc1snc(C)c1C(=O)NNC(=O)C(=O)N1CCCC1 299583505 RQFMQHIZFRYKTM-UHFFFAOYSA-N 311.367 -0.123 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 363850654 DJEAYAALNOBMLN-UTUOFQBUSA-N 324.381 -0.103 50 20 DBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)OC)c1 490540136 XPTABGLQGJUYGQ-UHFFFAOYSA-N 311.319 -0.401 50 20 DBGD COC(=O)NCCNC(=O)NNC(=O)Cc1ccccc1OC 496620998 FGKGAJNAGDMPJH-UHFFFAOYSA-N 324.337 -0.076 50 20 DBGD NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(B(O)O)cc1 584937273 RCLZRNYBELCHQJ-YUTCNCBUSA-N 316.166 -0.375 50 20 DBGD COCCCN1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584937338 BXAWKHXLIMRRAZ-UHFFFAOYSA-N 320.198 -0.449 50 20 DBGD O=C(NCCCN1CCC(O)CC1)c1cc(B(O)O)ccc1F 584947753 AFDHDEOVAJWBHP-UHFFFAOYSA-N 324.161 -0.918 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(OCCO)CC1 584967000 OPSKYFRUSKOCNC-UHFFFAOYSA-N 311.118 -0.881 50 20 DBGD COCC[C@@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584992936 TYMCNURIGLBGKH-LLVKDONJSA-N 311.118 -0.617 50 20 DBGD CCOCC(=O)NNC(=O)NCCN1CCOCC1(C)C 731283203 DFFSIKRTKYWNDP-UHFFFAOYSA-N 302.375 -0.536 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2nc(CC(=O)O)cs2)cn1 738406419 QDYUWPLKBFSBAQ-UHFFFAOYSA-N 324.322 -0.030 50 20 DBGD CCOc1ccc(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)cc1 753451855 JCOYYMWBHXWMPC-SNVBAGLBSA-N 321.333 -0.422 50 20 DBGD Cc1ccc([C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)o1 758049158 YOFJDFFZQQIMGO-BDAKNGLRSA-N 317.367 -0.223 50 20 DBGD CN1CCN(CC(=O)NNC(=O)Cc2ccc(F)cc2)CC1=O 763284599 SBYVUMFCDCVTDD-UHFFFAOYSA-N 322.340 -0.710 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)c(OC)n1 763817318 HBWQZBMTOOAQSH-UHFFFAOYSA-N 310.310 -0.159 50 20 DBGD CCCNC(=O)CCC(=O)O[C@H](C)C(=O)NNC(=O)CC 772112389 YVBFHAJTAFJQNK-SECBINFHSA-N 301.343 -0.218 50 20 DBGD COCc1nn(CC(=O)NNC(=O)c2ccccc2)c(=O)o1 776848564 SJRDHLYKVXRNHS-UHFFFAOYSA-N 306.278 -0.556 50 20 DBGD O=C(NNc1ncncc1Cl)N[C@H]1CCS(=O)(=O)C1 780171760 PUSFFPWRWQWJLR-LURJTMIESA-N 305.747 -0.057 50 20 DBGD CC(C)c1cc(NC(=O)NNC(=O)CO)n(-c2ncccn2)n1 789255123 UXXUVQZYUKVLGI-UHFFFAOYSA-N 319.325 -0.069 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 794860521 JVTSYNHCDYWIMC-UHFFFAOYSA-N 304.284 -0.274 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)c1nnc(O)nc1O 798307009 GKNCLHJQVSZKRM-UHFFFAOYSA-N 323.240 -0.738 50 20 DBGD CN1CCN(C(=O)NNC(=O)COCc2ccccn2)CC1 807380623 YWAJEWUAPMLQRG-UHFFFAOYSA-N 307.354 -0.414 50 20 DBGD Cc1cccc2c1O[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C2 823943670 LFIBEYQVQJSNQB-NSHDSACASA-N 305.334 -0.029 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)CN1CCCC1=O 825855777 UIOVYOSZGRQJHO-OUAUKWLOSA-N 312.370 -0.247 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)Cc2cccnc2)n1 826123688 SVGFLMSKLJGKSM-UHFFFAOYSA-N 317.353 -0.244 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nc(C2CC2)n[nH]1 827126840 MINFPKVVKQSAIZ-VXNVDRBHSA-N 308.342 -0.063 50 20 DBGD CO[C@@H]1COC[C@H]1NCC(=O)NNC(=O)c1ccc(C)cc1 830092898 ZWQYVEFVRDWKCK-CHWSQXEVSA-N 307.350 -0.241 50 20 DBGD CC(C)O[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1 838747572 MQJXKKIRAKPXSL-PHIMTYICSA-N 312.370 -0.105 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@]1(O)CCOC1 840237306 JBUKZGQWHGGWSD-HNNXBMFYSA-N 324.333 -0.237 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cc2cnn3ccccc23)CC1 844136729 IQAPOZUUWYDKIE-UHFFFAOYSA-N 316.365 -0.135 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)CCc2ccccc2)CC1 845362358 BOYCJFNFWYVBFZ-UHFFFAOYSA-N 311.363 -0.412 50 20 DBGD O=C(NNS(=O)(=O)N1CCOCC1)c1cccc(Cl)n1 849312887 PCFVCEGBUSQFHC-UHFFFAOYSA-N 320.758 -0.454 50 20 DBGD COC[C@H](OC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 850202396 WWPDKQGWRYDUSJ-ZJUUUORDSA-N 304.343 -0.227 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1NC(=O)O[C@H]1C 854284415 JKZRWJSDONAZCI-JGVFFNPUSA-N 304.372 -0.643 50 20 DBGD CN1CCCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1=O 874257695 JTVOPBHPSCYKHF-JTQLQIEISA-N 310.354 -0.985 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)CC(F)(F)F 918364173 LHMAXKUVFZDRHJ-UHFFFAOYSA-N 311.260 -0.275 50 20 DBGD CN1CC[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 1115832422 PNTPFGOCXQDVLF-QWRGUYRKSA-N 317.411 -0.653 50 20 DBGD Cc1ncccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1118202891 HOSWFGVCWYVYGC-NXEZZACHSA-N 306.322 -0.099 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 1254883234 YABJPRKLTUHXRU-UHFFFAOYSA-N 321.272 -0.703 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cncc(Br)c1 1319528849 KANZISQNCYWZEV-UHFFFAOYSA-N 323.172 -0.164 50 20 DBGD CCc1cc(NC(=O)C(=O)NNc2nccnc2OC)n(C)n1 1320390820 DPDUOCGVCADVPE-UHFFFAOYSA-N 319.325 -0.137 50 20 DBGD CC[C@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)OC 1324264529 OFBGWPOUIINVRF-SECBINFHSA-N 309.326 -0.225 50 20 DBGD Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)N(C)C 1324683376 AAMHEUHWRJIDQL-UHFFFAOYSA-N 305.342 -0.024 50 20 DBGD CCCn1nc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)c1C 1330169460 ZKJJINVSGBLBMA-UHFFFAOYSA-N 316.383 -0.284 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)NCC(F)(F)F 1330303963 KKMCAGARAXLQQH-ZETCQYMHSA-N 318.060 -0.837 50 20 DBGD O=C(C[C@H]1CCC(=O)N1)NNc1ccc(-n2ccnc2)nn1 1334407338 CLRGAXXNMMAHDI-SECBINFHSA-N 301.310 -0.226 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)s2)nn1 1581762082 HEAVZKNIOKCUSW-UHFFFAOYSA-N 319.310 -0.869 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNc2cccc(F)n2)C1=O 1606253799 YEEWLZPRVAWCTO-QMMMGPOBSA-N 310.285 -0.013 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNC(=O)NC1CC1 1606596956 ZFUFKLNYPMRXLY-UHFFFAOYSA-N 302.298 -0.703 50 20 DBGD Cc1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)on1 141594217 FGPYEMILPQOTIW-NSHDSACASA-N 302.356 -0.136 50 20 DBGD C=CCCOCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 148624705 IWYHXJLXQZZZRL-VIFPVBQESA-N 305.356 -0.903 50 20 DBGD COC(=O)NNC(=O)Cn1cc(Br)ccc1=O 158924148 LVLRLJPSXQKUKE-UHFFFAOYSA-N 304.100 -0.002 50 20 DBGD O=C(COc1ccccc1O)NNS(=O)(=O)[C@H]1CCOC1 265374814 BBRQLGJCKNWQTH-VIFPVBQESA-N 316.335 -0.490 50 20 DBGD COCCCNC(=O)NNC(=O)COc1c(C)nn(C)c1C 268145989 DHTVPYURYMQKLS-UHFFFAOYSA-N 313.358 -0.217 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(=O)(=O)C2CCCC2)[nH]n1 268849078 QANDFPXGEUKFSJ-UHFFFAOYSA-N 314.367 -0.163 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 271261159 IQCVVQMUWQURHB-ZDUSSCGKSA-N 311.342 -0.601 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1ccccc1 273525993 UDWGWJXCJMBKOW-NXEZZACHSA-N 313.379 -0.125 50 20 DBGD COC(=O)NCC(=O)NNC(=O)Cn1cnc2ccccc21 491341003 CHMIRKDOUPVFPX-UHFFFAOYSA-N 305.294 -0.460 50 20 DBGD CN(Cc1nnc2n1CCC2)C(=O)c1cccc(B(O)O)c1 584927224 ORUXJEVZWXYVQF-UHFFFAOYSA-N 300.127 -0.824 50 20 DBGD CC(C)[C@@H](CNC(=O)c1cccc(B(O)O)c1)N1CCOCC1 584928811 MQPFGWNNPJLRFB-OAHLLOKOSA-N 320.198 -0.547 50 20 DBGD Cn1cc(CCCCNC(=O)c2cccc(B(O)O)c2)cn1 584943626 LQPJLGNVMVSJPJ-UHFFFAOYSA-N 301.155 -0.147 50 20 DBGD C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)CCS1(=O)=O 584982239 JEYCCKIRKSSWLH-SNVBAGLBSA-N 311.168 -0.984 50 20 DBGD CN(C)CCn1cc(NC(=O)c2ccc(B(O)O)cc2)cn1 585004243 ALNXVTNUDKBBOQ-UHFFFAOYSA-N 302.143 -0.623 50 20 DBGD O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCB(O)O 585059250 GKWLXSOVEISRSM-UHFFFAOYSA-N 312.471 -0.322 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CBr 696853179 JPWNBMLRSVCHTR-PHDIDXHHSA-N 322.202 -0.930 50 20 DBGD Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)CN(C)C 727761671 ZSTQZSVXPDUROC-UHFFFAOYSA-N 319.369 -0.617 50 20 DBGD CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)CS(C)(=O)=O 733197458 CLSXLBIPHFIVRS-SECBINFHSA-N 305.400 -0.701 50 20 DBGD O=C(NNC(=O)C(F)(F)C(F)F)N[C@@H]1CCS(=O)(=O)C1 749355241 NXWBTWPAIRZCPL-SCSAIBSYSA-N 321.252 -0.596 50 20 DBGD CC(C)CCO[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048477 SWQGIEHAMUHTLF-VHSXEESVSA-N 323.415 -0.477 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)C2CC(O)C2)n1 759872757 CSYFWCZDFQNKNU-UHFFFAOYSA-N 312.395 -0.403 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)cs1 764299691 KQCKWWVCRVJUHS-UHFFFAOYSA-N 315.307 -0.733 50 20 DBGD C[C@@]1(CCCC(=O)NNC(=O)c2ccccn2)NC(=O)NC1=O 771828135 ZCPUGGIBEPARCY-AWEZNQCLSA-N 319.321 -0.389 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(C(C)=O)C1 771964073 SEWDNRSNJANLCW-ONGXEEELSA-N 313.354 -0.266 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)NCC2 775623825 DULKMHMDMHUZCW-UHFFFAOYSA-N 305.338 -0.313 50 20 DBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CO1 784295260 DPABKERMQSZCCC-ONGXEEELSA-N 316.321 -0.152 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NOCC(F)F 792886062 YLOGDIDWFHWHQZ-UHFFFAOYSA-N 306.225 -0.464 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)oc1C 798338145 AHDYWQKICLNVMB-UHFFFAOYSA-N 304.328 -0.458 50 20 DBGD CO[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1cnn(C)c1 802032090 BHCQBDPVAHECNA-LLVKDONJSA-N 304.310 -0.223 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)COC(F)F)C[C@@H](C)O1 806341073 YZHYGLVTXKCRTC-RKDXNWHRSA-N 309.313 -0.128 50 20 DBGD COCCO[C@H](C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 821692090 NYWXFWYBQYLCFR-MRVPVSSYSA-N 308.298 -0.039 50 20 DBGD C[C@H](CO)N(C)NC(=O)Cn1cc(Br)ccc1=O 823971422 TXQVNURMJWQMIQ-MRVPVSSYSA-N 318.171 -0.045 50 20 DBGD C[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 839533827 YQBJGEIFBHEMFG-CABZTGNLSA-N 322.321 -0.189 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)c1cccc(Cl)c1 845081821 VEOSITQMLPWHQS-SECBINFHSA-N 317.754 -0.207 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 854922981 VPKXEZXNPVJNRD-VHSXEESVSA-N 323.378 -0.576 50 20 DBGD CNC(=S)N(C)NC(=O)c1cccnc1N1CCOCC1 854925214 GKZBVJQOAHRYFM-UHFFFAOYSA-N 309.395 -0.001 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-n2cncn2)n1 855006651 PLAOFRGUFKOHOZ-UWVGGRQHSA-N 316.321 -0.152 50 20 DBGD CC(C)(C)C[C@@H](CO)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858694961 CZENTXBMQNRWPU-DTWKUNHWSA-N 300.359 -0.608 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@H](O)C23CCCC3)N1 858699986 BRPJODCNYZOLNK-UWVGGRQHSA-N 310.354 -0.615 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)(F)F)c1cn[nH]c1 862470707 VBTQWAMSZPMCCY-QMMMGPOBSA-N 321.259 -0.566 50 20 DBGD CCOC(=O)CCCNC(=O)COc1ccc(B(O)O)cc1 863865963 NXDAJNRHEKKAAF-UHFFFAOYSA-N 309.127 -0.795 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)N(C)CCO2 873837349 RYYWWDJQGKKAQE-UHFFFAOYSA-N 320.349 -0.199 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCNS(C)(=O)=O 1253337599 DCRRGUGBCIGNNJ-JTQLQIEISA-N 322.431 -0.951 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnnc(O)c2)C[C@@H](C)O1 1261762521 WBWKVFOAUBGACW-AOOOYVTPSA-N 323.353 -0.558 50 20 DBGD CC[C@H]1CCCCN1CCNC(=O)NNC(=O)C(=O)OC 1319298609 DWGUNWFDUNLZDW-JTQLQIEISA-N 300.359 -0.246 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ncc(F)cn1 1319551906 IHOGABZZMVUFEZ-UHFFFAOYSA-N 314.302 -0.642 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 1322110448 OOXOVUMPCNJOJE-UHFFFAOYSA-N 314.323 -0.518 50 20 DBGD Cn1nnc2cc(NC(=O)C(=O)NNC(=O)C3CC3)ccc21 1326821425 SCLWBPUFGGHVKV-UHFFFAOYSA-N 302.294 -0.536 50 20 DBGD Cc1nn(C)c(C)c1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331295656 GBEMXJJMLQQZPE-SNVBAGLBSA-N 308.342 -0.854 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNc1nccn(C)c1=O 1340293216 FGDVPSDSFIIXIS-UHFFFAOYSA-N 306.326 -0.347 50 20 DBGD NC[C@@H](O)CC(=O)NNC(=O)c1ccc(Br)s1 1580231862 KJVFACJMSSOVNH-YFKPBYRVSA-N 322.184 -0.019 50 20 DBGD O=C(Cc1ccccc1N1CCCC1=O)NNC(=O)[C@H]1CCN1 1580574168 WNEJVPSFDOUNGH-GFCCVEGCSA-N 316.361 -0.135 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1589512991 YMYQBHNPHMPXRD-BDAKNGLRSA-N 313.354 -0.061 50 20 DBGD OB(O)c1ccccc1CNCc1ccc(-c2nn[nH]n2)s1 1593498637 RBQMEMXYBRZIBM-UHFFFAOYSA-N 315.167 -0.102 50 20 DBGD C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NNC(=O)C(=O)O)O2)[C@@H]1C 1594641352 XACWSZCNDLMBNO-LOKDSWTASA-N 315.326 -0.626 50 20 DBGD C[C@@H]1C[C@H](C(=O)NCCSS(C)(=O)=O)O[C@H]1C(=O)O 1599875241 OVMAVCJOKCJLHC-BWZBUEFSSA-N 311.381 -0.326 50 20 DBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)COc1ccc(F)cc1 1604463461 PWCSCGNVYSROFR-CYBMUJFWSA-N 314.269 -0.158 50 20 DBGD COC/C=C/C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605073929 ULLSMWKRZVZRJC-NSCUHMNNSA-N 302.294 -0.170 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2cccnc2)O[C@H]1C(=O)O 1607442549 KCTZLBBIZDSPQB-HLUHBDAQSA-N 307.306 -0.350 50 20 DBGD NCC(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805518468 GXLSFXUNFVCZEV-LLVKDONJSA-N 317.817 -0.224 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)cc1 119503098 BFFQLOJODBBCDO-UHFFFAOYSA-N 304.350 -0.470 50 20 DBGD COCCCNC(=O)NNC(=O)c1cccc(OCC(N)=O)c1 139592797 HXZHUXRQIKAAGX-UHFFFAOYSA-N 324.337 -0.469 50 20 DBGD Cc1nnc(SCCC(=O)NNC(=O)N2CCOCC2)[nH]1 266841425 MSTJMYHYHRZDBZ-UHFFFAOYSA-N 314.371 -0.332 50 20 DBGD COC(=O)NNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 298290994 DPKMRUYVTYNKBU-AMIZOPFISA-N 312.326 -0.126 50 20 DBGD CC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C)C1 584959180 CYDBQLUNCDBSMN-VIFPVBQESA-N 308.118 -0.802 50 20 DBGD CN(C)[C@H](CNC(=O)c1ccc(B(O)O)cc1)c1cccnc1 584960194 JKHCDHJVJZHOHZ-OAHLLOKOSA-N 313.166 -0.206 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1OC 584973716 BPXDINKIEHWRTO-XQQFMLRXSA-N 311.118 -0.572 50 20 DBGD C[C@@]1(c2nc(-c3cccc(B(O)O)c3)no2)CCCNC1=O 585053452 KWHPRGPGXNRIRP-CQSZACIVSA-N 301.111 -0.416 50 20 DBGD CCOc1ccccc1C(=O)NCC(=O)N1CC[C@@H](B(O)O)C1 585065801 KLIZEXOFTLBAQS-LLVKDONJSA-N 320.154 -0.110 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1cncc(Cl)n1 731760444 JOHJEJMOAWPXQU-UHFFFAOYSA-N 322.778 -0.305 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)NCC2CC2)CC1=O 746167043 MFVMCUNPHPWNOO-NSHDSACASA-N 311.386 -0.863 50 20 DBGD O=C1C[C@H]2CC[C@@H](CN1)N2CC(=O)NNC(=O)c1cccs1 748828717 LBFMCCWRDVZLSE-ZJUUUORDSA-N 322.390 -0.138 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(C(N)=O)cc1 753483122 RRHUFXWUQVVSTC-VIFPVBQESA-N 321.333 -0.183 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 756818597 PZYFIVWNYJTAKW-UHFFFAOYSA-N 308.294 -0.159 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1CCCC1 758048295 RSEXKIAZVGWEHH-MRVPVSSYSA-N 307.372 -0.969 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 764303580 OMSBJCKIIBJMDU-UHFFFAOYSA-N 306.322 -0.589 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2cccc3nonc23)cn1 765089973 MHFFJFBVOZHGCQ-UHFFFAOYSA-N 322.306 -0.420 50 20 DBGD O=C(CN1CCOCC2(CCOCC2)C1)NNC(=O)C1CC1 784610056 PIWNAABYIWVFDU-UHFFFAOYSA-N 311.382 -0.327 50 20 DBGD C[C@H](C(=O)NNc1nc2ccccn2n1)N1CCN(C)CC1 791257726 MNOWGEGVMNNVBU-LLVKDONJSA-N 303.370 -0.192 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 794841546 FWLCFOBECNXRNT-WDNDVIMCSA-N 303.362 -0.074 50 20 DBGD COC(=O)CSCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825943155 ZKQPKHRULMQWCP-RKDXNWHRSA-N 319.383 -0.352 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(CCN(C)C)n1 848233776 BJIKHORFOAVFAH-GHMZBOCLSA-N 309.370 -0.369 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1(N)CCCC1 851671788 TWDAQRXLTVVRLT-SNVBAGLBSA-N 302.375 -0.360 50 20 DBGD CC(=O)N[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1 852712191 HXAMRUUSISQBAL-VIFPVBQESA-N 309.301 -0.215 50 20 DBGD Nc1c(O)nc(O)nc1C(=O)NNCC(F)(F)C(F)(F)F 863095167 JTOFUCVHSNLZOB-UHFFFAOYSA-N 317.174 -0.098 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2cccc(Cl)c2)N1 863414360 UCHBEBKZJGIROQ-SECBINFHSA-N 317.754 -0.072 50 20 DBGD CCOC(=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CC1 863878712 JJUJKZSJTZWWOM-UHFFFAOYSA-N 309.102 -0.421 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)C[C@H](O)CN2C)cc1 899946356 AEGYWQIAOVRHKZ-LRDDRELGSA-N 321.377 -0.024 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccco1 1252222901 ZPJDILLXXFLPFZ-IUCAKERBSA-N 300.336 -0.035 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C(N)=O)nc2)n1 1318160627 PWNBHPAJZFEPBA-UHFFFAOYSA-N 316.321 -0.545 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1cc(Cl)ccn1 1318463208 XRBLRUXEJOZSDM-UHFFFAOYSA-N 313.745 -0.826 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCO[C@@H](C2CC2)C1 1320546746 VHYUBENFIZTGJF-WDEREUQCSA-N 310.354 -0.447 50 20 DBGD COCCn1cc(NC(=O)C(=O)NNC(=O)CC2CC2)cn1 1321153891 IETMMXJBXXAVTD-UHFFFAOYSA-N 309.326 -0.585 50 20 DBGD COC(=O)N(C)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 1323787518 SOCUSXMMIFSAKM-JTQLQIEISA-N 323.353 -0.075 50 20 DBGD CC(C)n1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1324409099 KAHLRMJODUIBKY-SECBINFHSA-N 314.367 -0.340 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 1325505830 HCRRDQJHRXENBA-SNVBAGLBSA-N 307.306 -0.040 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNC(=O)c1ccc[nH]1 1328704945 WEYVCPLVTUCMQA-SECBINFHSA-N 312.326 -0.339 50 20 DBGD Cc1c([C@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cnn1C 1331504105 NMXWJOOLFJLXDK-OIBJUYFYSA-N 308.342 -0.601 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2cncc(Cl)c2)N1 1331737321 XGVDPLSOZQXYIX-MRVPVSSYSA-N 318.742 -0.677 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1F 1338611123 BIZNMXZVNDEOHI-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD Cn1c(Cl)cnc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1344574482 LXQGVZMDMYROAE-SSDOTTSWSA-N 304.759 -0.042 50 20 DBGD C[C@H](O)CN(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1590001293 WJYFEGCTGLMVFB-QMMMGPOBSA-N 306.330 -0.983 50 20 DBGD Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cc[nH]n1 1592099738 OMYPHZHFLGYQJE-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 1593908243 GEJLXXAGTHATMW-XCBNKYQSSA-N 314.269 -0.160 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cncc(C(=O)O)c2)cn1 1594530264 IQUWFHPKXNALID-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)c(C)c1 1595961562 NHWARGBQNGGFDO-UHFFFAOYSA-N 323.305 -0.046 50 20 DBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)COc1ccc(C#N)cc1 1604462313 BOZXMTUIUCMZHY-CQSZACIVSA-N 321.289 -0.426 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc(C(=O)O)o2)N1 1609036140 VNUNAGAPTXIGQP-SSDOTTSWSA-N 310.266 -0.913 50 20 DBGD C/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783057317 SLWUIDPCXXLKKF-OAWOSGDHSA-N 316.785 -0.008 50 20 DBGD C/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800457366 NADLHAPUNKYTKY-DCADLRGKSA-N 316.785 -0.248 50 20 DBGD O=C1CC(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1846987180 AQEJDUXXXFXOFI-LLVKDONJSA-N 314.769 -0.231 50 20 DBGD O=C([C@@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCOC1 1847568576 YVBLOFDRXUJFCH-RHYQMDGZSA-N 316.785 -0.176 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](c1ccccc1)N(C)C 195458958 UULXBDMAGCJCSL-LBPRGKRZSA-N 306.366 -0.039 50 20 DBGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)CN(C)C 265075559 OYSCUZNHVQCQPT-VIFPVBQESA-N 304.416 -0.657 50 20 DBGD Cn1c(NNC(=O)C[C@@H]2COCCN2)nc2ccccc2c1=O 285708748 RRBWXGUYMJXXSP-SNVBAGLBSA-N 317.349 -0.245 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)CNC(C)=O)cc1OC 298335336 UXSSENXYCUKFIT-UHFFFAOYSA-N 309.322 -0.009 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)c(OC)c1 496574489 XLCZBKKYYUPUJU-HQJQHLMTSA-N 323.305 -0.038 50 20 DBGD OB(O)c1ccc(OCc2nnnn2CC2CCOCC2)cc1 584910090 MMXBHSPJQLTNSI-UHFFFAOYSA-N 318.142 -0.642 50 20 DBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](O)C(F)(F)F 584969250 SIKJCIUJYLRHPQ-ZJUUUORDSA-N 305.061 -0.202 50 20 DBGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)C(=O)NC1CC1 741462403 OLMAFOVKVXBJKU-JTQLQIEISA-N 301.368 -0.276 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3CNC[C@@H]3C2)c1 744389160 MGRYZMYGINZDBG-OKILXGFUSA-N 302.378 -0.093 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCS1 758043186 FZSMXBYYPWJKNM-JGVFFNPUSA-N 309.413 -0.643 50 20 DBGD O=C(NNC(=S)NC[C@H]1CCCCO1)C(=O)N1CCCC1 758217057 ROUGQDSGKQOCLY-SNVBAGLBSA-N 314.411 -0.327 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN(C)[C@H]1CCSC1 772235724 NGQGVOWVUAYVDB-ZJUUUORDSA-N 317.411 -0.087 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3C[C@@]3(CO)C2)c1 782636135 WYQLRUYUUDGDSG-BBRMVZONSA-N 314.345 -0.367 50 20 DBGD CCC(O)(CC)CCNC(=O)NNC(=O)C(=O)N1CCCC1 788323969 KUHHHRXKMUJMDE-UHFFFAOYSA-N 314.386 -0.120 50 20 DBGD COC(=O)CNC(=O)NN=C1CCC[C@H](S(C)(=O)=O)C1 788439431 SMBJAIHJJSXBFK-VIFPVBQESA-N 305.356 -0.198 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC(c3cccnc3)=NO2)cn1 790655851 PANKMMAWLAONSV-GFCCVEGCSA-N 314.305 -0.231 50 20 DBGD C[C@H](C(=O)NNC(=O)C(=O)NC1CC1)N(C)CC(F)(F)F 792854841 UKKCWEDVFPDAKJ-ZCFIWIBFSA-N 310.276 -0.705 50 20 DBGD O=C(CO)NNC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806759327 XUMPSSFWZHIVLR-UHFFFAOYSA-N 314.685 -0.184 50 20 DBGD COc1cccc(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)n1 823906130 UDBPJVQDCMBAPB-QMMMGPOBSA-N 307.310 -0.136 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 823947317 WHRZSCQYZDXWTO-LLVKDONJSA-N 323.397 -0.101 50 20 DBGD C[C@H]1CC(=O)NCCN1CC(=O)NNC(=O)c1ccc(F)cc1 839533559 KMKHPUFXHMWNIV-JTQLQIEISA-N 322.340 -0.203 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCCS2(=O)=O)c1 846856587 CGNLOYWYYGOPRH-LLVKDONJSA-N 307.331 -0.104 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2ccccn2)n1 854121404 DJMWQMJOOSMDPK-UHFFFAOYSA-N 303.326 -0.173 50 20 DBGD COCCN(C)NC(=O)c1cc(S(N)(=O)=O)ccc1O 854409117 AICBNAKNDLOIQA-UHFFFAOYSA-N 303.340 -0.737 50 20 DBGD C[C@H](NC(=S)NNC(=O)CSc1n[nH]c(O)n1)C1CC1 855099856 PJLFDUGQIFDUSF-YFKPBYRVSA-N 316.412 -0.104 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cnn(C(F)F)c2)N1 860863688 YZQQPLUVOHPDLW-LURJTMIESA-N 302.241 -0.291 50 20 DBGD CO[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1 862464392 XYTLIQYMCNHKTN-CMPLNLGQSA-N 309.297 -0.061 50 20 DBGD COC(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCCC1 866285110 KQWACSDWKYHDHY-UHFFFAOYSA-N 305.139 -0.170 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)OC[C@H]1CCCCO1 869909235 NUEGILWVXUMZGJ-NWDGAFQWSA-N 318.370 -0.229 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 900997340 AQSPXPDPOKXRTH-JTQLQIEISA-N 302.290 -0.637 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NN(C)C[C@H](C)O 910159073 ZOJXBQNUGGEPFB-GXSJLCMTSA-N 307.416 -0.563 50 20 DBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 936039962 VVKISQODPRASFW-HBNTYKKESA-N 318.395 -0.322 50 20 DBGD O=C(O)Cn1cc(C=NNC(=O)c2n[nH]c3c2CCCC3)nn1 1116304246 GQQZTJMIXNOBAI-UHFFFAOYSA-N 317.309 -0.272 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCOC1=O 1116603240 BKCWXDBEVZBKEX-UHFFFAOYSA-N 322.277 -0.031 50 20 DBGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(C)=O)c1F 1116881305 UBJZEGBZSBYDOL-UHFFFAOYSA-N 315.232 -0.143 50 20 DBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116924453 TVUVSZJOBVRWPA-QMMMGPOBSA-N 316.383 -0.112 50 20 DBGD CCNC(=O)N(C)NC(=O)CCc1nc(O)c2cnn(C)c2n1 1320787072 COZHPEADXSYZBQ-UHFFFAOYSA-N 321.341 -0.306 50 20 DBGD Cn1cc([C@@H](O)C(=O)NNc2ccc(-n3ccnc3)nn2)cn1 1323249237 CGZZQEHONYTNAZ-GFCCVEGCSA-N 314.309 -0.428 50 20 DBGD CN(NC(=O)c1n[nH]cc1I)C(N)=O 1324044083 YEBIJISWZIBWDS-UHFFFAOYSA-N 309.067 -0.330 50 20 DBGD Cc1nnc(CC(=O)NNC(=O)CNC(=O)c2cccs2)o1 1324738052 RPKKVRRAIHTEIU-UHFFFAOYSA-N 323.334 -0.441 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1330262676 ZISYYMOQMHHSEE-BWZBUEFSSA-N 318.317 -0.447 50 20 DBGD CCOCCONC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1578376899 AWHLYPXVHOPCRM-UHFFFAOYSA-N 308.302 -0.144 50 20 DBGD COc1cc(COCC(=O)NNC(=O)C2CCNCC2)ccn1 1579154177 WMGYLEMCKXRRFS-UHFFFAOYSA-N 322.365 -0.246 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)c1=O 1592582552 UUSXMIPREQHRSR-UHFFFAOYSA-N 318.322 -0.221 50 20 DBGD O=C(NNC(=O)C1CCOCC1)c1coc(-c2nn[nH]n2)c1 1593158646 YTKHNPBFJLLKLI-UHFFFAOYSA-N 306.282 -0.353 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(C(=O)O)cn1 1601313530 QMPIWJPWWSLKIT-UHFFFAOYSA-N 306.278 -0.837 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1nc(C(F)(F)F)no1 1604291750 OHXDIBUNHGYIEK-REOHCLBHSA-N 311.176 -0.436 50 20 DBGD C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNc1nc[nH]n1 1609134741 UJRUWRVBSYAOIK-ZETCQYMHSA-N 315.297 -0.105 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1 1610099623 LNNSIXJQQNFPGP-UHFFFAOYSA-N 320.309 -0.025 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1 1841698131 PXDWSNQLDNVXBZ-JTQLQIEISA-N 312.757 -0.174 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 48962141 XDBDCIVMWAQKCL-UHFFFAOYSA-N 300.296 -0.746 50 20 DBGD O=C(NCC1CC1)NNC(=S)NCCCN1CCOCC1 64937176 MZXRAWQOEPHHAG-UHFFFAOYSA-N 315.443 -0.203 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 119932221 YWZPPSQCMIYESD-UHFFFAOYSA-N 321.337 -0.397 50 20 DBGD O=C(COc1ccccc1O)NNS(=O)(=O)N1CCCC1 264569285 HFNGOIZWDGCKCA-UHFFFAOYSA-N 315.351 -0.268 50 20 DBGD Cc1c(C(=O)NNC(=O)CN(C)C)nnn1-c1ccccc1 265042718 INTRVVWVRKDFKZ-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)c1ccc(C)o1 269994889 VXLRFYMJHDDCER-UHFFFAOYSA-N 306.340 -0.185 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@](C)(O)c1ccccc1 272562295 GVGHSDWWIQUKGW-HNNXBMFYSA-N 307.350 -0.044 50 20 DBGD Cc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n1 274162455 IGAISNFMGMMQCH-QMMMGPOBSA-N 315.355 -0.520 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 405014053 ZSCMEKNHAZLLQB-GFCCVEGCSA-N 316.166 -0.047 50 20 DBGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNc2nc[nH]n2)C1 496729723 FJWSQKDKKPXHPD-UHFFFAOYSA-N 312.330 -0.116 50 20 DBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 584912065 KUKPFLUMFKZXPX-ZDUSSCGKSA-N 319.170 -0.113 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)CN1CCCC1 584931579 AGBQZGYUNITGBK-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)CN1CCCC1 584932221 QHGXDJLRFYDCPY-NSHDSACASA-N 308.162 -0.033 50 20 DBGD CN(C)C1CCN(CCNCc2cccc(B(O)O)c2)CC1 585033221 ARTUCPJJCRQYSS-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@@H](CNCc2cccc(B(O)O)c2)O1 585034539 MDEXCEIMPCVRSV-UONOGXRCSA-N 306.171 -0.908 50 20 DBGD Cc1cc(CNCc2ccc(B(O)O)o2)nc(N2CCCC2)n1 585044094 ZRSAOLOLHIJVKH-UHFFFAOYSA-N 316.170 -0.052 50 20 DBGD CCOCC(=O)NNC(=O)NCc1cccc(-c2nn[nH]n2)c1 736608911 NLGRKMUJUOEKMW-UHFFFAOYSA-N 319.325 -0.266 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(=O)O)o1 736670075 HXVQQZRJYVVKJW-LURJTMIESA-N 303.296 -0.634 50 20 DBGD CCCNC(=O)Nc1ccc(CC(=O)NNC(=O)CO)cc1 753444219 GKQUOJHRHCDITO-UHFFFAOYSA-N 308.338 -0.100 50 20 DBGD CC(C)CO[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758027989 BDRIFIXCFFEYDF-DTWKUNHWSA-N 309.388 -0.867 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NOCC(F)(F)F 765734419 YYASFATZMKVTJZ-UHFFFAOYSA-N 324.215 -0.166 50 20 DBGD COC(=O)C[C@@]1(NS(=O)(=O)CBr)CCOC1 766560079 RGAOWZDSIWRMIU-QMMMGPOBSA-N 316.173 -0.020 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCN(C)C2=O)cc1 801106808 HYURYHHFWWMRQK-LLVKDONJSA-N 318.333 -0.441 50 20 DBGD CC(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 801186220 FODUTCQMWDBSHJ-JTQLQIEISA-N 321.333 -0.176 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CCCCC1)N1CCOCC1 845335582 FPVHRNHBBIZALC-UHFFFAOYSA-N 323.357 -0.595 50 20 DBGD CCc1cnc(O)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 854379018 LNTCNZTZHRWZSQ-UHFFFAOYSA-N 307.354 -0.049 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1 858189090 ZXFZBZQDYDCZKQ-VIFPVBQESA-N 319.321 -0.089 50 20 DBGD C[C@@H]1C[C@H](CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858358790 SBBUAUVDWGRTTF-GMTAPVOTSA-N 312.370 -0.199 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)c1cn[nH]c1)C(=O)OC(C)(C)C 862467490 XAVPSKSNLVWGGV-ZDUSSCGKSA-N 312.326 -0.083 50 20 DBGD Cc1csc(C(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 862475998 DSVOUZACWJGVSG-UHFFFAOYSA-N 324.318 -0.762 50 20 DBGD Cc1cccc(OCCC(=O)NNC(=O)CS(C)(=O)=O)c1 863457995 SEOVRLUXKYQXMP-UHFFFAOYSA-N 314.363 -0.044 50 20 DBGD Cc1ccccc1COCC(=O)NNC(=O)CS(C)(=O)=O 863467238 RLEJOQZLIDAOQW-UHFFFAOYSA-N 314.363 -0.296 50 20 DBGD COC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCCCC1 863871191 CSQNRSLXXQKONB-UHFFFAOYSA-N 305.139 -0.028 50 20 DBGD O=C(N=S1(=O)CCOCC1)c1cc(B(O)O)ccc1F 891374200 LZZIEPRZNXMVIL-UHFFFAOYSA-N 301.104 -0.856 50 20 DBGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 912854741 QWPCACNQNYJARL-BXKDBHETSA-N 316.317 -0.248 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 1116181888 LBYDOYDCCIJFEU-VHSXEESVSA-N 300.359 -0.390 50 20 DBGD O=C(NN=C1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1318371179 IGKADYQXIJMSNM-MRVPVSSYSA-N 308.381 -0.898 50 20 DBGD Cc1nn(C)cc1CCC(=O)NNc1ccc(C(N)=O)nn1 1319074893 GMKQXEHWTSVFOF-UHFFFAOYSA-N 303.326 -0.307 50 20 DBGD Cc1nc([C@@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)no1 1323200493 KCUGDFKQMQIWQG-SSDOTTSWSA-N 310.314 -0.608 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1ncncc1F 1327887644 IIJFQFRSIVVAKF-ZETCQYMHSA-N 320.371 -0.021 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCCS(C)(=O)=O 1328143053 MTHVEDLQWVVYSP-UWVGGRQHSA-N 321.399 -0.433 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCCN1C(=O)CCC1=O 1330727797 ATASUZXVXHORDV-UHFFFAOYSA-N 319.321 -0.897 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1CCCS(=O)(=O)C1 1349433814 SCVWBEUAQMPLQA-AXFHLTTASA-N 318.395 -0.226 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]([C@H]2CCNC2)C1 1580818839 RODLERHIHSXZCR-UONOGXRCSA-N 302.183 -0.172 50 20 DBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)CNC(=O)c1ccco1 1589002198 SIUWVUATRUJBAL-ZETCQYMHSA-N 312.282 -0.797 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)nn1 1600932159 LKZGWVSZFFOIDY-LTMDPNIMSA-N 308.298 -0.988 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNc2ccc(F)cn2)C1=O 1606252846 BRLQIZPTJPTYMG-SECBINFHSA-N 310.285 -0.013 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)s1 1610629975 HPVNTMNDMPAYQG-UHFFFAOYSA-N 304.309 -0.803 50 20 DBGD C[C@H]1CN(C)C[C@H](C(=O)NN=Cc2cc(C(=O)O)nn2C)O1 1776092554 RTSJPKDLXWNEPV-GZMMTYOYSA-N 309.326 -0.713 50 20 DBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1nc[nH]c2ncnc1-2 1776104997 KQCRMVZXGBFBIG-UHFFFAOYSA-N 314.265 -0.500 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CCC(=O)N1CCOCC1 8302013 MLWQLSKOVCCUEM-UHFFFAOYSA-N 316.427 -0.081 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1=O 266933816 OAQDKGRFAMINGA-SNVBAGLBSA-N 315.333 -0.498 50 20 DBGD COc1cncc(C(=O)NNC(=S)NCCSC)n1 276875759 RQLVCJHWNFPCIV-UHFFFAOYSA-N 301.397 -0.043 50 20 DBGD CC[C@@](C)(OC)C(=O)NNC(=O)CNC(=O)c1cccnc1 281527386 QVTQCKSDVGIJGY-CQSZACIVSA-N 308.338 -0.226 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)[C@H]1CCCCO1 295631291 SMHDQUZIZJREBB-SNVBAGLBSA-N 319.321 -0.788 50 20 DBGD COc1ccnc(NNC(=O)NCCCN2CCOCC2)n1 298609171 DZUDWFSIMFDEBE-UHFFFAOYSA-N 310.358 -0.166 50 20 DBGD CC(C)CC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298817934 YRYJDNSUDUTSGV-DUBDDPSESA-N 319.361 -0.013 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 363987501 RVTUEGUHKWEEOL-SECBINFHSA-N 316.358 -0.075 50 20 DBGD O=C(NNc1cnccn1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 365150820 OBEWIRFQHKUWNJ-NKWVEPMBSA-N 303.244 0.377 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNc1ccccc1S(N)(=O)=O 496996863 IIDDYEUMAFKWNO-ZETCQYMHSA-N 316.339 -0.478 50 20 DBGD CN(C)c1ncc(CNC(=O)c2ccc(B(O)O)cc2)n1C 584946147 YJDIXIAUNLCIKP-UHFFFAOYSA-N 302.143 -0.904 50 20 DBGD C[C@H]1CN(CCNC(=O)c2ccc(B(O)O)cc2)[C@H](C)CO1 585005659 DCOIHNSXHKHSLE-NEPJUHHUSA-N 306.171 -0.795 50 20 DBGD CC(C)(CNC(=O)c1ccc(B(O)O)cc1)[C@]1(O)CCCOC1 585006342 UFTJYUQWBGCAQZ-INIZCTEOSA-N 321.182 -0.336 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CC[C@@H](B(O)O)C1 585075593 SOBDWCZOFTVUBW-MXWKQRLJSA-N 308.143 -0.763 50 20 DBGD CCOCC(=O)NNC(=O)NCCc1nnc2n1CCCCC2 731280125 HXDWQZGVUWVLPP-UHFFFAOYSA-N 324.385 -0.086 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(-n2cnnn2)cc1 739454090 PLJBIWUPOMUACI-ZJUUUORDSA-N 316.277 -0.856 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1cnn(C)c1 740850936 HFGVFRPZYYJJND-UHFFFAOYSA-N 309.370 -0.195 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CNC(C)(C)CC(N)=O)c1 755292262 AMCQYZYDSQIMPW-UHFFFAOYSA-N 306.366 0.000 50 20 DBGD Cc1noc(C)c1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 756287220 PRPXDKFTEAZNLU-MRVPVSSYSA-N 316.339 -0.121 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1ccccc1=O 771950609 ZLTLBYMEDCHCKW-LLVKDONJSA-N 323.349 -0.027 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(N(C)C)nc2)CC1 773671761 BFWOPWAXRCKXAJ-UHFFFAOYSA-N 306.370 -0.251 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(F)cc(C(=O)OC)c1 782251079 GFKNHKQMXJZZOU-UHFFFAOYSA-N 305.287 -0.265 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)N1C 786177762 LBCRCEZNFJDILM-NXEZZACHSA-N 313.354 -0.268 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)COc2ccccc2F)n1 787437241 PRTGYTCFKGAWNZ-UHFFFAOYSA-N 323.288 -0.741 50 20 DBGD CNC(=O)NNC(=O)Cn1c(S)nc2ccccc2c1=O 799577618 JPHRLUUXGWEFTJ-UHFFFAOYSA-N 307.335 -0.355 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](CO)[C@@H](O)C1 808750687 NDMDZWOGEIKNEE-TUAOUCFPSA-N 301.387 -0.757 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(N)=O 810828925 RRPSATSQSROPHH-UHFFFAOYSA-N 320.758 -0.340 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1cc(-c2nn[nH]n2)cs1 823273142 FUASNMGISRCDIC-SSDOTTSWSA-N 324.322 -0.895 50 20 DBGD COCCNCCNC(=O)NNC(=O)Cc1ccccc1OC 841967941 IRHGTBMSTKLOIN-UHFFFAOYSA-N 324.381 -0.196 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNC(=O)C2CCCC2)C1 845418337 MREOUAXWLCFBII-JTQLQIEISA-N 318.399 -0.459 50 20 DBGD C[C@]1(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCS(=O)(=O)C1 845443964 XXOPZFLHBFLKLU-SVDPJWKOSA-N 303.384 -0.313 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 856759130 XKGHCGIJEOFPMK-SRVKXCTJSA-N 317.386 -0.706 50 20 DBGD CN(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862451915 BIRNOEPSPDBYHF-WCQYABFASA-N 304.350 -0.285 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccccc2Cl)N1 863414470 XMXSSXCELIZPRI-QMMMGPOBSA-N 317.754 -0.072 50 20 DBGD C[C@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)CS(C)(=O)=O 863467064 MAWXLYQMZNCWAT-SNVBAGLBSA-N 323.374 -0.071 50 20 DBGD COCCOCC(=O)NNC(=O)CN(C)[C@@H]1CCSC1 869908531 PKVFLZYZZUXSPG-SNVBAGLBSA-N 305.400 -0.766 50 20 DBGD C#CCSCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 895511387 QEULGJJQFWSQJW-RYUDHWBXSA-N 313.423 -0.001 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCOC[C@@H]1CCCO1 915829510 ZMQIFHBLUBQFRV-JTQLQIEISA-N 301.343 -0.756 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)ccc1F 920404670 IILIUCXHBRLWDZ-UHFFFAOYSA-N 301.299 -0.356 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(O)(CN(C)C)CC1 931481659 QFYFTUYWTJVPPK-LLVKDONJSA-N 300.403 -0.679 50 20 DBGD Cn1ccc2cccc(NC(=O)C(=O)NNC(=O)CCO)c21 1116751638 QVSSTYWJGSSPBU-UHFFFAOYSA-N 304.306 -0.353 50 20 DBGD C#CCCCC(=O)NNC(=O)CCC(=O)N1CCC(O)CC1 1262345634 SJFHARURVRIPLM-UHFFFAOYSA-N 309.366 -0.299 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-n2cnnn2)cc1 1320235119 PTNBFPJYTSKHOF-UHFFFAOYSA-N 315.293 -0.842 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN(c2cccnn2)CC1 1324594794 XSKQASXBCNQJFP-UHFFFAOYSA-N 322.369 -0.188 50 20 DBGD COC(=O)CC1CC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1325869523 WXLMJHDDHKKTIA-GKAPJAKFSA-N 302.352 -0.134 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1326364035 NSUURSWUMZNGKJ-LPEHRKFASA-N 307.354 -0.508 50 20 DBGD C[C@H](CN)CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1328985166 NZTPDHBZNODQCG-FYBVGQRMSA-N 306.204 -0.013 50 20 DBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1344365660 DUKGKZDVEHUSIW-IVZWLZJFSA-N 316.379 -0.426 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 1345734035 VIEFAQFODRGZSK-OUAUKWLOSA-N 312.370 -0.247 50 20 DBGD C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNC(=O)CN3CCCC3=O)CN2C1 1520380383 KLWXZROQFNGWEI-JHJVBQTASA-N 322.409 -0.123 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)[C@@H](C)OCCOC)C(=O)O 1589538180 DMKPDQMEMZJOJN-BDAKNGLRSA-N 305.331 -0.521 50 20 DBGD CN1CCN(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)CC1 1591189992 DCZXWQUOWGIEMY-UHFFFAOYSA-N 304.314 -0.249 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)[C@@H]1C[C@H](C(=O)O)C1(C)C 1593101589 HRTWHBYMSZBKKH-DSYKOEDSSA-N 301.299 -0.463 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1(O)CCSCC1 1593164853 PHHPKZPWVGEVIQ-UHFFFAOYSA-N 321.366 -0.037 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCOC[C@@H]1CC(=O)O 1603300893 CIAVPNXMORMRAC-VIFPVBQESA-N 301.343 -0.645 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCCC(=O)O)C[C@@H](C)O1 1603461476 POBWBGXIJVQTCG-PHIMTYICSA-N 315.370 -0.112 50 20 DBGD O=C(NNC(=O)C(=O)O)NC1CCN(CC(F)(F)F)CC1 1610699189 LFFUWOJABRIUPB-UHFFFAOYSA-N 312.248 -0.572 50 20 DBGD NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1786798419 RRPYLQKCSCMNEN-CIUDSAMLSA-N 324.208 -0.272 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCn2cccn2)n1 114971936 CORMFCLQNVQTHA-UHFFFAOYSA-N 305.342 -0.273 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1C 273498662 OVXQKSXGRUORPM-MRVPVSSYSA-N 302.356 -0.968 50 20 DBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 286423485 KQUALJNMHWMAJH-UHFFFAOYSA-N 323.309 -0.837 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](c2cncn2C)N(C)C)O1 293999156 UXRCCVWLUTWFBD-DLOVCJGASA-N 309.370 -0.262 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)c2cc(C)[nH]n2)cn1 492690207 URLSQAGULRCIDJ-ARJAWSKDSA-N 302.294 -0.009 50 20 DBGD C[C@@H](Sc1nncn1C)C(=O)Nc1cccc(B(O)O)c1 584911725 XVQSKIOLZDOOSE-MRVPVSSYSA-N 306.156 -0.386 50 20 DBGD NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(B(O)O)c1 584937661 WYRLSGYRLMSVPN-HONMWMINSA-N 316.166 -0.375 50 20 DBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584968099 HQRPFDJXFKORFG-BXKDBHETSA-N 308.118 -0.850 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@]2(CCOC2)O1 584982746 IBEMBLMLOLIJJZ-NHYWBVRUSA-N 305.139 -0.614 50 20 DBGD O=C(C1CC1)N1CCC(NCc2ccc(B(O)O)cc2F)CC1 585013283 XNAROTYUIRAGKZ-UHFFFAOYSA-N 320.173 -0.004 50 20 DBGD Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)cc12 585058285 WQUJVSNWBHTOAL-SECBINFHSA-N 324.171 -0.486 50 20 DBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)C(=O)N1CCCC1 748246633 FACQDLVUVHQGQI-UHFFFAOYSA-N 309.282 -0.683 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)CNC(=O)c2ccncc2)n1 753464972 VRTVSHXOEVVIQZ-UHFFFAOYSA-N 321.728 -0.020 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 754973211 FOOGFCHWMVCWGW-CQSZACIVSA-N 312.322 -0.138 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCCO1 755426179 RAJORAVLXPVSGU-SECBINFHSA-N 302.352 -0.347 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@@H]3CCCO3)nc21 769819464 RYZLSHBWRCNDND-ZETCQYMHSA-N 307.314 -0.126 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)NCc2nnn(C)n2)c1 787436638 FRDUSHLMAJMPGB-UHFFFAOYSA-N 318.341 -0.580 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1nc(C)c(C)s1 789735398 XMWIKZZCTVLFCQ-UHFFFAOYSA-N 300.340 -0.118 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801105275 CIWOVYSJRICMOU-UHFFFAOYSA-N 320.349 -0.003 50 20 DBGD C[C@@H]1CSC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 807475812 OOQINKKJORJGEZ-RKDXNWHRSA-N 300.384 -0.309 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 821783043 BWNIALVZFRAFBB-RNFRBKRXSA-N 310.276 -0.007 50 20 DBGD O=C1C[C@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)N1 825421936 ILLDQCZKJWHOIK-LLVKDONJSA-N 324.362 -0.541 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](C(=O)N(C)C)C1 827260674 VESNDLAIKZBLNR-AXFHLTTASA-N 312.370 -0.438 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCn2cnnc2[C@@H]1C 827276280 ZLKLGXBHHDHDEZ-GUBZILKMSA-N 308.342 -0.180 50 20 DBGD O=C(NCCN1CCCC1=O)NNC(=O)c1ccccc1O 845475664 FLVLKUFKUJQRRQ-UHFFFAOYSA-N 306.322 -0.041 50 20 DBGD Cc1sc(NC(=O)C(=O)NNC(=O)CO)nc1C(C)C 850411810 LDVDUVOPOOXOFX-UHFFFAOYSA-N 300.340 -0.347 50 20 DBGD CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)c1cn[nH]c1 858485023 IIHCRWGSBOTOHT-SECBINFHSA-N 310.358 -0.094 50 20 DBGD Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 861946093 KOWNAIHVAJTJAU-JTQLQIEISA-N 322.296 -0.501 50 20 DBGD Cc1cc2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c(C)n2n1 862449220 CUPDWYHXPCHPCY-JTQLQIEISA-N 316.321 -0.614 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc([N+](=O)[O-])c1 862452188 CUZDLWFLTLPKMB-SNVBAGLBSA-N 306.278 -0.057 50 20 DBGD C[C@H](CCC(=O)NNC(=O)C1CC1)CC(=O)NNC(=O)C1CC1 1318292441 RCHXVQJECZKUEW-SECBINFHSA-N 324.381 -0.092 50 20 DBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)Cc2ccncc2)C1 1318899372 LPERLXRISKBGJS-ZDUSSCGKSA-N 320.397 -0.800 50 20 DBGD C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cnn(C)c1 1319095333 QWVYTJALJQQBCV-KOLCDFICSA-N 311.342 -0.442 50 20 DBGD COCCn1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n1 1319812476 MVMVEVADGFMOOE-UHFFFAOYSA-N 311.342 -0.339 50 20 DBGD O=C(NNC(=O)[C@@H]1CCn2cncc2C1)C(=O)N1CCCC1 1320057040 HIBDCWJDTUKUKB-SNVBAGLBSA-N 305.338 -0.785 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1ncnn1C 1320680665 MIAMJZIOBQONIP-BDAKNGLRSA-N 314.346 -0.742 50 20 DBGD Cc1cccc(CCNC(=O)NNC(=O)C(=O)NC2CC2)n1 1321480514 SESNAUJKPRNWQW-UHFFFAOYSA-N 305.338 -0.458 50 20 DBGD COCCn1nc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1=O 1326384221 WSIYEZYDTPIJSJ-NXEZZACHSA-N 324.337 -0.924 50 20 DBGD CN(C)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CCOCC1 1328783575 OKECKOVOERRLGH-UHFFFAOYSA-N 310.358 -0.536 50 20 DBGD CC1(C)NC(=O)N(CCCC(=O)N2CC[C@H](B(O)O)C2)C1=O 1329216527 XRHWAFGMBTVESE-VIFPVBQESA-N 311.147 -0.828 50 20 DBGD O=C(CCn1cnc2sccc2c1=O)N1CC[C@H](B(O)O)C1 1329294003 VGFORZWUOXBIMP-VIFPVBQESA-N 321.167 -0.077 50 20 DBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@@H](B(O)O)C1 1331826625 KUBOEBNKICQSHK-MRVPVSSYSA-N 316.144 -0.767 50 20 DBGD C[C@@H](NC(=S)NNC(=O)c1nccnc1C(N)=O)C1CC1 1334457472 CQDJSXNBLUSNCT-ZCFIWIBFSA-N 308.367 -0.517 50 20 DBGD Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1334930956 QGVKSUNIWXQVSA-NXEZZACHSA-N 320.353 -0.771 50 20 DBGD CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C2 1334933202 GLXPITKOPXVFAY-DCAQKATOSA-N 309.370 -0.779 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2nc(O)n(C)c2c1 1335395212 LMIHMFGUUIFHFK-UHFFFAOYSA-N 319.321 -0.436 50 20 DBGD O=C(NNC(=O)c1cnc2n1CCCC2)C(=O)N1CCCC1 1338915040 GKWNXEXHXNUOSJ-UHFFFAOYSA-N 305.338 -0.397 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNc1nc(-c2ccncc2)no1 1519083324 FJTNTWDDSVHBAR-UHFFFAOYSA-N 316.277 -0.276 50 20 DBGD CC(C)[C@H](N)C(=O)NCCC(=O)NNC(=O)Cc1ccccn1 1575442386 SJVYDVPDTHMBBM-AWEZNQCLSA-N 321.381 -0.739 50 20 DBGD C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)[C@@H]2CCN2)NC1=O 1576902503 ABCAUULQKRKKDC-XVKPBYJWSA-N 304.306 -0.471 50 20 DBGD C[C@@H]1CNC[C@H]1CCNC(=O)NNC(=O)c1ccc(=O)n(C)c1 1579452670 VVHAOEZHRHIKNB-GHMZBOCLSA-N 321.381 -0.425 50 20 DBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)c1ncccn1 1582146811 KZLFAYNPHZUWQR-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1589724478 PHFVBWKERJRTOM-UHFFFAOYSA-N 315.315 -0.639 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1593456442 GOTKHLGLNHNYFX-BDAKNGLRSA-N 319.358 -0.302 50 20 DBGD COCCOCC(=O)NNC(=O)[C@]1(C(=O)O)CC=CCC1 1594018267 POBXIPKBHWRPRJ-ZDUSSCGKSA-N 300.311 -0.392 50 20 DBGD O=C(N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)c1cc(B(O)O)ccc1F 1601578067 GJMZCCIGMXYBJZ-PPJAJKPTSA-N 321.113 -0.265 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccsc1-c1nn[nH]n1 1604381320 YNJYSBYOLMXXDT-UHFFFAOYSA-N 318.340 -0.132 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1O 1604434547 LZQNNAIUYWHNPX-QMMMGPOBSA-N 302.670 -0.094 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)[C@@H]1CCCCO1 1605814510 DJFHAFSZMAICHW-VIFPVBQESA-N 300.311 -0.416 50 20 DBGD O=C(NNC(=O)C1CSC1)c1ccc(-c2nn[nH]n2)cc1 1606851931 SGTMUMXZORBKCM-UHFFFAOYSA-N 304.335 -0.009 50 20 DBGD O=C1CC(C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)=NN1 1844223242 LPBWQZYFLLAEIW-VIFPVBQESA-N 316.720 -0.400 50 20 DBGD O=C(NNC(=O)c1cc(O)nc2ccccc12)C(=O)NC1CC1 9889762 KFTPRKVHIGVGBX-UHFFFAOYSA-N 314.301 -0.020 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)c2nc(=O)[nH][nH]2)c(C)c1 102891214 UZNONKBNDPDHES-UHFFFAOYSA-N 304.310 -0.412 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2nc3ccccc3c(=O)[nH]2)C1 137184291 XHOLNFALSPJNFG-LLVKDONJSA-N 303.322 -0.303 50 20 DBGD CNC(=O)NNC(=O)[C@@H](Cc1ccccc1)n1nnnc1C 265434431 SVTKNMOXJQSBFY-LLVKDONJSA-N 303.326 -0.274 50 20 DBGD Cc1cc(C)nc(NNC(=O)C(C)(C)NS(C)(=O)=O)n1 266052947 SGPSDCNKTPHAJK-UHFFFAOYSA-N 301.372 -0.136 50 20 DBGD COCC(C)(C)C(=O)NNC(=O)CNC(=O)c1cccnc1 270456684 QATQFLWAJYNJBK-UHFFFAOYSA-N 308.338 -0.369 50 20 DBGD CC(C)(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 270631251 LOGJYNFZLMCZHT-UHFFFAOYSA-N 300.340 -0.464 50 20 DBGD CCc1ccnc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 273364792 DBVOAIWMOBKDNO-MRVPVSSYSA-N 314.367 -0.657 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 276674301 VEZGLMQNCBAYHP-NEPJUHHUSA-N 320.349 -0.413 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2ncnc3nc[nH]c23)O1 290598686 WFUNDGRHBGHNEY-NKWVEPMBSA-N 306.282 -0.483 50 20 DBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584959159 YUUWEJWQGLUJBR-LKFCYVNXSA-N 306.146 -0.282 50 20 DBGD CSCC[C@@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584963843 ZIGFSPSLTPUGCQ-VIFPVBQESA-N 301.148 -0.651 50 20 DBGD O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(B(O)O)c1 584970914 VADMEDCXJDRUNE-ZFWWWQNUSA-N 305.139 -0.566 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN1CCCS1(=O)=O)C1CC1 751620169 RKIAHVVXEFKKPQ-QMMMGPOBSA-N 320.440 -0.684 50 20 DBGD COC(=O)CCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 756880708 BAXBJJZHRTVISN-SECBINFHSA-N 305.356 -0.198 50 20 DBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 757771680 JOTIYSKTERHOTF-JOYOIKCWSA-N 306.370 -0.153 50 20 DBGD O=C(N=c1cc[nH]cc1[N+](=O)[O-])NNC(=O)c1cnccn1 757805084 BBCRIMDOPUPYEO-UHFFFAOYSA-N 303.238 -0.332 50 20 DBGD O=C(CNC(=O)c1cccnc1)NN=C1CCCS(=O)(=O)C1 763191866 BUWQPYXYTBTGRN-UHFFFAOYSA-N 324.362 -0.508 50 20 DBGD CC1(OCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 772973761 WYVTXOJZZFTWFW-VIFPVBQESA-N 304.368 -0.472 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 780627858 JRPAAGDERLJRHS-UHFFFAOYSA-N 314.309 -0.083 50 20 DBGD C[C@@H](C(=O)NNC(=O)C1CC1)[C@@H](C)C(=O)NNC(=O)C1CC1 790112531 YQBZTBADYBIUBJ-HTQZYQBOSA-N 310.354 -0.627 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2C)cc1 801111977 XSUIOEAGVIOOPX-LLVKDONJSA-N 318.333 -0.298 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)N=c1cc[nH]cc1 802028298 RLMDIQCWVONSJM-JTQLQIEISA-N 308.342 -0.117 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1ccc(-n2ccnc2)nn1 804953519 SUJGAQAUIZQFOE-UHFFFAOYSA-N 319.325 -0.790 50 20 DBGD N#CC(C#N)=CNNC(=O)COc1ccccc1-c1nn[nH]n1 822795711 GEHPCVUXCBPSKE-UHFFFAOYSA-N 310.277 -0.203 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1C 853390348 USPUGPPTEGRFEL-YPMHNXCESA-N 320.397 -0.201 50 20 DBGD CCN1CCOC[C@H]1C(=O)NN(C)C(=S)NCCCOC 854283253 NVRRUKDOYNICGF-NSHDSACASA-N 318.443 -0.419 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)c1cncc(NC(C)=O)c1 857158256 NCVRQZGLBWZBTF-NSHDSACASA-N 310.310 -0.538 50 20 DBGD COc1ccc(F)c(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858628608 VRZXUAOVSNENDN-LLVKDONJSA-N 324.312 -0.057 50 20 DBGD O=C(NNCC(F)(F)C(F)(F)F)C1(n2cnnn2)CC1 863102722 UIWXJCRMIRIATD-UHFFFAOYSA-N 300.191 -0.019 50 20 DBGD CC(C)(C)n1cc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 863460403 VRBMKMQSSKEWOS-UHFFFAOYSA-N 302.356 -0.556 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCCN(C)C2=O)n1 873803650 OJMHLPWIKMOEBR-GFCCVEGCSA-N 321.381 -0.094 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)C1CCOCC1 883297852 AYIBFFZVQVBXOY-UHFFFAOYSA-N 302.375 -0.678 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)CN1CCCC1 918221975 AGEUIJHQWYFUKP-JTQLQIEISA-N 311.386 -0.673 50 20 DBGD CCOC(=O)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 920212902 ZCQSLFRFZPMNRK-UHFFFAOYSA-N 318.293 -0.624 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1csc(N)n1 920385108 UZEADLOWDLTRIW-SSDOTTSWSA-N 317.396 -0.064 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C 920862157 OUQVRTJXMRQTJT-SECBINFHSA-N 302.375 -0.096 50 20 DBGD Cc1ccc(C(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1115870886 IVNFMPQXGWSJOA-LLVKDONJSA-N 324.358 -0.240 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1nnnn1C 1121821762 HCUAOMVSSGSETA-QMMMGPOBSA-N 304.314 -0.761 50 20 DBGD COCCOCC(=O)NNC(=O)c1nn(C)c(C)c1Cl 1261880919 RGAREQGRJWSPFQ-UHFFFAOYSA-N 304.734 -0.194 50 20 DBGD CONC(=O)CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1262294781 DYSCLTQZLPHLOR-LDWIPMOCSA-N 322.159 -0.930 50 20 DBGD CN(C)C(=O)NNC(=O)c1n[nH]cc1I 1321256168 FFCOMMSRXQUAJI-UHFFFAOYSA-N 323.094 -0.070 50 20 DBGD Cc1nnsc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1324087568 JAEVGYJJMXWIIJ-SNVBAGLBSA-N 319.412 -0.272 50 20 DBGD Cn1nncc1NNC(=O)c1ccc(N2CCOCC2)nc1 1329575227 SMRYLJICAKCGPL-UHFFFAOYSA-N 303.326 -0.196 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)C2CCOCC2)cn1 1334330156 NTYBIZUHWLQUSP-UHFFFAOYSA-N 309.370 -0.368 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1347932123 UKOPELGZMDAGAR-CPCISQLKSA-N 320.187 -0.520 50 20 DBGD O=C(NNC(=O)c1cn([C@@H]2CCCNCC2)nn1)NC1CC1 1580737837 ZBFUPDVPVLYWRR-SNVBAGLBSA-N 307.358 -0.301 50 20 DBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1588808618 VLCPAEIJFMRJGS-ZCFIWIBFSA-N 306.282 -0.578 50 20 DBGD CN(CC(Cl)Cl)C(=O)Cn1cnc(-c2nn[nH]n2)n1 1591043714 BICQBSMMCBAYCP-UHFFFAOYSA-N 305.129 -0.280 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)NC2CCN(CC(=O)O)CC2)cn1 1594537828 LYWZAZQCDFYVEC-WUXMJOGZSA-N 317.349 -0.008 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(C(=O)O)nc1 1594646258 XLTYULBLSMHSAX-WPRPVWTQSA-N 307.306 -0.105 50 20 DBGD O=C(O)C(=O)NN=Cc1c(N2CCOCC2)nc2ccccn12 1601637677 HNTODHIVZYGDGX-UHFFFAOYSA-N 317.305 -0.294 50 20 DBGD O=C(O)c1ccc(NNC(=O)c2cc(B(O)O)ccc2F)nc1 1602383588 SDNOLHGLEWLJRF-UHFFFAOYSA-N 319.057 -0.644 50 20 DBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)C2CCOCC2)CO1 1606111764 NQDMTINGCBDDGV-QWRGUYRKSA-N 314.338 -0.170 50 20 DBGD O=C(NC[C@H]1[C@@H](C(=O)O)C1(F)F)c1cc(B(O)O)ccc1F 1608461879 NRGCPRQEBWETQP-CBAPKCEASA-N 317.028 -0.799 50 20 DBGD CN1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847568001 JHEDRJHDPOSMAQ-SDDRHHMPSA-N 315.801 -0.651 50 20 DBGD NC(=O)c1ccc(OCC(=O)NNC(=O)NCC2CC2)cc1 139281186 XRCOJRPQSJSAPS-UHFFFAOYSA-N 306.322 -0.095 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1=O 172403607 IZFWMLWPHODTFL-LLVKDONJSA-N 308.313 -0.071 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnn(CCOC)c1 269578996 AFXBKHRORPLFLB-SECBINFHSA-N 304.372 -0.115 50 20 DBGD O=C(NNS(=O)(=O)c1cncc(Cl)c1)N1CCOCC1 271052576 QPMTUMDQPZYTKA-UHFFFAOYSA-N 320.758 -0.030 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2ccc(OC)cn2)nn1 275520915 JEPDCRNJFBLVKK-UHFFFAOYSA-N 306.282 -0.388 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CS2 278043048 WDLKRECCOYZXFW-UHFFFAOYSA-N 310.335 -0.342 50 20 DBGD CC(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 298651913 ZOFSCCMCVVFMIZ-UHFFFAOYSA-N 306.322 -0.475 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 366845917 FBPBFBOFZSARDS-AXFHLTTASA-N 322.365 -0.447 50 20 DBGD CC(C)(C)N1C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC1=O 584956295 ZYULOAOBOXEADZ-LBPRGKRZSA-N 304.155 -0.504 50 20 DBGD O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(B(O)O)cc1 584966331 XILXGJJFKOMPMU-AWEZNQCLSA-N 319.166 -0.176 50 20 DBGD COCCO[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584976187 HRVPOQWSFSJATG-LLVKDONJSA-N 311.118 -0.617 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@]12CCNC2=O 584995990 UHYPLHZQYJHJEO-CQSZACIVSA-N 306.102 -1.000 50 20 DBGD CCOc1ccccc1C(=O)NCC(=O)N1CC[C@H](B(O)O)C1 585065804 KLIZEXOFTLBAQS-NSHDSACASA-N 320.154 -0.110 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(C(=O)NC)CCC1 740852639 GSFMUDHQVTYNKP-UHFFFAOYSA-N 312.370 -0.645 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1ccccc1[N+](=O)[O-])C(N)=O 746093015 JVEYGDTYPPQWFX-VIFPVBQESA-N 309.282 -0.582 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N(C)C 750607261 UBGHITNLETUHRK-VIFPVBQESA-N 317.349 -0.355 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1ccsc1 758038436 FJOCSQRAZLAEOP-HTQZYQBOSA-N 319.408 -0.063 50 20 DBGD O=C(Cn1cc(CO)nn1)NNC(=O)c1cccc(Cl)c1 761784028 NTLMCEJRRHJFLN-UHFFFAOYSA-N 309.713 -0.115 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCc2cccnc21)C(=O)NC1CC1 767463911 WKSQUBBOWRFRIH-LLVKDONJSA-N 302.334 -0.073 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)CCc2ccccc2O)C1=O 776141931 UWGGNPBMQBASOV-NSHDSACASA-N 305.334 -0.050 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(C#N)c(Cl)c1 785086872 UMWUATHZIPVRRO-UHFFFAOYSA-N 323.740 -0.141 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)CC(=O)NC(C)C)n1 794090471 TWPCXSGXPQUVQF-UHFFFAOYSA-N 321.381 -0.393 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC(=O)N2CCCC[C@@H]12 799478801 OTGXRYDLHJUJGU-SCZZXKLOSA-N 316.383 -0.819 50 20 DBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)N=c1cc[nH]cc1 802025450 HJNXPIHHCIXJLO-UHFFFAOYSA-N 305.254 -0.388 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NC[C@H](C)O)cc(-c2nn[nH]n2)n1C 826235138 CMSHXLSXYLZGSP-UMWYPWBCSA-N 315.337 -0.082 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1 846044984 RUOGYYPHFROACD-UHFFFAOYSA-N 318.286 -0.002 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](N2CCOCC2)C1 846942090 YYVMOYYIFBYDGX-STQMWFEESA-N 312.414 -0.271 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccn(CCN(C)C)n1 848233790 BJIKHORFOAVFAH-WDEREUQCSA-N 309.370 -0.369 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n[nH]1 854180350 KZPJSLQYSCKNEJ-NSHDSACASA-N 317.305 -0.357 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)OCC(F)(F)F 856025223 MPVXHPJTWKACKM-UHFFFAOYSA-N 307.250 -0.755 50 20 DBGD C[C@]1(CNC(=O)C(=O)NCCC(=O)O)C[C@H]1Br 857101625 ZSENMFRCOSTRDV-LHLIQPBNSA-N 307.144 -0.133 50 20 DBGD COC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 861193104 JCIAEEAPQDGIBK-SSDOTTSWSA-N 321.293 -0.701 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2nn(C)cc2Cl)CC1 861571112 VEIXBBKEERSLLV-UHFFFAOYSA-N 300.750 -0.325 50 20 DBGD COC(=O)[C@@]1(C)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 863876046 MLPTXHIBEBOEJZ-AWEZNQCLSA-N 309.102 -0.469 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)Cn1nc(C)cc1C 919683342 YMUQRHSFQWQFFF-UHFFFAOYSA-N 302.356 -0.918 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 920832502 VTEOYKFOVFEYOH-UHFFFAOYSA-N 316.339 -0.694 50 20 DBGD O=C1CC[C@H](C(=O)NN=Cc2cnc(N3CCCC3)nc2)N1 1118889173 DOQMZVWUHHUQCP-LLVKDONJSA-N 302.338 -0.195 50 20 DBGD CN1CCC(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1327651021 ZTIUDJVQJPYYHD-LLVKDONJSA-N 317.411 -0.700 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CNCCO1 1576516609 REGZSDAJLIMLLT-CYBMUJFWSA-N 311.317 -0.457 50 20 DBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)[C@@H]1CCN1 1579889360 MNEQSRUWJWZRPG-VIFPVBQESA-N 303.326 -0.963 50 20 DBGD O=C(NNC(=O)C1(c2ccc3c(c2)OCO3)CC1)[C@H]1CCN1 1580732726 HQEGJPYNNYXKNN-SNVBAGLBSA-N 303.318 -0.044 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)Cn1cc(C(=O)O)nn1 1589832309 WYULXWHDHDLSDN-UHFFFAOYSA-N 300.344 -0.730 50 20 DBGD Cc1cc(=NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)cc[nH]1 1594325395 VOONNAGLQZBCJK-LLVKDONJSA-N 306.322 -0.422 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594688043 CVFBXOORCPDDGT-NSHDSACASA-N 321.289 -0.168 50 20 DBGD CO[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C(=O)O)C1 1599121919 YJVXBGSUURPWOM-RYUDHWBXSA-N 307.111 -0.929 50 20 DBGD O=C(O)c1cc2n(n1)CCC[C@@H]2NCc1ccc(B(O)O)cc1 1602309306 UILKRRBVOIZRQK-LBPRGKRZSA-N 315.138 -0.114 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc(C(=O)O)n2)N1 1602638194 MIPBBHIBCNZLBM-LURJTMIESA-N 307.266 -0.789 50 20 DBGD Nc1cnnc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1Cl 1609513057 JDCCEYGJZFFZGM-UHFFFAOYSA-N 320.704 -0.023 50 20 DBGD C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796371239 TWZXYCBMKCUINE-CIQUZCHMSA-N 308.737 -0.509 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 49949898 JTTIQGWGRNFMOG-XVKPBYJWSA-N 308.294 -0.969 50 20 DBGD Cc1ccoc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 126049784 BGVJLHPZYAASHZ-QMMMGPOBSA-N 301.324 -0.281 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 135224539 YUYPMTJUHNSWGO-UHFFFAOYSA-N 312.757 -0.335 50 20 DBGD CC[C@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)N(C)C 151306532 XPYQQDLBIRWKMA-JHJVBQTASA-N 314.430 -0.027 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CN(C)CCO2)c1 266794078 PXBZFMOKOOENKS-ZDUSSCGKSA-N 307.350 -0.148 50 20 DBGD CC[C@H]1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)O1 268706079 UEHUQBHMMFYNQH-RYUDHWBXSA-N 320.349 -0.084 50 20 DBGD COCCC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 269741671 ZDSFPHITDOIMPB-UHFFFAOYSA-N 320.349 -0.225 50 20 DBGD CN1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494642578 XYAJHNFCHZITJJ-SECBINFHSA-N 300.359 -0.247 50 20 DBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1n[nH]c(C)n1 584952489 OAEMNLXVGFMDTB-LLVKDONJSA-N 306.106 -0.187 50 20 DBGD O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(B(O)O)cc1 584999776 YICHGZRRWSRNFI-STQMWFEESA-N 302.139 -0.750 50 20 DBGD COCCOc1ccc(CNCc2ccc(B(O)O)o2)cn1 585015997 QBRQQRJZEDKWKZ-UHFFFAOYSA-N 306.127 -0.331 50 20 DBGD C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CBr 711780953 SNZBBONFDHFOFO-RITPCOANSA-N 306.203 -0.309 50 20 DBGD O=C(NNC(=S)NCC1CCC1)[C@H]1CCS(=O)(=O)C1 727272005 JNFANDACAIUOQY-VIFPVBQESA-N 305.425 -0.284 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1cnn(C)c1 735446136 YALIGLKVCMVXLK-UHFFFAOYSA-N 302.356 -0.748 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2cccc(C(=O)O)c2)cn1 735460182 RNHCFCZIVDQQFM-UHFFFAOYSA-N 324.318 -0.258 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1ccncc1 738136189 HESMDVXCOAPYLD-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD CNC(=O)CCN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 744396698 PVLOOLPQLAORSE-UHFFFAOYSA-N 317.349 -0.613 50 20 DBGD CS(=O)(=O)c1nccn1CC(=O)NNC(=O)c1ccccc1 746140389 YLKKLJYNNHRQDM-UHFFFAOYSA-N 322.346 -0.252 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)NCC1CC1 746167692 WKEAKVJVTBKYIO-UHFFFAOYSA-N 306.388 -0.602 50 20 DBGD COc1ccc(NNC(=O)Cn2ccc(=O)n(C)c2=O)cc1 746887167 QWLYTWOBRQLBRB-UHFFFAOYSA-N 304.306 -0.301 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCc3nn[nH]c3C2)c1 759517589 JLVUBODXZGKNDJ-UHFFFAOYSA-N 314.349 -0.068 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)[C@@H](O)C2)n1 768767171 CMCAQSCRDYPNQW-WPRPVWTQSA-N 312.395 -0.546 50 20 DBGD NC(=O)C1(NCC(=O)NNC(=O)c2ccccc2)CCCC1 777618644 ABPIXIBRWIHVEX-UHFFFAOYSA-N 304.350 -0.165 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCC[C@H]1CCO 779713232 KQRLGYANLIPPBX-WOPDTQHZSA-N 317.386 -0.081 50 20 DBGD N#Cc1ccc(C[C@H](C#N)C(=O)NNC(=O)c2cnn[nH]2)cc1 792143417 NCTBYKCQKATRLG-LLVKDONJSA-N 309.289 -0.180 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2COCCN2C2CCCC2)nc1O 806364642 CUWQWYGBBPZXJG-NSHDSACASA-N 322.369 -0.028 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](c2nc(O)n[nH]2)C1 808777268 JCARFIZQKSQMQI-BDAKNGLRSA-N 310.358 -0.364 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C)S1(=O)=O 810112510 WPFOGCGSFUHEND-NXEZZACHSA-N 319.427 -0.313 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)n1 810308315 WQIIXIHJGUURJV-UHFFFAOYSA-N 313.273 -0.263 50 20 DBGD CN(C)CC1(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1 823013833 HIQXSZXBEWKEFG-NSHDSACASA-N 303.428 -0.180 50 20 DBGD O=C(NNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CCC1 826444478 IJXGRDDNZNATLO-LLVKDONJSA-N 316.321 -0.152 50 20 DBGD O=C(O)NCCCC(=O)NNC(=O)CNC(=O)c1cccnc1 832608191 FQARHVNNZFCIMD-UHFFFAOYSA-N 323.309 -0.993 50 20 DBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 833454839 UZYDDWHJPQHHAB-QMMMGPOBSA-N 320.367 -0.541 50 20 DBGD O=C(NNc1ncc(Br)cn1)[C@H]1COCCN1 848436377 PGBUVQKVHFUPQD-SSDOTTSWSA-N 302.132 -0.329 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc3c2OCCO3)N1 862453729 MVMMNBJRDICVNW-VIFPVBQESA-N 305.290 -0.503 50 20 DBGD COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)C(=O)N2 863144820 BEHMQTPQKGXOKZ-JTQLQIEISA-N 302.290 -0.254 50 20 DBGD Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)CS(C)(=O)=O 863189147 BARIBBZBFBOSAR-UHFFFAOYSA-N 313.310 -0.049 50 20 DBGD CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(B(O)O)cc1 863872642 KHNDOROSZGYFJZ-UHFFFAOYSA-N 313.184 -0.691 50 20 DBGD C[C@]1(C(=O)NNC(=O)CN2CCCC2=O)C[C@H]1Br 913732714 HGQRLKSMUHEAIM-HQJQHLMTSA-N 318.171 -0.070 50 20 DBGD CCNC(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 1261547954 ZGFRJJRWCHWDQK-UHFFFAOYSA-N 306.388 -0.602 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1cccc(F)n1 1261639540 HCNYRUYPDPWBMU-ZETCQYMHSA-N 318.330 -0.402 50 20 DBGD C[S@](=O)c1nncn1CC(=O)NNC(=O)c1cccs1 1318750944 VHWWETLRNFVQOE-FQEVSTJZSA-N 313.364 -0.462 50 20 DBGD O=C(NN=Cc1cn(Cc2cccnc2)nn1)C(=O)NC1CC1 1320025209 GFVUFPICTRENJU-UHFFFAOYSA-N 313.321 -0.550 50 20 DBGD Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NNC(=O)CCO 1320554543 KWFFZAXPNJOYMY-UHFFFAOYSA-N 322.365 -0.162 50 20 DBGD CCNC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)cc1 1321649690 CXFXWJHYBHZHHZ-UHFFFAOYSA-N 300.340 -0.773 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1c[nH]c2cnccc12 1324229903 CTEMVCHXVDAIDY-UHFFFAOYSA-N 303.322 -0.223 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 1325519259 FWRFOACJJKONCD-UHFFFAOYSA-N 317.305 -0.659 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NNc2ccc(Cl)cn2)N1 1329756003 TWMYRROGNTZWOK-SSDOTTSWSA-N 312.717 -0.329 50 20 DBGD O=C(NNc1ncncc1Cl)c1cnn(C[C@H](O)CO)c1 1330786921 JSIOHWKPHSAOQS-QMMMGPOBSA-N 312.717 -0.563 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)Cc2cccnc2)n1C 1348423049 NTGJLBWGPVNHIM-UHFFFAOYSA-N 309.351 -0.324 50 20 DBGD CC(C)[C@]1(CO)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 1348719415 PIQHCVFJLQHNGB-OAHLLOKOSA-N 309.146 -0.014 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnnn1C1CCNCC1 1576903475 KKAPQMNCHQIORB-GXSJLCMTSA-N 322.369 -0.611 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)C1=NO[C@@]2(CCNC2)C1 1580558042 OFEIEWWRATUWAR-HNNXBMFYSA-N 317.349 -0.246 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 1593908241 GEJLXXAGTHATMW-GMSGAONNSA-N 314.269 -0.160 50 20 DBGD O=C(NN=Cc1ccoc1C(=O)O)N[C@@H]1CCS(=O)(=O)C1 1608476877 ATAVOYNTJIJVMI-MRVPVSSYSA-N 315.307 -0.202 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1cc(C(=O)O)ccn1 1610673413 HBPIYEJFTILHJW-UHFFFAOYSA-N 304.266 -0.102 50 20 DBGD O=C(NNC(=O)c1cc2ccccc2oc1=O)C(=O)NC1CC1 8392254 XBTCUQMIBFGCPV-UHFFFAOYSA-N 315.285 -0.167 50 20 DBGD O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NNC(=O)C1CC1 112981532 IEMDYQALWUDJCG-SCZZXKLOSA-N 309.288 -0.069 50 20 DBGD O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)C(=O)N1CCCC1 266170770 WBAKZCXJJPIKDO-UHFFFAOYSA-N 320.305 -0.093 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC(=O)N2)cc1 270204438 HEHHABRHXUWQJD-LBPRGKRZSA-N 316.317 -0.247 50 20 DBGD CC(C)NS(=O)(=O)CCNC(=O)NNc1ncccn1 299412061 HGVSZZOOUFHKHU-UHFFFAOYSA-N 302.360 -0.570 50 20 DBGD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584939073 KVWKVBQERIJCMQ-RKDXNWHRSA-N 310.134 -0.462 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C2CCOCC2)CC1 584956551 CLGHDEYOYNAJRL-UHFFFAOYSA-N 318.182 -0.697 50 20 DBGD COCCO[C@H]1COCC[C@H]1NCc1ccc(B(O)O)cc1 585036000 BSZMDYDNWFPFRM-CABCVRRESA-N 309.171 -0.724 50 20 DBGD CN(C)N(C(=O)COC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 733215446 RTULQRZTXPPSSL-RYUDHWBXSA-N 320.411 -0.326 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1ccc(C#N)cc1 733660214 DWFSWSPQMCKBEM-VIFPVBQESA-N 324.362 -0.065 50 20 DBGD Cc1ccc(O)c(C=NNC(=O)Cc2cc(O)nc(O)n2)n1 743446107 NHGKJCRLBKOWME-UHFFFAOYSA-N 303.278 -0.010 50 20 DBGD COC[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CC1 750442630 ILYPKPUBSDGOIG-JQWIXIFHSA-N 305.400 -0.208 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 750837527 MZJDKUOYIQKXMS-UHFFFAOYSA-N 312.307 -0.325 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1C[C@@]12CCOC2 763765116 WBAVSHZNIHLUJF-IAQYHMDHSA-N 318.333 -0.615 50 20 DBGD Cn1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n1 764343123 LDYKHAASKOFSRE-UHFFFAOYSA-N 302.294 -0.994 50 20 DBGD CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764422419 YXDPHUZEVMZKPD-SECBINFHSA-N 309.322 -0.058 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc(F)n1 768129480 FRMHQUMNWFBTMN-ZETCQYMHSA-N 316.314 -0.192 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CNC(=O)c2cccs2)n1 786053319 DVSIWHSYKYOIML-UHFFFAOYSA-N 308.323 -0.932 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc(Cn2cccn2)on1 794254784 LTDYKFIIHGTXOZ-UHFFFAOYSA-N 320.309 -0.394 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802096946 BEYGNZTYBNSPTH-CYBMUJFWSA-N 311.294 -0.035 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cnc(C2OCCO2)s1 806771356 PJKRBQPEFXRCNH-UHFFFAOYSA-N 300.340 -0.489 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c[nH]1 815164035 UQPONGULLFANRR-UHFFFAOYSA-N 308.294 -0.815 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)NN(C)CCOC)c1 816560826 BJRIWHURNJYGMB-UHFFFAOYSA-N 301.368 -0.182 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C 827259224 HSGFZZZEKDBOKS-GWOFURMSSA-N 313.354 -0.107 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccnc1F 832064434 PMJXWISVXBCCMW-ZCFIWIBFSA-N 319.318 -0.689 50 20 DBGD CCO[C@@H]1COC[C@H]1NCC(=O)NNC(=O)c1ccccc1 832451234 WFYCHKZTUXFLKF-CHWSQXEVSA-N 307.350 -0.159 50 20 DBGD O=C(Cc1ccsc1)NNC(=O)Cn1cc(C(=O)O)nn1 833120234 TUBLZNGSWOAYKO-UHFFFAOYSA-N 309.307 -0.572 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 833256995 SGXBZSFJMJLGLZ-WDEREUQCSA-N 313.354 -0.802 50 20 DBGD CNCCCNC(=O)NNC(=O)COc1ccccc1C#N 841916100 ZBMDPGRZLJVGPV-UHFFFAOYSA-N 305.338 -0.123 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](CN)CC(C)C 841951202 FUYCBGQHYCFHBR-WDEREUQCSA-N 304.391 -0.258 50 20 DBGD CC(=O)N[C@@H](CC(=O)NC[C@@]1(C)C[C@H]1Br)C(N)=O 857733331 JDHOOQLRGUDZPO-VAOFZXAKSA-N 320.187 -0.344 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H](CO)Cc2ccccc2)N1 858698426 ZRXJAWWNWYPVTN-RYUDHWBXSA-N 320.349 -0.801 50 20 DBGD CCn1c(S)nnc1CNC(=O)c1ccc(B(O)O)cc1 863874098 MVTFSHQKKSYBML-UHFFFAOYSA-N 306.156 -0.804 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](O)CCc1ccccc1 869908730 VRWUVYATYVBKMF-CYBMUJFWSA-N 310.350 -0.210 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C(C)(C)CN1CCOCC1 873836937 GSZGPNILNVXDTI-UHFFFAOYSA-N 314.386 -0.983 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2cnccn12 1318871289 RYNNFPBOEBIRAM-MRVPVSSYSA-N 310.339 -0.883 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(NC(C)=O)c1C 1320232729 QEFNJCNBXWGZKN-UHFFFAOYSA-N 322.321 -0.314 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 1320234503 GGUOPQXAZSFSRK-UHFFFAOYSA-N 303.282 -0.923 50 20 DBGD CC(=NNC(=O)C(=O)N1CCCC1)C1CCS(=O)(=O)CC1 1320579088 USVRUGOJQCTANJ-UHFFFAOYSA-N 315.395 -0.074 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCCN2CCOCC2)cn1 1328684844 AGXUVOGABLIADH-UHFFFAOYSA-N 310.358 -0.914 50 20 DBGD COC(=O)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 1329331471 IRAODFNIMFLFIF-UHFFFAOYSA-N 306.127 -0.719 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H](O)c2ccsc2)N1 1329752230 BUMONDPRIMUSIV-IUCAKERBSA-N 312.351 -0.610 50 20 DBGD COCCn1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)cn1 1337973814 GFCFVXDVRSVDEN-UHFFFAOYSA-N 323.353 -0.194 50 20 DBGD O=C(O)C[C@H](CNC(=O)NNC(=O)c1ncccn1)C1CC1 1601891388 JEQSNAUKGYWPGQ-SECBINFHSA-N 307.310 -0.079 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ncccc2C(=O)O)C1=O 1604196052 IDDKXCRSHZZWNB-UHFFFAOYSA-N 307.266 -0.883 50 20 DBGD O=C(c1ncc[nH]1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349638 FEXVUSXVIYENRP-VIFPVBQESA-N 312.757 -0.174 50 20 DBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)C1CC1 26970247 FNKPHRMJBZFKQC-UHFFFAOYSA-N 313.335 -0.486 50 20 DBGD COC(=O)NCC(=O)NNC(=O)CNc1ccc(OC)cc1 65044098 YDIZXHUETSHOJO-UHFFFAOYSA-N 310.310 -0.390 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 125763063 GTMUFMVXXKOEGU-UHFFFAOYSA-N 317.353 -0.237 50 20 DBGD CN1CCC[C@@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 139664276 KQDMCAAUJXHPTC-ZYHUDNBSSA-N 304.416 -0.538 50 20 DBGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N(C)CC(F)(F)F 193030155 VCLNWAWLTIGUFI-QMMMGPOBSA-N 324.303 -0.361 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2COCCO2)c1 264005925 JCHJSIUHLQRTGN-LBPRGKRZSA-N 309.322 -0.330 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)CNc2ccc(OC)cc2)CC1 264369513 IXGYOSCXPVGXAU-UHFFFAOYSA-N 320.349 -0.219 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2F)O1 268490071 VAKWSYDJGSHJSO-GZMMTYOYSA-N 324.312 -0.197 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Cn1cccn1 273231194 LVNREMBMTYBZFK-SECBINFHSA-N 311.342 -0.056 50 20 DBGD O=C(CN1C[C@H](O)C[C@H]1CO)NNC(=O)c1ccc(F)cc1 274615718 QEHMJCUYZYXWPO-NWDGAFQWSA-N 311.313 -0.986 50 20 DBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)O1 276606894 MEYKFXBPYAGTFM-GHMZBOCLSA-N 309.297 -0.452 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 281232728 NAEMTTZTJGBANB-MRVPVSSYSA-N 322.456 -0.368 50 20 DBGD C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 281631734 VCRRWSFLDSROTQ-MWLCHTKSSA-N 310.354 -0.423 50 20 DBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)COc1ccccc1O 282329321 WPKBFBHLWKDBKT-VIFPVBQESA-N 318.351 -0.244 50 20 DBGD O=C1CN(CCNC(=O)NNc2ncc(F)cc2F)CCN1 297406551 RXVCFMHTJHWURT-UHFFFAOYSA-N 314.296 -0.582 50 20 DBGD O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cccc(B(O)O)c1 584963909 FFNIDHSZXUBWRB-CQSZACIVSA-N 319.166 -0.176 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCS[C@@H]2COCC[C@@H]21 584965819 UCTVDILNWACEJK-QWHCGFSZSA-N 307.180 -0.287 50 20 DBGD O=C(NC[C@@H](CO)Cc1cccnc1)c1cccc(B(O)O)c1 584984316 ZEPRHXHILCCDGA-ZDUSSCGKSA-N 314.150 -0.658 50 20 DBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCB(O)O)cc1 585062364 GMWQSMBKTFYIDE-LBPRGKRZSA-N 306.127 -0.572 50 20 DBGD CC(C)[C@@H](C(=O)N1CC[C@H](B(O)O)C1)N1CCCS1(=O)=O 585064601 RYEKXTYMJJNXBR-QWRGUYRKSA-N 318.204 -0.878 50 20 DBGD Cc1cc(C(=O)NNC(=O)CN(C)C)ccc1-n1cnnn1 727761559 OITIAXHDXMBDMC-UHFFFAOYSA-N 303.326 -0.707 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)Cn1ccc([N+](=O)[O-])n1 728851861 ZWLFIORCEXFVDA-UHFFFAOYSA-N 304.266 -0.424 50 20 DBGD C[C@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CN1C1CC1 753959953 NEYLUUMVJKBRBK-DTWKUNHWSA-N 302.400 -0.347 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)N=c2nc[nH]n2C)cc1 757760915 KPKBBQQOEGQTAX-UHFFFAOYSA-N 320.309 -0.523 50 20 DBGD CCCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)C(C)(C)O 768246808 ZSOYFXKRKGWQDU-VIFPVBQESA-N 317.411 -0.004 50 20 DBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 771937950 HMCNYYDQBXXHFW-VHSXEESVSA-N 319.427 -0.265 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(=O)NC2CC2)CC1 772089035 NYPCDADDOVJNNB-MRVPVSSYSA-N 311.338 -0.466 50 20 DBGD C[C@H]1COCCN1CCNS(=O)(=O)CBr 780771069 LZFWIRABNRWDAC-QMMMGPOBSA-N 301.206 -0.021 50 20 DBGD C[C@@H]1COC(=O)C1=NNC(=O)CSc1nnc(O)nc1O 794886015 DCNKOUPXPNIBMA-SCSAIBSYSA-N 313.295 -0.960 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 814203674 JAWXTIIYVQXFMU-UHFFFAOYSA-N 324.337 -0.216 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)Nc1cccnc1 826075820 BZOBVZPYAKLOAB-MWLCHTKSSA-N 321.337 -0.225 50 20 DBGD C[C@@H](CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)O 827442754 QZXHDPLATGOPPZ-JTQLQIEISA-N 318.333 -0.028 50 20 DBGD N#CCCN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 827478456 DLIZYVBHACMOKC-UHFFFAOYSA-N 305.118 -0.823 50 20 DBGD Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)NCC(=O)O 833747220 DWLHWTXNQMPSCS-UHFFFAOYSA-N 312.307 -0.556 50 20 DBGD C[C@H](CN)CNC(=O)NNC(=O)COc1ccc(C#N)cc1 841963932 XOGUSIOAJVIMOL-SNVBAGLBSA-N 305.338 -0.138 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccncc1 843972598 VEAXSIRTSSQSOL-GXSJLCMTSA-N 306.322 -0.616 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(=O)n1 843973473 YLLAMLULRILQTO-WDEREUQCSA-N 308.338 -0.567 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCc2nnnn2CC1 846062556 HDDYSWUJFHKWFN-ZCFIWIBFSA-N 321.263 -0.482 50 20 DBGD CCC1CCN(S(=O)(=O)NNC(=O)C(=O)NC(C)C)CC1 849304095 NUJDYBWAMIKJIT-UHFFFAOYSA-N 320.415 -0.501 50 20 DBGD O=C(NNCC(F)(F)C(F)(F)F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 863099055 WBYSSUXTKMQQAH-FSDSQADBSA-N 320.214 -0.782 50 20 DBGD Cc1cc(O)cc2c1C(=O)C(=NNC(=O)[C@H]1CCC(=O)N1)O2 863146851 ZYCRACPYXOHLEF-MRVPVSSYSA-N 303.274 -0.016 50 20 DBGD CCOC(=O)CCN(C(=O)c1cccc(B(O)O)c1)C1CC1 865017081 FGHLWYJRLDDHJI-UHFFFAOYSA-N 305.139 -0.076 50 20 DBGD CN1CCN(C(=O)NN=Cc2cn(C[C@@H]3CCCO3)nn2)CC1 872368230 FDRSOSAHFBGMRF-ZDUSSCGKSA-N 321.385 -0.252 50 20 DBGD CN1CCC(N2CC[C@@H](NCc3ccccc3B(O)O)C2)CC1 877026584 CLMCQCAHOGIGOU-OAHLLOKOSA-N 317.242 -0.376 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1 899946358 AEGYWQIAOVRHKZ-WBMJQRKESA-N 321.377 -0.024 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1csc2cncn12 913731008 QTWPOZJBDXXBBA-UHFFFAOYSA-N 307.335 -0.221 50 20 DBGD Cn1cc(C(=O)NNc2ccc(Cl)nn2)c(=O)n(C)c1=O 1116090013 AILBROYHPIBPTP-UHFFFAOYSA-N 310.701 -0.716 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1116597655 NLQVMVQJYYHUGM-QMMMGPOBSA-N 306.322 -0.083 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 1320249544 ZGXSQPCJOJMBFU-UHFFFAOYSA-N 320.305 -0.079 50 20 DBGD CC(=O)c1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1F 1329086603 QHDVRGPYJLEKHV-UHFFFAOYSA-N 311.269 -0.503 50 20 DBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)COCCN)nc21 1329274504 XIZHUJNMKVDHSP-UHFFFAOYSA-N 323.357 -0.295 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1336752558 YRYNKXAYNUTJMY-JTQLQIEISA-N 310.383 -0.183 50 20 DBGD COCCOCC(=O)NNC(=O)CCOC1CCOCC1 1348741964 PIQPQMKDZCXHSF-UHFFFAOYSA-N 304.343 -0.618 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)n1 1349160101 UPIGSYBJOIBANH-GHMZBOCLSA-N 306.370 -0.375 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C(=O)CCC2=O)cc1 1521182507 SDZYRSMRSCYYNA-UHFFFAOYSA-N 300.274 -0.532 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1coc(-c2nn[nH]n2)c1 1582150948 YZHXKPOSCNTRAW-UHFFFAOYSA-N 313.277 -0.142 50 20 DBGD CC(C)(C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccs1 1588618566 SXRGAKFWIIMZHI-UHFFFAOYSA-N 313.335 -0.264 50 20 DBGD Cn1cnnc1COCC(=O)NNc1ccc(C(=O)O)cn1 1600995905 LYVAGDZJPNHBLB-UHFFFAOYSA-N 306.282 -0.432 50 20 DBGD COC[C@](C)(NCC(=O)NNC(=O)c1cccc(C)c1)C(=O)O 1606790602 BDGKZQQWIWWJKF-HNNXBMFYSA-N 323.349 -0.165 50 20 DBGD O=C(O)c1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)nc1 1610835386 CSNPXBBWRFAPFY-NSHDSACASA-N 305.338 -0.387 50 20 DBGD NCC(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805518496 GXLSFXUNFVCZEV-NSHDSACASA-N 317.817 -0.224 50 20 DBGD COC(OC)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841485458 AQSMKKNEXBJINR-SECBINFHSA-N 320.773 -0.592 50 20 DBGD COc1ccc(OC)c(C(=O)NNC(=O)C(=O)NC(C)C)c1 8391209 RBLPURGIBRRPSN-UHFFFAOYSA-N 309.322 -0.011 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)NNc1ncccn1 42041536 SEPRYROQWYEMNE-UHFFFAOYSA-N 313.364 -0.040 50 20 DBGD CCN(CC(N)=O)CC(=O)NNC(=O)c1ccccc1Cl 191702845 BTYVNRUAXUUCIF-UHFFFAOYSA-N 312.757 -0.092 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)C1CCC1 264834070 ZQULYODOVHNALP-UHFFFAOYSA-N 317.392 -0.026 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)NC2CCCC2)nn1 267055957 WOEMYBMBURICQG-UHFFFAOYSA-N 310.314 -0.662 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 267529392 YXSRJBCZDCCIOZ-VIFPVBQESA-N 321.293 -0.231 50 20 DBGD COc1ccc(NNC(=O)CN2CCCS2(=O)=O)nc1 275609324 QNFLGCPOABQTBD-UHFFFAOYSA-N 300.340 -0.431 50 20 DBGD CC(=O)NNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 276577017 SWAIBVPLZDQIAS-UHFFFAOYSA-N 304.306 -0.081 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 368264424 OYTASZTZLMGVPV-CYBMUJFWSA-N 319.361 -0.393 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(C(=O)C2CCC2)CC1 584945379 XYHRISJKOLMJTD-UHFFFAOYSA-N 316.166 -0.549 50 20 DBGD CN(CCCO)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584967837 NKUCLXLLXBXTPX-UHFFFAOYSA-N 320.198 -0.715 50 20 DBGD O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1cc(B(O)O)ccc1F 584987675 RLLCUUDHQUCUHA-QWHCGFSZSA-N 320.129 -0.611 50 20 DBGD OC[C@@H](C[C@H](O)c1ccccc1)NCc1ccc(B(O)O)o1 585035925 ZWNVPINCKJXRMV-OCCSQVGLSA-N 305.139 -0.466 50 20 DBGD O=S(=O)(NCB(O)O)c1ccc(F)c(Br)c1 585056571 XTYFNHVXPNSFKT-UHFFFAOYSA-N 311.925 -0.122 50 20 DBGD O=C(NCCO)C1CCN(S(=O)(=O)CCCCl)CC1 711861895 HZMACSALXZLRLB-UHFFFAOYSA-N 312.819 -0.234 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 731218046 QLAFEHOZSFZWRR-UHFFFAOYSA-N 316.339 -0.477 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CSCC(N)=O 735648638 GIFHBRUIYZJOPR-UHFFFAOYSA-N 321.362 -0.378 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@H]2COCCO2)cn1 745173194 IXQHPBICBFCKOO-SECBINFHSA-N 312.351 -0.177 50 20 DBGD O=C(CCn1cccc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746164598 YEZKHMUHGQXHCH-SNVBAGLBSA-N 314.367 -0.604 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NCCN1CCCS1(=O)=O 747110537 GQGIHUQOKPBLKX-UHFFFAOYSA-N 306.388 -0.602 50 20 DBGD O=C(NCCOC1CCCC1)NNC(=O)C(=O)N1CCCC1 748462058 SRKZMDKPETWXHL-UHFFFAOYSA-N 312.370 -0.102 50 20 DBGD C#CCOCCNC(=O)NNC(=O)COc1ccc(C#N)cc1 753384700 ZDAPIYCUZUKXSE-UHFFFAOYSA-N 316.317 -0.083 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)c(OC)n1 764142444 GGGVMCRAKULVPY-UHFFFAOYSA-N 322.321 -0.015 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 764302751 HFVPXFCWYRJHGH-UHFFFAOYSA-N 310.266 -0.364 50 20 DBGD Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(=O)NNC(=O)C1CC1 766278647 GRIYXLBHINQRBJ-LBPRGKRZSA-N 321.381 -0.043 50 20 DBGD CCOC(=O)NCCC(=O)O[C@H](C)C(=O)NNC(=O)CC 771989631 TVENMTAWQRQNLV-MRVPVSSYSA-N 303.315 -0.388 50 20 DBGD Cn1nncc1NNC(=O)CNC(=O)c1ccc(F)c(F)c1 816771441 MOYKVZSQSUNCPY-UHFFFAOYSA-N 310.264 -0.034 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1ccccc1O 821124232 RCNATOZSYRWCHD-UHFFFAOYSA-N 303.340 -0.550 50 20 DBGD CCOC(=O)c1cc(C(=O)NNC(=O)c2cnn[nH]2)[nH]c1C 823133908 XAEIQJAUCMVMFO-UHFFFAOYSA-N 306.282 -0.307 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCN1CCOCC1 825525968 LDDDBGKGCIBCBD-NWDGAFQWSA-N 314.386 -0.536 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826423961 PQMFAGQXECUMPR-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD C[C@H](CC(=O)O)C(=O)NNC(=O)CNC(=O)c1cccnc1 827304618 YNRNHOHZJZXASH-MRVPVSSYSA-N 308.294 -0.930 50 20 DBGD O=C(O)CCCCCCNC(=O)NNC(=O)[C@@H]1COCCO1 833225029 JDHZPATZNRLFNI-JTQLQIEISA-N 317.342 -0.233 50 20 DBGD C[C@@H]1CC=C(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 839651137 ZNRDFHIKMYXTQJ-BDAKNGLRSA-N 303.384 -0.182 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 843655006 LNWSIXXJDVPBGH-PSASIEDQSA-N 318.395 -0.085 50 20 DBGD CCOCCOCCCC(=O)NNC(=O)N1CCN(C)CC1 854378761 AYZFYMCBHVXSKZ-UHFFFAOYSA-N 316.402 -0.192 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)c1cc[nH]n1)C(=O)OC(C)(C)C 855355578 AHWPWMIXAKAISO-ZDUSSCGKSA-N 312.326 -0.083 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1 863413971 OVHVPDWZQFLMAI-JTQLQIEISA-N 311.363 -0.108 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCc2nnnn2CC1 899998083 DXWSADJPYXMYPA-MRVPVSSYSA-N 311.415 -0.081 50 20 DBGD C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)n1cncn1 915262186 RXTAAASDFYWMAP-SNVBAGLBSA-N 314.305 -0.063 50 20 DBGD Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 1116702273 JEIVZTFWFUNTHJ-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)c1ccc[nH]1 1117659042 UKPRZRAMKIEEIV-UHFFFAOYSA-N 302.356 -0.218 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nnnn1CC1CC1 1118126653 SQPNKJGSTPQEGE-WCBMZHEXSA-N 323.357 -0.662 50 20 DBGD CCn1ccnc1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118806848 BPEFDCWYJAWAEU-RKDXNWHRSA-N 308.342 -0.427 50 20 DBGD COCCO[C@@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118863742 AWTOIKIQSVGVML-LLVKDONJSA-N 311.342 -0.109 50 20 DBGD COC(OC)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1118910507 IMDWUZLEVQYECW-SSDOTTSWSA-N 311.294 -0.389 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cccc(N2CCNC2=O)c1 1318238322 WXXNLFJRPZOADH-UHFFFAOYSA-N 305.338 -0.461 50 20 DBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2ccncc2)C1 1318891974 VTQISKJTVHRMRH-LLVKDONJSA-N 305.338 -0.438 50 20 DBGD COC(=O)C(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCCO3 1323496915 RNTGUHDNHSHMHJ-UHFFFAOYSA-N 319.273 -0.207 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=S)Nc1ccc(C(N)=O)cc1 1325622478 VBYUOQKKXSSAGP-UHFFFAOYSA-N 323.378 -0.372 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 1329882442 ACQXUHILUTXGAN-ZETCQYMHSA-N 302.308 -0.516 50 20 DBGD Cc1nc2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2n1C 1339656210 CEZIXYGTTKRDQI-UHFFFAOYSA-N 315.333 -0.079 50 20 DBGD CC(=O)Nc1cccc(CC(=O)NNC(=O)C(=O)NC(C)C)c1 1345606974 UTCSLZPQBGWCSP-UHFFFAOYSA-N 320.349 -0.141 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C(=O)N1c1ccccc1 1594254831 GFVIXTXLMGLSDX-WPRPVWTQSA-N 320.305 -0.405 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)c(Cl)cc1F 1600249849 BNODYVIHAFJIFG-UHFFFAOYSA-N 317.660 -0.042 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1601023772 KUPASUILRASSFR-ZXFLCMHBSA-N 323.309 -0.162 50 20 DBGD C=CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1602862529 GLROIKMXPXPQLY-UHFFFAOYSA-N 317.309 -0.238 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)/C=C\c1ccc(C(=O)O)o1 1604914705 UVGDYOHIAWLFIK-HYXAFXHYSA-N 316.291 -0.817 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)cn1 1605491165 NXWDVZKWBPJLOC-FDRPNREGSA-N 316.317 -0.113 50 20 DBGD C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1800749526 RPCDQZSUGSLDBS-SPFKKGSWSA-N 308.737 -0.509 50 20 DBGD C[C@@H](CN)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558194 IPAMBCHHZOLMKL-XWLWVQCSSA-N 303.790 -0.617 50 20 DBGD CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 35939864 CZGOLSDULJKNSP-UHFFFAOYSA-N 304.350 -0.388 50 20 DBGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NN(C)C(N)=O 181087442 ZPLWPRADRXQAMH-LLVKDONJSA-N 321.316 -0.054 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)n1 190076060 UVIQFDUGFAWLEX-UHFFFAOYSA-N 307.285 -0.062 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cn1 265366989 YKYXNOSBRREZJJ-RNCFNFMXSA-N 323.378 -0.365 50 20 DBGD O=C(CN1CC[C@@H](CO)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 266967254 YQNPBKTXARGFNF-SNVBAGLBSA-N 322.321 -0.330 50 20 DBGD COc1cccc(NNC(=O)NCCCN2C(=O)CNC2=O)n1 272638418 YTWJFLWFKXHIAD-UHFFFAOYSA-N 322.325 -0.342 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C(=O)OC 283363760 TUFXFTDMCWFQLG-JTQLQIEISA-N 322.321 -0.842 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CC(=O)N1 296303643 SGWNXLXQCXOFMA-VIFPVBQESA-N 308.313 -0.593 50 20 DBGD CCOC(=O)c1ccc(NNC(=O)[C@@H](CO)NC(N)=O)cc1C 298191247 BHTBCIQQFPKKCU-LLVKDONJSA-N 324.337 -0.356 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 299230285 RPBWDTVURHTLOJ-SECBINFHSA-N 313.379 -0.052 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494743222 XBDNFRYYDPXSKE-UHFFFAOYSA-N 323.371 -0.907 50 20 DBGD COC(=O)NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 495367647 SGESFMWUDZGKFB-CYBMUJFWSA-N 306.278 -0.258 50 20 DBGD CN(C)[C@@H](C(=O)Nc1cccc(B(O)O)c1)c1cncn1C 584912406 FJLMSZQDVPGWNH-CYBMUJFWSA-N 302.143 -0.659 50 20 DBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](O)C(F)(F)F 584968311 KCFQNSPTUFKZFQ-UWVGGRQHSA-N 305.061 -0.202 50 20 DBGD OB(O)c1ccc(CNC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)o1 585039218 QIHHHTOTTASVET-PIGJHHTGSA-N 315.178 -0.442 50 20 DBGD O=C1C[C@H](NCc2ccc(B(O)O)o2)CN1c1ccccc1F 585043310 MMDHQQRCEDGXEX-JTQLQIEISA-N 318.113 -0.006 50 20 DBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)C(=O)NC1CC1 728712715 BMEIWZZFQUTRPC-UHFFFAOYSA-N 312.370 -0.549 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc(Cl)nc2)CC1 732273267 ZSVFVCBWLQGOAC-UHFFFAOYSA-N 311.773 -0.257 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 736548847 BPGFZTPSEPBLPT-UHFFFAOYSA-N 314.367 -0.171 50 20 DBGD O=C(CNC(=O)Nc1ccccc1)NNC(=O)N1CCOCC1 745988131 QTBLTFSVNIZPJO-UHFFFAOYSA-N 321.337 -0.119 50 20 DBGD COC[C@](C)(CC(=O)OC)NCC(=O)NNC(=O)C1CC1 755979942 JEFJPFYCFBMOAO-ZDUSSCGKSA-N 301.343 -0.898 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC(=O)N[C@@H]2CCCC[C@H]21 758775487 VNAMJKFVLCMXSE-GHMZBOCLSA-N 310.398 -0.077 50 20 DBGD COC(=O)c1ccc(NNC(=O)Cn2cccnc2=O)nc1 759730320 RKNYZAWAGLIOOJ-UHFFFAOYSA-N 303.278 -0.432 50 20 DBGD CCCCNC(=O)NNC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O 779504098 ZIWAXNGSBCGFNI-PSASIEDQSA-N 300.359 -0.608 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)s1 779845870 UDXDJUAFIOUQBA-UHFFFAOYSA-N 307.353 -0.278 50 20 DBGD Cc1[nH]c(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)O 800812702 KQFTWLNIIHYPTG-ZETCQYMHSA-N 316.339 -0.591 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)CCc1ccccc1 807553559 SRSHPBUCEZKBJS-UHFFFAOYSA-N 303.322 -0.411 50 20 DBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)[C@@H]1COc2ccccc2O1 816813949 CPWJIJXOBVLGIX-SKDRFNHKSA-N 319.317 -0.358 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccnc1S 822073475 GNYWKMUYTLENQV-ZETCQYMHSA-N 315.376 -0.434 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1ncc(F)cc1F 854899475 NSLACGKTYHCKEK-UHFFFAOYSA-N 309.298 -0.801 50 20 DBGD NC(=O)C(=O)Nc1cccc(NCc2cccc(B(O)O)c2)c1 864036033 JRPIMBPCZSNTGG-UHFFFAOYSA-N 313.122 -0.598 50 20 DBGD O=Cc1ccc(OCC(=O)N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])c1 874970100 OWJPXTNTGBPSBE-JTQLQIEISA-N 322.082 -0.139 50 20 DBGD CNC(=O)NN=Cc1c(Cl)nc(N)nc1N1CCOCC1 920377881 PQEAVLXGGOGTHX-UHFFFAOYSA-N 313.749 -0.188 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCCO1 921166968 VNNQQCOAYPBISN-GHMZBOCLSA-N 315.370 -0.367 50 20 DBGD O=C(NNC(=O)c1c(F)ccc2c1OCO2)C(=O)N1CCCC1 931246399 CMNQKWDHUHCSRJ-UHFFFAOYSA-N 323.280 -0.062 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)NCc2ccc(F)cc2)cn1 1116135522 XXJOPZCZGKGHKQ-UHFFFAOYSA-N 319.296 -0.363 50 20 DBGD C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)C(=O)N1CCCC1 1318902142 RNRRJUHQZZBGRI-JTQLQIEISA-N 314.386 -0.264 50 20 DBGD CCONC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1320422271 OHKPANAKNUNUHY-UHFFFAOYSA-N 305.294 -0.171 50 20 DBGD Cn1cnc(CNC(=O)NNc2ccc(-n3ccnc3)nn2)n1 1323289534 RIAOLQKZCARHRY-UHFFFAOYSA-N 314.313 -0.383 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 1330489385 OYSTYJKTEIRWSK-ZCFIWIBFSA-N 313.314 -0.069 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CCN(C3CC3)CC2)N1 1331295722 GRLVNCUTNVXZGE-LBPRGKRZSA-N 323.397 -0.530 50 20 DBGD O=C(CNC(=O)[C@@H]1CCCN1)NNc1ccccc1[N+](=O)[O-] 1332090875 SGGHOFOEWKBNRX-JTQLQIEISA-N 307.310 -0.094 50 20 DBGD N#Cc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1335363910 LQNBAXDNKCISIE-JTQLQIEISA-N 308.319 -0.854 50 20 DBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)[C@H]1COc2ccccc2O1 1340494766 NIBICNGESGYWNC-JOYOIKCWSA-N 320.301 -0.073 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)cc1 1520729450 QECIZUYPZJWSGK-FZMZJTMJSA-N 318.377 -0.156 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)COc1cc(C)ccc1C 1574103770 ANMWSPZELCCKON-GFCCVEGCSA-N 310.306 -0.071 50 20 DBGD CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCN2)c1 1578402841 ASTBOGHHTLUAPF-LLVKDONJSA-N 305.338 -0.097 50 20 DBGD Cn1nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ccc1=O 1592593365 RBIKEHBXTLTFOF-UHFFFAOYSA-N 312.293 -0.283 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1=CCS(=O)(=O)C1 1593165111 UYBXCPMFVFGOND-UHFFFAOYSA-N 321.322 -0.940 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)n(C)c2)cn1 1600933222 YEWWNIYLXAPUMM-UHFFFAOYSA-N 306.282 -0.077 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)NC[C@H](F)C(=O)O 1601125102 BGEFSMOJFCMJDV-VIFPVBQESA-N 324.268 -0.310 50 20 DBGD O=C(O)c1cnc(C(=O)NNC(=O)c2ccccc2O)cn1 1606537342 JLIDMIGMCYIEOP-UHFFFAOYSA-N 302.246 -0.045 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(=O)O)nc1 1776042018 CJEMAJICNCVCQS-ZETCQYMHSA-N 314.323 -0.832 50 20 DBGD NCC(=O)N1CCCC12CN(C(=O)[C@H](F)Br)C2 1842877875 MWJZADYBCQVLBN-QMMMGPOBSA-N 308.151 -0.161 50 20 DBGD CC(C)CC(=O)NNS(=O)(=O)c1cc(C(N)=O)n(C)c1 28198499 ZPGBUPDBWPHNAO-UHFFFAOYSA-N 302.356 -0.520 50 20 DBGD CCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)[C@@H](C)CC 55617323 HQHIZSXRSFIOQN-ZETCQYMHSA-N 318.355 -0.058 50 20 DBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1cnn(C)c1 265335806 PLBRBAZJYDXNRM-UHFFFAOYSA-N 316.383 -0.358 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)COc2ccccc2F)C1=O 265695856 OSGNGCVZYHWMOM-JTQLQIEISA-N 324.312 -0.234 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1=NN(C)C(=O)CC1 276525653 GTFBEJRHVJABQN-UHFFFAOYSA-N 314.342 -0.469 50 20 DBGD O=C(Cn1cc(Br)cn1)NNC(=O)[C@@H]1CCCO1 294634033 LPYAOVYZIVYTGV-QMMMGPOBSA-N 317.143 -0.028 50 20 DBGD CN(CC(=O)NNC(=O)[C@@H]1CCCO1)c1ncnc2nc[nH]c12 294645386 MMWSLSGSOOIVLP-QMMMGPOBSA-N 319.325 -0.885 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc3n2CCCC3)CC1 377219802 DTEFPGJHMJBZJA-UHFFFAOYSA-N 306.370 -0.179 50 20 DBGD CC(C)(C)n1nnc(CNC(=O)c2cccc(B(O)O)c2)n1 585004307 CMGNVOLGXQNAHH-UHFFFAOYSA-N 303.131 -0.962 50 20 DBGD OB(O)c1cccc(CNC[C@H](O)COc2ccccc2)c1 585018326 UVXKZNYWLDCTCA-HNNXBMFYSA-N 301.151 -0.104 50 20 DBGD OCCOCc1ccc(CNCc2ccc(B(O)O)o2)cc1F 585019833 ICWBZDKZFZFVFA-UHFFFAOYSA-N 323.129 -0.103 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1N 757971023 NZMVDXWCTDEHKZ-UHFFFAOYSA-N 322.350 -0.745 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 758056901 UPKMCMDPSKBOFP-SECBINFHSA-N 314.367 -0.982 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 770440343 JXSTVNPYTSYPJJ-UHFFFAOYSA-N 306.238 -0.578 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)cn1 771451854 ZGFQKJKQXMOGFE-UHFFFAOYSA-N 307.335 -0.437 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 771865028 AVMGGEIZJPINGW-JTQLQIEISA-N 321.333 -0.300 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCc1nc[nH]n1 772185957 KLKAIWJKEOZVIX-VIFPVBQESA-N 311.342 -0.138 50 20 DBGD CS[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1N(C)C 775999877 KDGDRNPYRQXZHK-QWRGUYRKSA-N 300.428 -0.479 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2ccc[nH]2)c(=O)c1 790483143 ATXWPVRUHACXAQ-HNNXBMFYSA-N 318.333 -0.303 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 809971372 CNCRJNFJTYPMGG-VIFPVBQESA-N 302.338 -0.280 50 20 DBGD CCN(CCO)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 823859845 BDUJDTLJRMIWQI-INIZCTEOSA-N 307.394 -0.031 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)N1CCOCC1)C(C)=O 824621234 KJPITAQLYREOSE-SNVBAGLBSA-N 315.326 -0.782 50 20 DBGD C=CCn1cc(C(=O)NNC(=S)NCCSC)nn1 843844958 BRPKRELTPRLQKO-UHFFFAOYSA-N 300.413 -0.064 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@](C)(O)Cn1ccccc1=O 843970417 FRUPRYXRPSZSEK-ZIBATOQPSA-N 323.349 -0.828 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 844667561 QOXUICPJIZPVLB-XWLWVQCSSA-N 303.384 -0.239 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 845928399 MPGANSGVGNRXHQ-JTQLQIEISA-N 313.335 -0.392 50 20 DBGD C[C@@]1(NNC(=O)NCCC2CCNCC2)CCS(=O)(=O)C1 846211762 ZUZDVMCRFDFCGB-CYBMUJFWSA-N 318.443 -0.243 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)[C@H]1CCCCO1)S(N)(=O)=O 854683024 JXWSJPMGOUECEO-BDAKNGLRSA-N 307.372 -0.840 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)C2=NN3CCCN=C3N2)n1 854956391 IHKVYHQNOWHOMD-UHFFFAOYSA-N 308.733 -0.140 50 20 DBGD CN(CC(=O)NNC(=O)OCC(F)(F)F)S(C)(=O)=O 856025600 UVCOVPKRNJDNLG-UHFFFAOYSA-N 307.250 -0.803 50 20 DBGD COc1ccc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858087360 NHGKJMNAUGDEHI-GFCCVEGCSA-N 320.349 -0.153 50 20 DBGD CC(=O)c1cccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862448187 ARVAHANWUXHRMA-LBPRGKRZSA-N 319.317 -0.306 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1cccc(Cl)c1 863459313 NXHVYDIBJZXVRP-UHFFFAOYSA-N 320.754 -0.089 50 20 DBGD CN(C(=O)c1cc(B(O)O)ccc1F)[C@H]1CC(C)(C)OC1=O 863882674 OGNQNQAJWBIMMH-NSHDSACASA-N 309.102 -0.328 50 20 DBGD CC[C@H](C(=O)NNC(=O)CN1CCCC1=O)N1CCCC1=O 913731000 QLCPFOVHBPKLFV-SNVBAGLBSA-N 310.354 -0.843 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1n[nH]c2ccccc12 920827680 WGYVYKPWINYQGI-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)Cc1cccnc1 1116064318 RFRKDOIAAUDGKR-SECBINFHSA-N 314.367 -0.612 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)N1CCCC[C@@H]1C 1116187237 LJKCXKODVBAMCY-UWVGGRQHSA-N 300.359 -0.247 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNc1nncc(N)c1Cl 1116288236 BVVFIKVDRVQEKU-UHFFFAOYSA-N 322.778 -0.227 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)OC)cc1 1255507807 HMWJVCMQXKCMBF-UHFFFAOYSA-N 309.278 -0.656 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H]1CCOC1 1318200846 WKERTUHYKFFBOF-VIFPVBQESA-N 310.310 -0.624 50 20 DBGD O=C(CCO)NNC(=O)Nc1ncn(Cc2ccccc2)n1 1320279605 JHXNVLJYMYKUIW-UHFFFAOYSA-N 304.310 -0.139 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)CNC(=O)c1cccs1 1325204138 QSXCUOPQTJBJQX-UHFFFAOYSA-N 308.323 -0.634 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 1328701037 AEBHGJQNTWJDKA-NXEZZACHSA-N 316.427 -0.225 50 20 DBGD CSCCNC(=S)NNC(=O)c1c(CO)noc1C 1332889449 OJGPWVAXVFLTRJ-UHFFFAOYSA-N 304.397 -0.053 50 20 DBGD CCOCc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1337982077 XYDKMQNKDIMFNQ-UHFFFAOYSA-N 309.322 -0.309 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(CCOC)n1N 1339513421 QHSUGZODTWEKMD-SSDOTTSWSA-N 316.387 -0.781 50 20 DBGD O=C(CCC(=O)N1CCC(O)CC1)NNc1ncncc1F 1343998016 ONLPMYQOZQZWRO-UHFFFAOYSA-N 311.317 -0.178 50 20 DBGD O=C(NNC(=O)c1cccnn1)N[C@@H]1CCN(CC(F)F)C1 1349796946 TWFISIIFOOVISC-MRVPVSSYSA-N 314.296 -0.240 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)N1CCNCC1=O 1575072650 WLFLWIKCAPUPRZ-JTQLQIEISA-N 315.333 -0.860 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H](N)CC(F)F 1575217402 ZYHZWUYBOADQAN-LURJTMIESA-N 310.301 -0.359 50 20 DBGD NC(=O)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)[nH]1 1592735786 AGCOGZBITLGAJH-UHFFFAOYSA-N 313.281 -0.554 50 20 DBGD O=C(CN1CCOC1=O)NNc1ccc(-c2nn[nH]n2)cc1 1606549103 HCGTVJSATUVYKP-UHFFFAOYSA-N 303.282 -0.238 50 20 DBGD COc1ccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nc1 276007235 SRQJRWWIWODTGL-NXEZZACHSA-N 309.326 -0.251 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1)c1cccc([N+](=O)[O-])c1 276190890 UJGJWIVRNZGLCL-UWVGGRQHSA-N 323.261 -0.012 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 279891637 STLDRBIUWGPTLV-CQSZACIVSA-N 310.354 -0.400 50 20 DBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)NCc2ccccc2)O1 281511853 GTVOFGSCHYEJEB-GHMZBOCLSA-N 306.322 -0.450 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)CC2CC2)C1=O 294296230 WOUAGRYMNBYZBE-AWEZNQCLSA-N 308.338 -0.346 50 20 DBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)N1CCOCC1 299343337 FJCNLOFHFZFGRH-VIFPVBQESA-N 310.310 -0.529 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1 495637926 XCYAOBOKFFLQTP-QMMMGPOBSA-N 305.298 -0.150 50 20 DBGD Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 584913675 IAKFIBGRRVLCGL-TZMCWYRMSA-N 315.138 -0.184 50 20 DBGD C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584975938 GRCVFZLVHNUYNT-VIFPVBQESA-N 324.161 -0.119 50 20 DBGD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(B(O)O)cc1 584980311 WBHJXVJDMVUKHG-RTXFEEFZSA-N 302.139 -0.908 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)CC1 585000753 OSBQUKHFWFXSGL-XYPYZODXSA-N 304.155 -0.612 50 20 DBGD C[C@H](NCc1cccc(B(O)O)c1)C(=O)NCc1ccco1 585032877 PGTYBRNJNPHXKZ-NSHDSACASA-N 302.139 -0.246 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 728804628 RATQGNWSZGMFDL-SNVBAGLBSA-N 307.331 -0.741 50 20 DBGD O=C(CN1CCN(Cc2ccco2)CC1)NNC(=O)C1CC1 733193573 XLYZYWPMHUZLLO-UHFFFAOYSA-N 306.366 -0.045 50 20 DBGD COC[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccccc1 745316852 HXZADLUNNIXRCA-AWEZNQCLSA-N 310.306 -0.612 50 20 DBGD COCCCNC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 767721891 HDBDIQPMJVPJCA-SNVBAGLBSA-N 300.359 -0.388 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1nnnc1C(C)C 772164760 PXRRYSXNPAHRNB-QMMMGPOBSA-N 312.330 -0.714 50 20 DBGD CC1(C)OC[C@H](CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)O1 783274564 GTHNZVTVILSZFT-JOYOIKCWSA-N 321.399 -0.481 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cncc(OC)n1 790664731 WJQVXQASXRBCPQ-UHFFFAOYSA-N 309.326 -0.449 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc2c1nnn2C 801152819 IZEBGQUWAOXGRX-UHFFFAOYSA-N 300.282 -0.530 50 20 DBGD Cc1cc(C)nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 801615258 GTXCTKHDDWTBNM-SECBINFHSA-N 314.367 -0.603 50 20 DBGD O=C(NNC(=S)NCCc1cccs1)[C@]1(O)CCOC1 820165750 YHVKGQXMVCUUMT-LBPRGKRZSA-N 315.420 -0.063 50 20 DBGD C[C@H](CO)N(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 823971078 OGPJTUGMLMBLTH-LLVKDONJSA-N 315.395 -0.349 50 20 DBGD Nc1nc(Cl)ccc1C(=O)NNC(=O)C(=O)N1CCCC1 824877036 INZVCXMRYGWJMP-UHFFFAOYSA-N 311.729 -0.299 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826363673 XDEKIXMRTVCMTJ-UHFFFAOYSA-N 300.282 -0.392 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1sccc1-n1cnnn1 843647140 RVTJQHPMHDMAPU-SFYZADRCSA-N 322.350 -0.090 50 20 DBGD O=C(NNC(=O)c1cccc2nc(O)[nH]c12)C(=O)N1CCCC1 847411700 MCYBAPANORABFS-UHFFFAOYSA-N 317.305 -0.348 50 20 DBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)C(=O)NC1CC1 854291679 JEOJHZHQMSFGBX-NSHDSACASA-N 312.370 -0.647 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)S(N)(=O)=O 854377029 FWIQAANGARXFLU-VIFPVBQESA-N 315.355 -0.887 50 20 DBGD N#Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(F)c1 858698016 UHZHOOQZPCWLAF-LLVKDONJSA-N 319.296 -0.194 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1=O 862451685 PLPDCXQEDHDGOX-IUCAKERBSA-N 310.354 -0.941 50 20 DBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)c1 863462581 HHGCPAZHKMYLBA-UHFFFAOYSA-N 300.336 -0.191 50 20 DBGD CCOC(=O)N1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 863871781 BCYRRFQKNZOVNY-UHFFFAOYSA-N 320.154 -0.329 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCCC12OCCO2 869905524 NQJTWIFLUHXWKA-SNVBAGLBSA-N 302.327 -0.660 50 20 DBGD OB(O)c1cccc(CNC[C@@H](n2cncn2)C(F)(F)F)c1 877674292 JMLQPSTXEAHBRN-LLVKDONJSA-N 314.076 -0.149 50 20 DBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 899889505 FAARWACXGWHMEJ-JTQLQIEISA-N 314.367 -0.410 50 20 DBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(C#N)c1 1318327612 XBXUOJBKRUXDJD-UHFFFAOYSA-N 310.335 -0.453 50 20 DBGD O=C(NC[C@H]1CCS(=O)(=O)C1)NNc1nc2ccccn2n1 1321214330 XKSPUBWWPFWEDT-SECBINFHSA-N 324.366 -0.210 50 20 DBGD O=C(CSc1cccc[n+]1[O-])NNC(=O)N1CCOCC1 1324684557 ROZNXPLWUUWQIN-UHFFFAOYSA-N 312.351 -0.515 50 20 DBGD Cc1n[nH]c(C)c1CCC(=O)NNC(=O)C(=O)N1CCCC1 1324987018 MNLUKIABWJJSHI-UHFFFAOYSA-N 307.354 -0.271 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H](O)c1cnn(C)c1 1326027279 PTJNYBDIOYMDAX-GDPRMGEGSA-N 311.342 -0.791 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2ncncc2C1)C(=O)N1CCCC1 1326359464 SPIPZSGKKUBFDI-JTQLQIEISA-N 317.349 -0.649 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1329240238 SDBQBVPEADAWOG-UWVGGRQHSA-N 319.383 -0.657 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C(=O)NOC)CC1 1352944487 JMOOVCWTEXXWGR-SECBINFHSA-N 300.359 -0.678 50 20 DBGD CNS(=O)(=O)N1CCC(C(=O)N2CC=C(C#N)CC2)CC1 1412696110 UOYMPTHZZNDHSF-UHFFFAOYSA-N 312.395 -0.155 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1591003321 GBDOTYIMMHZFAX-UHFFFAOYSA-N 311.327 -0.669 50 20 DBGD Cc1c(C(=O)NNC(=O)NCC2(C(=O)O)CCC2)nnn1C 1594256612 GLVPMJGBGBLONB-UHFFFAOYSA-N 310.314 -0.678 50 20 DBGD CN1CCO[C@H](C(=O)NNc2cccc(F)c2C(=O)O)C1=O 1598623245 BORFBSLRNBRSII-SNVBAGLBSA-N 311.269 -0.176 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(C(=O)O)no2)ccc1=O 1600932867 UOXWBFPVUGBKAP-UHFFFAOYSA-N 306.234 -0.854 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@]1(CC(=O)O)CCOC1 1609690447 FAPPWBUSXZVKKV-IINYFYTJSA-N 315.370 -0.208 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 113428110 NEJOTSPVKIDDJT-CYBMUJFWSA-N 318.377 -0.256 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(Cc2cccs2)nn1 175946220 WTZPEVZYQGXWEX-UHFFFAOYSA-N 308.367 -0.290 50 20 DBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)C(=O)NC(CC)CC 265865306 HNNQKZDMELNADS-SECBINFHSA-N 315.374 -0.724 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 276590211 GKHOTCTUQAIJRP-LLVKDONJSA-N 319.321 -0.753 50 20 DBGD COCCOc1ccc(CC(=O)NNC(=O)CN(C)C)cc1 277359075 UTRHJRYGFYMWAF-UHFFFAOYSA-N 309.366 -0.037 50 20 DBGD COC(=O)NCCCC(=O)NNC(=O)N1CCN(C)CC1 278522436 CEWCWPVIMPGLAW-UHFFFAOYSA-N 301.347 -0.889 50 20 DBGD COCCN(C)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 294394132 MXIRNURAXQXPPA-UHFFFAOYSA-N 320.349 -0.039 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](n2cccn2)C1 584991670 FUAOZKVEGVLUBM-LLVKDONJSA-N 303.102 -0.211 50 20 DBGD OB(O)c1ccc(CN[C@H]2CCCN(c3ncccn3)C2)o1 585017408 WRHQSEAKHUFTKN-NSHDSACASA-N 302.143 -0.492 50 20 DBGD CN1C(=O)[C@@H](NCc2ccc(B(O)O)o2)Cc2ccccc21 585047922 XSQHYBZFTDBKHA-LBPRGKRZSA-N 300.123 -0.363 50 20 DBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CC[C@@H](B(O)O)C1 585071539 VBAHISHKIKPTAF-SNVBAGLBSA-N 316.122 -0.252 50 20 DBGD C[C@@H](C#N)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 735833750 AELAVFOJBGTUFE-VIFPVBQESA-N 324.362 -0.142 50 20 DBGD Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 739034145 KLBMOUFTYCQJJL-VIFPVBQESA-N 322.369 -0.258 50 20 DBGD O=C(NNS(=O)(=O)N1CCCC1)c1ccc2c(c1)OCO2 742026120 YNHYVBWUEDZGFD-UHFFFAOYSA-N 313.335 -0.010 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(CCN2CCOCC2)cc1 756166586 WRLCHGSYODOCSS-UHFFFAOYSA-N 322.365 -0.294 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CN1CCN(C)C(=O)C1 763234383 UJIQVXJMQDGOFS-UHFFFAOYSA-N 304.350 -0.470 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnc2ccccc2c1 764212052 PBHLZAPMCBZZHH-UHFFFAOYSA-N 315.333 -0.118 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C[C@@H](OC)C2 764300711 WDYWEFUVPCAMDV-LBPRGKRZSA-N 321.333 -0.468 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1nc[nH]n1 772185955 KLKAIWJKEOZVIX-SECBINFHSA-N 311.342 -0.138 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778434304 YXVJIOJHXZXHTG-UHFFFAOYSA-N 316.358 -0.425 50 20 DBGD C[C@H]1COC(=O)C1=NNC(=O)CSc1nnc(O)nc1O 794886014 DCNKOUPXPNIBMA-BYPYZUCNSA-N 313.295 -0.960 50 20 DBGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(C)=O)c1 800596742 PSSBDZCRIUQMTI-UHFFFAOYSA-N 307.310 -0.665 50 20 DBGD COCCN(C)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 808074816 LHZZHDAWJYIWAI-UHFFFAOYSA-N 312.370 -0.150 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1ccccc1F)C(N)=O 810828687 FCIFPAPHFZOQOZ-UHFFFAOYSA-N 304.303 -0.854 50 20 DBGD O=C(NCCCN1C(=O)CNC1=O)NNc1ncncc1F 814298545 WITPGKKHESPVPH-UHFFFAOYSA-N 311.277 -0.816 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnc(N(C)C)nc1 814762597 DTSLBHGZBYTTPL-LBPRGKRZSA-N 320.397 -0.039 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)CC2CC2)cc1 819144566 NQHKZVJNNUDSTN-UHFFFAOYSA-N 311.363 -0.176 50 20 DBGD CCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 821073043 XVWQBMZNGPCVSM-UHFFFAOYSA-N 306.330 -0.051 50 20 DBGD C[C@@H](CO)N(C)NC(=O)Cc1csc(N2CCOCC2)n1 823927552 ANEMBGDZECJKDI-JTQLQIEISA-N 314.411 -0.134 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 845085067 SCKSRTWRAQKFLH-LLVKDONJSA-N 311.363 -0.298 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=S)N[C@H](C)C2CC2)nn1 855097979 CEYISBWRHGPAEV-SFYZADRCSA-N 312.399 -0.375 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(Cn2ccnn2)cc1 861205843 LXBOSIXQNNAIFZ-UHFFFAOYSA-N 303.322 -0.142 50 20 DBGD O=C(CCNC(=O)OCC(F)(F)F)NNC(=O)c1cn[nH]c1 862474062 DYKZJUSTNRGOGJ-UHFFFAOYSA-N 323.231 -0.151 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccc(F)cc1 863459627 PWWNJBJPOFMWID-UHFFFAOYSA-N 302.327 -0.050 50 20 DBGD COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(B(O)O)cc1)C2 863884787 CNRUKBOOLOOJOA-DDTOSNHZSA-N 317.150 -0.220 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C1CCC(N2CCOCC2)CC1 907624207 BMEGFDZTMQNNFR-UHFFFAOYSA-N 313.398 -0.204 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N[C@@H](CO)CN2CCCC2)cn1 908200870 BHDHPAUALDLXOJ-YGLIYXGISA-N 303.366 -0.100 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)cc1OC 914709159 NYNOEPFSIRLRSE-SNVBAGLBSA-N 321.333 -0.057 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cnc[nH]1 1116099566 YJNXWFFFFSSXDX-UHFFFAOYSA-N 320.334 -0.011 50 20 DBGD NC(=O)C[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1 1117534186 OQAFHPNLGWLBSM-LLVKDONJSA-N 305.338 -0.438 50 20 DBGD CO[C@]1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCOC1 1118185976 AIRWTSOZXAERNE-NRUUGDAUSA-N 301.343 -0.453 50 20 DBGD CN(C)c1ccnc(CNC(=O)NNC(=O)C2CCNCC2)c1 1120648463 LHRHMUDTAYZMIX-UHFFFAOYSA-N 320.397 -0.022 50 20 DBGD COc1ccc(NC(=S)NNC(=O)C(=O)NC(C)C)cn1 1318205959 WYUVVLCXXWNIFU-UHFFFAOYSA-N 311.367 -0.068 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCN1C 1318838436 QJHUGDNUWSLNJV-NTZNESFSSA-N 318.443 -0.150 50 20 DBGD O=C(NNS(=O)(=O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1323533951 QYBZHTPGDLGPIE-ZETCQYMHSA-N 324.405 -0.508 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 1328699121 CKSZZXZPUIUWLZ-LLVKDONJSA-N 322.369 -0.371 50 20 DBGD Cc1c(C(=O)NNC(=O)CS(C)(=O)=O)cnn1C(C)C 1331835224 YLTVKNYUMGKGBH-UHFFFAOYSA-N 302.356 -0.422 50 20 DBGD COC1CC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 1334891320 VNTKASYTEXUSEE-UHFFFAOYSA-N 316.321 -0.152 50 20 DBGD O=C(NNC(=O)c1occ2c1CCOC2)C(=O)N1CCCC1 1342282214 IUCJPPHFEKPLAI-UHFFFAOYSA-N 307.306 -0.264 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1ccccn1 1351152399 JCOGBQQQFXJWSO-YPMHNXCESA-N 303.366 -0.840 50 20 DBGD COCCOCC(=O)NNC(=O)C1(C(=O)O)CCCCC1 1574163655 WFNQIWURQNDTCF-UHFFFAOYSA-N 302.327 -0.168 50 20 DBGD C[C@@H]1CC2(CCNCC2)CN1C(=O)c1ccc(B(O)O)cc1 1576637143 GMQMZSIMFYIUKX-GFCCVEGCSA-N 302.183 -0.029 50 20 DBGD CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)NCC(=O)O 1606667921 DQTJOCJWJATCJJ-MRVPVSSYSA-N 311.360 -0.734 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)o1 49279206 YONKSRNVTPYNNW-UHFFFAOYSA-N 304.328 -0.458 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCN2CCOCC2)c(O)c1 57449239 VQDUHHAOJHNTAX-UHFFFAOYSA-N 322.365 -0.023 50 20 DBGD CS(=O)(=O)c1nc(C(=O)NNC(=O)C2CC2)c2ccccn12 66307023 VXZVMNGYZWJCQM-UHFFFAOYSA-N 322.346 -0.091 50 20 DBGD CCN1CCO[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 183789209 XDFKFOKIHGLPCR-SSDOTTSWSA-N 300.750 -0.124 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC(=O)N(C)C2)n1 267502375 NHIGIGWQXGAIFM-SNVBAGLBSA-N 308.342 -0.939 50 20 DBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 268246508 NXOFJJYOHKNVDK-BDAKNGLRSA-N 321.337 -0.002 50 20 DBGD COc1ccc(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nc1 276007239 SRQJRWWIWODTGL-UWVGGRQHSA-N 309.326 -0.251 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C[C@H](NC(N)=O)c1cccs1 276254371 MMKKUFHHVXKLSI-ZETCQYMHSA-N 314.367 -0.234 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCCC(N)=O 280259023 NPNDKCFNVTYDNS-QMMMGPOBSA-N 316.358 -0.297 50 20 DBGD NC(=O)C1=NO[C@@H](CNC(=O)NNc2ccc(Cl)nc2)C1 298046334 SDFUOYNULCDRSG-SSDOTTSWSA-N 312.717 -0.009 50 20 DBGD COCCOCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494639293 FATWFEFMAMFNRK-UHFFFAOYSA-N 305.331 -0.679 50 20 DBGD COC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 495449805 ZRNJNNZTTGOIRP-UHFFFAOYSA-N 318.289 -0.355 50 20 DBGD COC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 496329643 TWAYOJCLXSPIEH-UHFFFAOYSA-N 305.287 -0.509 50 20 DBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)CN1CCCC1 584931580 AGBQZGYUNITGBK-NSHDSACASA-N 308.162 -0.033 50 20 DBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@]1=O 584982612 LRUQNODEBYCQMH-JLTPVHFHSA-N 313.159 -0.511 50 20 DBGD CN1CC[C@@]2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 584995020 HGJPRIBTFKHIFF-INIZCTEOSA-N 302.183 -0.076 50 20 DBGD C[C@H](CCN1CCN(C)CC1)NCc1ccc(B(O)O)cc1 585036795 PPOIKNNWELGJED-CQSZACIVSA-N 305.231 -0.518 50 20 DBGD O=C(NCC(F)F)NNC(=O)c1ccc(-n2cnnn2)cc1 752001157 YHWAJSWRDONXHG-UHFFFAOYSA-N 311.252 -0.129 50 20 DBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(C(N)=O)nn1 757404312 ORNQEUHTVZEMEI-BDAKNGLRSA-N 309.326 -0.397 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H](O)c1cccc(F)c1 772565095 DCEAVCYLUNJUTE-NSHDSACASA-N 311.313 -0.079 50 20 DBGD COc1cccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 790162699 VIDKMRZDOJRZPX-MRVPVSSYSA-N 300.340 -0.522 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)S1(=O)=O 810112030 HDZMDYLOAXQYIG-RKDXNWHRSA-N 303.384 -0.949 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CC1CC1)N1CCCS1(=O)=O 819118390 TXGBOMQXPBQRSM-GFCCVEGCSA-N 317.411 -0.006 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826148124 ZTGXGICYCCWJLE-UHFFFAOYSA-N 319.325 -0.585 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CNC(=O)O 833442516 PNZYHJCVNFPFMK-UHFFFAOYSA-N 304.303 -0.684 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1 841375492 GSJSQLCICXPNIH-UFBFGSQYSA-N 318.289 -0.419 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 858697578 UDTDXXDOMKQTSF-IUCAKERBSA-N 310.310 -0.424 50 20 DBGD COc1cc(C#N)ccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860940571 DQOQTTWQFFQTMU-SNVBAGLBSA-N 317.305 -0.002 50 20 DBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862456309 OFYPQDVMOKXSDO-AEJSXWLSSA-N 311.338 -0.608 50 20 DBGD CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862457416 IWTVBRBGHHQYQM-SNVBAGLBSA-N 320.305 -0.610 50 20 DBGD O=C(Cc1ccc(F)cc1[N+](=O)[O-])NNC(=O)[C@H]1CCC(=O)N1 862463570 HPYPACNFZCEASB-SECBINFHSA-N 324.268 -0.298 50 20 DBGD COC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCCCC1 863871330 JIEAXHHTODMBGT-UHFFFAOYSA-N 305.139 -0.028 50 20 DBGD COC(=O)NC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863885871 PHDVGQDPSUXGPG-UHFFFAOYSA-N 306.127 -0.673 50 20 DBGD C[C@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C[C@H]1Br 913366613 JOEJLLXJZUFPQI-PULFBKJNSA-N 312.185 -0.566 50 20 DBGD CCn1cc(C(=O)NN(C)C(=S)NCCCOC)nn1 929425848 BXZQNMGNBPZDOD-UHFFFAOYSA-N 300.388 -0.214 50 20 DBGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 1326282826 JVBHAMKLQRKYJT-UHFFFAOYSA-N 320.305 -0.099 50 20 DBGD CCn1nncc1CNC(=O)NNC(=O)c1cccc(F)n1 1329189733 CFCFOKVRVKGOAY-UHFFFAOYSA-N 307.289 -0.024 50 20 DBGD CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1330029892 WVJFJWLQFYSAFV-DCAQKATOSA-N 312.370 -0.201 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CN2CCCC2=O)c1C(F)F 1332706470 GPPYSAIQWOZBDN-UHFFFAOYSA-N 315.280 -0.259 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCC(=O)OC(C)(C)C 1345749680 ALTGBSQCLXPWTQ-UHFFFAOYSA-N 303.315 -0.388 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1c[nH]nc1-c1ccccn1 1347467033 LHQDHXYEORSQNA-UHFFFAOYSA-N 316.321 -0.243 50 20 DBGD CN(C)C(=O)CCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1347526611 BYXMABVPEFKFDT-LLVKDONJSA-N 319.427 -0.263 50 20 DBGD O=C(NC[C@H]1CNCCC1(F)F)NNC(=O)c1ncccn1 1580664716 ZSUZFONMNFGMAW-MRVPVSSYSA-N 314.296 -0.335 50 20 DBGD COC[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591374619 FKSCSYDMJBWZRS-QMMMGPOBSA-N 319.325 -0.154 50 20 DBGD CCC(=O)NNC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1 1594712460 NHJWRPUERMJKSY-UHFFFAOYSA-N 322.321 -0.007 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)c2ncon2)c1 1595122540 OEQLNNSMHJJPEO-UHFFFAOYSA-N 306.234 -0.392 50 20 DBGD CC[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)C(=O)O 1595197787 BWTCCJCVORUWPN-YFKPBYRVSA-N 301.221 -0.241 50 20 DBGD O=C(O)c1ccc(NC(=O)c2cc(B(O)O)ccc2F)nc1 1595237119 QKUZTRDFLPVWRI-UHFFFAOYSA-N 304.042 -0.149 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(C(=O)O)c(F)c2)N1 1602637786 HLACJHZOWTYLJG-SECBINFHSA-N 324.268 -0.045 50 20 DBGD Cc1oc(CNC(=O)c2cccc(B(O)O)c2)cc1C(=O)O 1608047798 DZMLWUXKDMAIQN-UHFFFAOYSA-N 303.079 -0.104 50 20 DBGD CNC(=O)CN1CCC(NS(=O)(=O)CCCCl)CC1 37843187 ANEJCPGDFCWGKO-UHFFFAOYSA-N 311.835 -0.255 50 20 DBGD CNC(=O)NNS(=O)(=O)CCOc1ccc(OC)cc1 265989947 ADBINGBFNFRHFE-UHFFFAOYSA-N 303.340 -0.163 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CSc1nnnn1C1CC1 276296182 SGLSNVSDZBOXFE-UHFFFAOYSA-N 300.344 -0.982 50 20 DBGD COC(=O)COCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 287284957 MCNSKPFBTLKSAP-UHFFFAOYSA-N 311.250 -0.455 50 20 DBGD COC(=O)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 490634461 XCSGJSAFKCLFQS-UHFFFAOYSA-N 306.278 -0.261 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N1CCCCC1 584945154 WBWHDMROARAATO-NSHDSACASA-N 304.155 -0.503 50 20 DBGD C[C@H]1OCC[C@]12CN(C(=O)c1cc(B(O)O)ccc1F)CCO2 584985909 SECCSFSMWCDKPT-BMIGLBTASA-N 323.129 -0.475 50 20 DBGD Cc1nnc(NC(=O)c2cc(B(O)O)ccc2F)n1C1CC1 584993147 GQZMWJBZGVWNEW-UHFFFAOYSA-N 304.090 -0.007 50 20 DBGD COCCOC1(CNCc2ccc(B(O)O)o2)CCOCC1 585043565 OAPPBQSNVQBIJG-UHFFFAOYSA-N 313.159 -0.739 50 20 DBGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCB(O)O 585056443 VWWJSFURAAVLSY-UHFFFAOYSA-N 311.494 -0.934 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CCn1cc[nH]c(=O)c1=O 726869312 OTIBHIXCUQWOGS-UHFFFAOYSA-N 316.317 -0.304 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc2c(O)nc(S)nc2c1 727761581 QAMGWFYJEHHGHI-UHFFFAOYSA-N 321.362 -0.053 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)c2c(O)nn(C)c2n1 729457438 GXEIYMLUBNSQIH-UHFFFAOYSA-N 316.281 -0.825 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1cccnc1 735836411 GCTJKLBDEUEBDY-UHFFFAOYSA-N 314.367 -0.486 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)CC(C)(CO)CO 759169439 WUAOSISVTOMVCQ-UHFFFAOYSA-N 309.366 -0.630 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(O)nc1 764342196 DHEXTNWZDDPMHS-UHFFFAOYSA-N 315.289 -0.627 50 20 DBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1ccc(F)c([N+](=O)[O-])c1 771596601 MHJHCKWPBMXHAC-ZETCQYMHSA-N 311.229 -0.225 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 772632040 VESHRAWZURWZIW-SNVBAGLBSA-N 305.400 -0.150 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1-n1ccnn1 785064060 BVKBUOCBAWWKQR-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD O=C(CSc1ccc(-c2nn[nH]n2)cn1)NNC(=O)C1CC1 823066024 JAXHUGJYGGFVDZ-UHFFFAOYSA-N 319.350 -0.089 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 823928272 LYICGKQJZVKGDB-MEDUHNTESA-N 321.377 -0.263 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)c2ccccc2O)C1=O 824794823 WZVGAICATTXCLL-VIFPVBQESA-N 320.305 -0.516 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1 826045224 RYBQCPNRLKBODG-NSHDSACASA-N 303.326 -0.360 50 20 DBGD C[C@@]1(NNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCS(=O)(=O)C1 845443963 XXOPZFLHBFLKLU-MWGHHZFTSA-N 303.384 -0.313 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@@]1(O)CCCOC1 845721435 CSSYJFBYSNCHHJ-MJVIPROJSA-N 315.370 -0.327 50 20 DBGD C[C@@H](CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NC(N)=O 847280738 GDPWAHAZSWVCJX-ZETCQYMHSA-N 309.282 -0.197 50 20 DBGD CCOC(=O)Cn1ccc(NC(=O)NNC(=O)CCCN)n1 848597769 CENHOXPVBRKOSQ-UHFFFAOYSA-N 312.330 -0.662 50 20 DBGD Cc1ccn2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c2c1 862458041 WHWZJQITPQEQJP-SNVBAGLBSA-N 301.306 -0.318 50 20 DBGD CN(C)C(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 863379225 QZYSAXQWBSVTAK-DGCLKSJQSA-N 304.350 -0.285 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 918556825 NQELJMIEKQEJBN-JTQLQIEISA-N 310.354 -0.797 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCOC2)cc1 921151605 VGJAIWMQFOYKAU-JTQLQIEISA-N 312.347 -0.112 50 20 DBGD C[C@@]1(CNS(=O)(=O)N2CCNCC2)C[C@H]1Br 923657776 AAJYMPCXFGWZON-BDAKNGLRSA-N 312.233 -0.101 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)COc1ccccc1O 1116215923 HROHAFLLDQXKPO-UHFFFAOYSA-N 305.294 -0.331 50 20 DBGD O=C(NNC(=O)C1CCSCC1)N[C@@H]1CCS(=O)(=O)C1 1251808284 YYPSOXWQYSHVPJ-SECBINFHSA-N 321.424 -0.353 50 20 DBGD COCCOc1cc(C(=O)NNc2nccn(C)c2=O)ccn1 1254246919 UKBXBUVHLMGYJJ-UHFFFAOYSA-N 319.321 -0.043 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCN1C 1318838425 QJHUGDNUWSLNJV-MDZLAQPJSA-N 318.443 -0.150 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1319077291 RYAICLARBKJSEE-MRVPVSSYSA-N 310.383 -0.334 50 20 DBGD Cn1c(=O)oc2c(C(=O)NNC(=O)C(=O)NC3CC3)cccc21 1319732642 IZTUCAKWFCPHBI-UHFFFAOYSA-N 318.289 -0.829 50 20 DBGD C=CCNC(=S)NNC(=O)c1cc(S(N)(=O)=O)oc1C 1321141439 WAJZCEVMHISEFK-UHFFFAOYSA-N 318.380 -0.470 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 1322304091 KXVQJAWXPWMUDX-UHFFFAOYSA-N 320.305 -0.079 50 20 DBGD COCCOCC(=O)NNC(=O)c1sc(N(C)C)nc1C 1335741898 OMIHCIKQGLPIGJ-UHFFFAOYSA-N 316.383 -0.058 50 20 DBGD Cn1cnnc1SCC(=O)NNC(=O)Cc1ccncc1 1336039648 QTLOCJUKEFKEIS-UHFFFAOYSA-N 306.351 -0.308 50 20 DBGD C[C@]1(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)CCS(=O)(=O)C1 1347558960 XXOPZFLHBFLKLU-XNDJQWLSSA-N 303.384 -0.313 50 20 DBGD O=C(CCCc1cnn[nH]1)NNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 1577866496 STEKDVPADWQVKC-JMJZKYOTSA-N 305.338 -0.110 50 20 DBGD O=C(NNc1nc2ccccn2n1)[C@@]1(F)CNCC12COC2 1580743113 QLGKURRQALXTAI-ZDUSSCGKSA-N 306.301 -0.500 50 20 DBGD CN(C)N(C(=O)[C@H]1C[C@@H](C(=O)O)C1)[C@H]1CCS(=O)(=O)C1 1598257976 WCPZYLPIUJADEF-AEJSXWLSSA-N 304.368 -0.411 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)CC1 1598609035 JQDRQYRJSXRHKB-UHFFFAOYSA-N 306.322 -0.013 50 20 DBGD Cc1c(C(=O)O)cccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1599996756 HEFHTQIMYOCJDO-SECBINFHSA-N 313.140 -0.069 50 20 DBGD Cc1cc(CC(=O)NNC(=O)Cn2cc(C(=O)O)cn2)n[nH]1 1600186975 CZEBPLHYVZXTOU-UHFFFAOYSA-N 306.282 -0.997 50 20 DBGD Cn1nnc(CNC(=O)NNc2cccc(C(=O)O)c2F)n1 1601040831 RHLHVNONTWSMAD-UHFFFAOYSA-N 309.261 -0.126 50 20 DBGD O=C(O)Cc1csc(NC(=O)NNC(=O)c2cc[nH]n2)n1 1602153105 NCFNEIKALHDBGJ-UHFFFAOYSA-N 310.295 -0.040 50 20 DBGD C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNC(=O)C(=O)O 1604154306 YZXQIHAYZCYBHX-SSDOTTSWSA-N 318.330 -0.343 50 20 DBGD COc1cc(C(=O)O)ccc1S(=O)(=O)NNC(=O)N(C)C 1607143191 OXNCMGAYQWSZEK-UHFFFAOYSA-N 317.323 -0.142 50 20 DBGD C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1800454955 UIWRRTSFHGHQTA-LSCVPOLPSA-N 314.769 -0.537 50 20 DBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl)C(O)O 1802342833 TZOQSBNGVKJNIR-KVSKUHBBSA-N 311.165 -0.261 50 20 DBGD COC(=O)NCC(=O)NNC(=O)NCCc1cccs1 49167082 JZQRRDULSCDZDQ-UHFFFAOYSA-N 300.340 -0.023 50 20 DBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)C1CC1 263865103 VLFWMTYXOVLBCR-UHFFFAOYSA-N 303.365 -0.409 50 20 DBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)OC)cn1C 273601654 JQLVOJOKYINNPF-UHFFFAOYSA-N 305.312 -0.249 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1 279643004 WVDKOGZAXPRFTJ-UHFFFAOYSA-N 307.331 -0.104 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(OC)nc1 285108093 MGZHZKUHRRDXHM-UHFFFAOYSA-N 318.355 -0.381 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 291987375 VMKJPIANQOJISL-HNNXBMFYSA-N 320.349 -0.226 50 20 DBGD COC(=O)N(C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 495761225 JGWRGIIBFBKWOI-UHFFFAOYSA-N 309.278 -0.126 50 20 DBGD Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(B(O)O)c(F)c1 584960107 HGOVFKBBYGWRSI-GFCCVEGCSA-N 318.117 -0.330 50 20 DBGD C[C@@H](C(=O)N1CC[C@H](B(O)O)C1)N1C(=O)NC2(CCCC2)C1=O 585067882 WKWMTWFTMGFSTI-UWVGGRQHSA-N 323.158 -0.685 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)NCc1ccco1 727279890 YLANKXLIIDRATB-UHFFFAOYSA-N 313.383 -0.018 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)C(=O)N1CCCC1 748150880 FKDKGSBTGAZGEZ-UHFFFAOYSA-N 316.383 -0.943 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@@H]1CCCCO1 758040721 RHCPEFFAEPUROX-UWVGGRQHSA-N 321.399 -0.579 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)N2CCOCC2)n1 779752444 MJKCIPIVBVLLMS-UHFFFAOYSA-N 312.330 -0.859 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N)cn1 787005867 VJNVGHJGEDERPM-UHFFFAOYSA-N 304.266 -0.015 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc3nccn23)CC1 788167129 VTULBLXYJMMGLQ-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD CCOC(=O)C1(CC(=O)NNC(=O)C(=O)NC2CC2)CCC1 789153961 ZKNGKXHQJSWBEZ-UHFFFAOYSA-N 311.338 -0.464 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CCS(=O)(=O)CC2)n1 793220799 QHCUIEZBKJCZOK-UHFFFAOYSA-N 312.351 -0.525 50 20 DBGD CNC(=O)NCCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 795638528 NSGANBRQEBFHQO-VIFPVBQESA-N 316.358 -0.569 50 20 DBGD Cc1c[nH]nc1C(=O)NNC(=O)CNC(=O)c1cccnc1 799421613 OVEYEXFQFBRLBM-UHFFFAOYSA-N 302.294 -0.696 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)CC2 813574449 YYWRMGDRMDAJIJ-SECBINFHSA-N 315.337 -0.410 50 20 DBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNc2nc[nH]n2)c1 816632174 XDDKCRGUJZWYLP-UHFFFAOYSA-N 310.339 -0.188 50 20 DBGD CNC[C@@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 851683143 ZFDSYDFGWKLUQR-SSDOTTSWSA-N 311.298 -0.148 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](C2CC2)O1 858699263 NFPMSPBARZXCBB-MIMYLULJSA-N 310.354 -0.495 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNC(=O)c1cc(C)cs1)C(N)=O 862476846 ZDQCZHVGOKMNPI-QMMMGPOBSA-N 312.351 -0.802 50 20 DBGD CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CS(C)(=O)=O)c1C 863456941 AAZVETZBELDEDO-UHFFFAOYSA-N 315.351 -0.360 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 874194654 GFGSSTBCEFCZOG-SNVBAGLBSA-N 300.359 -0.388 50 20 DBGD CN(NC(=O)c1cn(C)nc1I)C(N)=O 907186016 JSEFOXVOLDCVEC-UHFFFAOYSA-N 323.094 -0.320 50 20 DBGD C[C@]1(C(=O)NC[C@@H](O)Cn2ccnn2)C[C@H]1Br 909915435 SRHJYCZPHAGYKS-MRTMQBJTSA-N 303.160 -0.071 50 20 DBGD CCC1(O)CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1118805292 ATFNOLQJWXGZFN-OPASDULOSA-N 312.370 -0.321 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cnn3ccccc23)N1 1261790108 ANNNFMVENDODEX-SNVBAGLBSA-N 316.321 -0.557 50 20 DBGD Cc1nc(Cn2nnc(C(=O)NNC(=O)C(C)C)c2C)no1 1320884793 GTJYRXSKKKCDOM-UHFFFAOYSA-N 307.314 -0.257 50 20 DBGD C=C[C@@H](COC)NC(=O)NNc1nc(O)c2cnn(C)c2n1 1321256205 FZVCERILZMQESW-ZETCQYMHSA-N 307.314 -0.104 50 20 DBGD COc1ccc(NC(=O)C(=O)NNc2cccnn2)c(OC)n1 1326089557 HPJKWSTVRLVQMC-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD O=C(NCC(=O)N1CCCCC1)NNC(=O)C1CCOCC1 1333148381 AWLXMVWENYCIAY-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD CSCCNC(=S)NNC(=O)CN1CCC(CO)CC1 1337156003 HIPCMCRUUTYJIL-UHFFFAOYSA-N 320.484 -0.451 50 20 DBGD CC1=C(C(=O)NNC(=S)NC(C)C)[C@@H](C)n2nnnc2N1C 1349777001 IOIQKINNJOHLGL-MRVPVSSYSA-N 324.414 -0.138 50 20 DBGD CCOc1cccc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 1597164011 UYYZYPWCSPYQEN-UHFFFAOYSA-N 317.323 -0.338 50 20 DBGD COC1(C(=O)NNc2ccc(C(=O)O)cn2)CS(=O)(=O)C1 1599063320 HUSQPHNXBOWVJT-UHFFFAOYSA-N 315.307 -0.964 50 20 DBGD O=C(CNC(=O)c1ccco1)NN=Cc1cc(C(=O)O)no1 1601323670 CCATZNGABAACBQ-UHFFFAOYSA-N 306.234 -0.154 50 20 DBGD O=C(CN[C@@H](Cc1cncs1)C(=O)O)NNC(=O)C1CC1 1601324469 XFDYLGRDHNTHKB-VIFPVBQESA-N 312.351 -0.714 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](O)C[C@@H]1C(=O)O 1603762069 WYNDQPGXUXZLLG-OPRDCNLKSA-N 301.343 -0.912 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1ccccc1[N+](=O)[O-] 49065725 HMQNYFIYGMYGEB-UHFFFAOYSA-N 302.312 -0.023 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)CN1CCCC1=O 173890988 CKBHUNIXCPHQJU-UHFFFAOYSA-N 315.333 -0.353 50 20 DBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 298812380 JTSSGCDLOHWEHO-JTQLQIEISA-N 312.370 -0.551 50 20 DBGD Cc1nnnn1-c1cc(NC(=O)NNC(=O)CO)ccc1F 370373075 BHMAINCUSHGLID-UHFFFAOYSA-N 309.261 -0.745 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 584965941 WHCZZLADPSRJHL-GHMZBOCLSA-N 317.072 -0.106 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)c2cc(B(O)O)ccc2F)n1 584973252 FBTNKZFIXPMUBS-SECBINFHSA-N 321.117 0.162 50 20 DBGD CO[C@H]1COCC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584999991 VSWBMPVRDFLPCU-MFKMUULPSA-N 311.118 -0.713 50 20 DBGD CN1CC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC1=O 585048597 BFDLROBFOFZVFY-JTQLQIEISA-N 301.111 -0.248 50 20 DBGD CN1C(=O)C[C@@H](C(=O)NCB(O)O)[C@@H]1c1cccc(Cl)c1 585059334 JSNMIQTZDIHWND-PWSUYJOCSA-N 310.546 -0.012 50 20 DBGD O=C(NNC(=O)c1cnsn1)c1cccc(-c2nn[nH]n2)c1 738134249 HWUCETFAYXCXHN-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD CCN(CC(=O)NC)CC(=O)NNC(=O)c1ccc(C#N)cc1 764201368 JYGSELISXRVKES-UHFFFAOYSA-N 317.349 -0.613 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2ncccc2c1 764204018 HFCDFLABNVSBDH-UHFFFAOYSA-N 315.333 -0.118 50 20 DBGD CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CO)c1C1CC1 764428910 MUVQCTZIGYJVAK-QMMMGPOBSA-N 323.353 -0.190 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)NCC2CC2)c1 788493364 UCLSPQRJJFFHDH-UHFFFAOYSA-N 321.333 -0.009 50 20 DBGD CN(C)CC(=O)NNC(=O)C1CCC(NC(=O)C2CC2)CC1 795070089 AYHQXDBVSPNTIH-UHFFFAOYSA-N 310.398 -0.220 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1ncccc1F 805273787 YYYAGAVGWBVBPV-UHFFFAOYSA-N 307.289 0.000 50 20 DBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)[C@H]1COc2ccccc2O1 816813946 CPWJIJXOBVLGIX-BXKDBHETSA-N 319.317 -0.358 50 20 DBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1 827185138 NAYDILVTNUHJOY-QWRGUYRKSA-N 318.333 -0.074 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)cc1)C1CCOCC1 829736060 XWRWQKBEFUIGLH-UHFFFAOYSA-N 307.155 -0.366 50 20 DBGD CCNC(=O)N(C)NC(=O)c1oc(S(N)(=O)=O)cc1C 831853514 AZROJRRZEVGOOW-UHFFFAOYSA-N 304.328 -0.458 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 843978913 ZDHDLMPWXUCDAP-SKDRFNHKSA-N 321.333 -0.263 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1=O 845482833 ILGZSQGDXQZJRW-VWYCJHECSA-N 312.370 -0.390 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c(OC)c1 847451648 LSDOJMQYWAYCFT-UWVGGRQHSA-N 321.333 -0.024 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)CC2 854383172 XTUDYSWHXLCEAU-GFCCVEGCSA-N 320.397 -0.258 50 20 DBGD Cc1nn(CC(=O)NNC(=O)OCC(F)(F)F)c(=O)n1C 856026206 QLCKKYXDSCPYPW-UHFFFAOYSA-N 311.220 -0.790 50 20 DBGD COC1(OC)CCOC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 931673106 NVZRQWQZZCRXJY-JTQLQIEISA-N 317.386 -0.453 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C2CC2)cc1 1116711849 FAHPTKMGDDGJLS-UHFFFAOYSA-N 305.290 -0.177 50 20 DBGD CN(C)c1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1118799221 ODHXGTQQFORBBN-JTQLQIEISA-N 320.353 -0.743 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(CC#N)c1 1256376792 ORDIOEFMVLJFDP-UHFFFAOYSA-N 324.362 -0.413 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2CC[C@H](N)C2)C[C@H]1Br 1261772291 UVRQCBSSYQBTND-RNSXUZJQSA-N 304.188 -0.164 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)Cc1cccnc1 1318502684 LISHWSVXOAPOPR-UHFFFAOYSA-N 320.349 -0.590 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(NC(C)=O)cc1 1318943099 UCKMSKYWMTZOBM-UHFFFAOYSA-N 308.294 -0.352 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1319878270 JSIAVJOUVMSPKJ-LURJTMIESA-N 307.314 -0.573 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)C1CCC1 1321719181 XXMMTBDHJHLBLZ-VIFPVBQESA-N 306.409 -0.146 50 20 DBGD CCOCCCCNC(=O)NNC(=O)C(=O)N1CCCC1 1322197738 RAFWLXWSKIGELW-UHFFFAOYSA-N 300.359 -0.244 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ncn(C)n1 1324288199 HRANOXFPTVNCJU-UHFFFAOYSA-N 316.321 -0.548 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 1327544465 NUCYIZCTTHECKO-UHFFFAOYSA-N 308.342 -0.072 50 20 DBGD CC(C)N1CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1329141883 SFIJDRYWJMYKSU-NSHDSACASA-N 311.386 -0.532 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(C3OCCO3)c2)N1 1330109245 UJZCQRQMLJTNHA-LLVKDONJSA-N 319.317 -0.228 50 20 DBGD CC(C)OCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331532477 IHNANVWBFMKLFK-SNVBAGLBSA-N 300.359 -0.199 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C(=O)c1cnn(C)c1 1350530220 OLQDJOBTQASPTJ-UHFFFAOYSA-N 313.383 -0.523 50 20 DBGD CNC(=S)N(C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1351033780 VXIGOTTYNHZWJL-ZETCQYMHSA-N 311.454 -0.626 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)COCC(=O)O)cc1 1594106511 XDNWBDJXQWEPDK-UHFFFAOYSA-N 311.294 -0.644 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](OC)C(=O)O 1594146079 OOMSBLKVBGKUDR-LLVKDONJSA-N 312.278 -0.679 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)n1 1594151187 XLJYSXYPLGJDDB-MRVPVSSYSA-N 323.309 -0.749 50 20 DBGD O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)C(=O)NC1CC1 1594779932 ZINDAWCLCVHFJB-FZVNPBSJSA-N 309.322 -0.697 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(-c2ccco2)[nH]c1=O 75654069 NKXHRLKMZWFQQC-UHFFFAOYSA-N 304.306 -0.043 50 20 DBGD Cc1nn(C)c2ncc(NC(=O)NNC(=O)CN(C)C)cc12 155719332 LKGIUZCIKXNWCW-UHFFFAOYSA-N 305.342 -0.009 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(-n2cccn2)n1 186103266 UPCKKAXHSVWEMQ-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)[C@@H]1CCCCO1 295566897 NHOJYOUTQBLHQI-LBPRGKRZSA-N 321.333 -0.162 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CCn1cncn1 298139699 CXOOZKMIWGBRHX-UHFFFAOYSA-N 319.321 -0.097 50 20 DBGD CC(C)c1nn(C)cc1C(=O)NNC(=O)C(=O)N1CCCC1 299485992 LRXCAOHKJHVJCZ-UHFFFAOYSA-N 307.354 -0.073 50 20 DBGD O=C(/C=C/c1cccc(O)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 492734180 JNKPTHUGRVFSKM-ZWNMCFTASA-N 324.358 -0.013 50 20 DBGD CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584938330 DLOSYODYTDVRMD-GFCCVEGCSA-N 304.155 -0.645 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N1CCCC[C@H]1C 584946617 VVXZXASKRHCEIH-VXGBXAGGSA-N 318.182 -0.114 50 20 DBGD COCCN(Cc1ncc[nH]1)C(=O)c1cccc(B(O)O)c1 584984515 ZPYJENJJTINPOZ-UHFFFAOYSA-N 303.127 -0.622 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCS(=O)(=O)C[C@@H]1C1CC1 585000584 YOECEBFUNSZIAH-CYBMUJFWSA-N 323.179 -0.984 50 20 DBGD O=C(NC[C@@]1(O)C[C@H]2C=C[C@H]1C2)c1ccc(B(O)O)c(F)c1 585007186 KXKLJLOIASKBKN-ZSGNIPIJSA-N 305.114 -0.438 50 20 DBGD CC(C)[C@@H](NCc1ccccc1B(O)O)C(=O)N1CCOCC1 585025793 CTNDJKFHRKDLIT-OAHLLOKOSA-N 320.198 -0.661 50 20 DBGD O=C(CNC(=O)c1ccccc1OC(F)F)NCB(O)O 585062837 ODANZMWJYIZSNP-UHFFFAOYSA-N 302.042 -0.854 50 20 DBGD CN1c2ccc(C(=O)NCB(O)O)cc2C(C)(C)S1(=O)=O 585063200 SZQNWESXIMLYLS-UHFFFAOYSA-N 312.156 -0.557 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2cccn2C)cn1 728513713 UFMZVKDSJPXSQM-UHFFFAOYSA-N 301.306 -0.146 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N1CCCN(S(C)(=O)=O)CC1 731499155 LAHSYPWZUIIHTN-UHFFFAOYSA-N 320.415 -0.259 50 20 DBGD CCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 746164877 JPIWFKBLBRCUSS-LLVKDONJSA-N 313.402 -0.473 50 20 DBGD CCOc1ccccc1[C@@H](CC(=O)NNC(=O)CO)NC(C)=O 753443835 CTTVOQXVIZFRJB-GFCCVEGCSA-N 323.349 -0.208 50 20 DBGD CCOC(=O)Cc1nnc(NC(=O)NNC(=O)COC)s1 757755845 LFTQLVRBRORQMS-UHFFFAOYSA-N 317.327 -0.557 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 759773757 QIMGSJARJJWNOL-DTWKUNHWSA-N 300.359 -0.214 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1cc(C#N)cc(Cl)n1 768708284 OOKKKCGHQHYMGU-ZCFIWIBFSA-N 317.758 -0.013 50 20 DBGD O=C(NNC(=O)[C@@H](O)Cc1ccccc1)C(=O)N1CCCC1 793306182 XZVIKLILXHTDIV-LBPRGKRZSA-N 305.334 -0.640 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)nc1 798315810 QNVNAADRPZPWCP-UHFFFAOYSA-N 321.318 -0.801 50 20 DBGD Nc1nc(C2CCCC2)ncc1C(=O)NNC(=O)c1cnn[nH]1 806795931 RWSUJQRGEOBLLM-UHFFFAOYSA-N 316.325 -0.091 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c[nH]c(C(=O)OC)c1 814531546 HHMHZDYXOUGMDV-ZETCQYMHSA-N 311.294 -0.096 50 20 DBGD CCN(CCO)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 823834100 RDZUNBXYBLJGRH-XRRVDJEJSA-N 307.350 -0.861 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)OC)C1 824177988 XSAJKNQRFSMNAB-GUBZILKMSA-N 317.342 -0.680 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)N1 858318671 SGUICROAMYSQRY-SPFNVWMYSA-N 322.365 -0.447 50 20 DBGD Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862458186 ZKSCBLDRQHFSAK-JKOKRWQUSA-N 319.361 -0.115 50 20 DBGD CC[C@](C)(CC(=O)OC)NC(=O)c1cc(B(O)O)ccc1F 863876939 NGLPGPPRTNRUSR-CQSZACIVSA-N 311.118 -0.033 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@]1(OC)CCSC1 900807302 CAGCCIQAGSTKGA-ZDUSSCGKSA-N 317.411 -0.039 50 20 DBGD C[C@]1(CNS(=O)(=O)N2CCNCC2)C[C@H]1Br 923657779 AAJYMPCXFGWZON-RKDXNWHRSA-N 312.233 -0.101 50 20 DBGD COC(=O)CNC(=O)NN=Cc1c(Cl)nc(OC)n1C 1117703848 HCCXPGRSWPLGFN-UHFFFAOYSA-N 303.706 -0.112 50 20 DBGD Cc1csc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1118202786 FMOOWCALYYUJDU-HTQZYQBOSA-N 312.351 -0.038 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1 1118784482 LWEQGPYZKSYWFS-IPANGIIDSA-N 324.362 -0.745 50 20 DBGD CC1(CCNC(=O)NNC(=O)C2CCOCC2)OCCO1 1119290387 UEKBGBVVKHIZHE-UHFFFAOYSA-N 301.343 -0.104 50 20 DBGD CN(C)c1cccnc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1261790204 DDZTXKOWQVQVEW-SECBINFHSA-N 320.353 -0.743 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](c1cccs1)N(C)C 1318881624 AMVFKRLCFGQMKD-QMMMGPOBSA-N 314.367 -0.146 50 20 DBGD Cn1cc([C@H](CO)NC(=O)NNC(=O)Cc2cccnc2)cn1 1319898409 JRYUTHIXUJCIIX-LBPRGKRZSA-N 318.337 -0.578 50 20 DBGD CNC(=O)NNC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1320448562 STLWXKJGGQOPEI-UHFFFAOYSA-N 300.340 -0.903 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1324370874 ZHZZYTNWURGREW-UHFFFAOYSA-N 321.337 -0.655 50 20 DBGD C[C@@H]1CCCN(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1329980419 XGPLIQAOHYBJOV-GHMZBOCLSA-N 311.386 -0.673 50 20 DBGD CCn1nc(C)c(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1 1549314863 NEPAYFSTAMQNQU-AAEUAGOBSA-N 306.370 -0.080 50 20 DBGD COc1nccnc1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549318068 ABIHQCCFHRSITK-CMPLNLGQSA-N 305.338 -0.202 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CNCC2(C)C)ccc1=O 1579953206 NURUIRXAELELTD-SNVBAGLBSA-N 307.354 -0.673 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H](F)[C@H]1CCNC1 1580576722 WLBDNPQJONEAMI-IINYFYTJSA-N 319.340 -0.028 50 20 DBGD CC(C)(CS(=O)(=O)NNC(=O)[C@H]1CCCCO1)C(=O)O 1590820775 WHAFZGQPPIMVGI-MRVPVSSYSA-N 308.356 -0.383 50 20 DBGD Cc1cc(=NNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)cc[nH]1 1600282548 FWOFWBGKGZUWOK-LLVKDONJSA-N 306.322 -0.422 50 20 DBGD O=C(NNC(=O)c1ccc(C(=O)O)nc1)C(=O)N1CCCC1 1601555385 XUWXEYZTNQLBHU-UHFFFAOYSA-N 306.278 -0.837 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl 1601635891 OGBDKWCELRVPAU-UHFFFAOYSA-N 321.623 -0.211 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cccn2c(C(=O)O)cnc12 1776052554 VTXBKTCZGGPROA-UHFFFAOYSA-N 319.277 -0.161 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2nc(=O)[nH][nH]2)c2ccccc21 127577176 ARIUVXCBAIEJBV-UHFFFAOYSA-N 300.278 -0.336 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)[nH]n1 152963512 FRALEPMCHKLXFP-UHFFFAOYSA-N 315.333 -0.162 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)Cc1ccc(F)cc1 270198919 FNTTWIQJUYQMHL-UHFFFAOYSA-N 317.342 -0.545 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)CN1CCCC1=O 279011236 SWUVLLJUUSVWHY-UHFFFAOYSA-N 305.334 -0.027 50 20 DBGD C[C@](O)(C(=O)NNC(=O)CNC(=O)c1cccs1)C1CC1 286293494 XXCPJTNNXTXFCY-CYBMUJFWSA-N 311.363 -0.214 50 20 DBGD O=C(NCCCOC[C@@H]1CCOC1)c1cccc(B(O)O)c1 584949016 FSQZBUMXLJKAMS-LBPRGKRZSA-N 307.155 -0.461 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 584959074 WLMLLTYLAOLVNL-ZIAGYGMSSA-N 305.139 -0.614 50 20 DBGD O=C(NCCC(=O)N1CCCCC1)c1cc(B(O)O)ccc1F 584969846 YOHLBEQDKMSQGZ-UHFFFAOYSA-N 322.145 -0.362 50 20 DBGD CSCC[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N(C)C 584990306 TWIIBNNRABFQMI-LBPRGKRZSA-N 324.211 -0.694 50 20 DBGD C[C@@H]1C[C@@H]1C(=O)NCCc1nc(-c2cccc(B(O)O)c2)no1 585053487 LPPQPYHCXKTBBX-SKDRFNHKSA-N 315.138 -0.269 50 20 DBGD CC(=O)Nc1cc(F)c(S(=O)(=O)NCB(O)O)cc1Cl 585056531 XJFVWCUVOXNMQG-UHFFFAOYSA-N 324.526 -0.272 50 20 DBGD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058378 YVNJPRWXIYCQBY-ZETCQYMHSA-N 318.091 -0.029 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)NCc1ccco1 728592659 PIWGANLLMXHQOX-ZETCQYMHSA-N 304.328 -0.952 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCC1 732143209 XAKCCENBVSEWGX-LLVKDONJSA-N 310.354 -0.939 50 20 DBGD CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1cnn(C)c1 735510247 JZIHBGWWMGOSLD-SECBINFHSA-N 310.358 -0.331 50 20 DBGD COC[C@@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CCO1 741794321 JAKVPVHHNDVOII-RYUDHWBXSA-N 301.387 -0.084 50 20 DBGD O=C(CCNC(=O)c1ccsc1)NNC(=O)C(=O)NC1CC1 744463803 QLTQCUQOQLWUSX-UHFFFAOYSA-N 324.362 -0.706 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H](C)S(C)(=O)=O)n1 754675166 MOWWYZHGLGBHSI-ZETCQYMHSA-N 303.344 -0.456 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1c[nH]c2ccccc12 758127892 YYCQMZHIDWWRPK-UHFFFAOYSA-N 324.362 -0.132 50 20 DBGD CS(=O)(=O)[C@H]1CCCCN(CC(=O)NNC(=O)C2CC2)C1 770001774 RFCKWHADZZHAFG-NSHDSACASA-N 317.411 -0.557 50 20 DBGD CCCCNC(=O)NNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O 779504100 ZIWAXNGSBCGFNI-WCBMZHEXSA-N 300.359 -0.608 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CCO 779713224 KQRLGYANLIPPBX-IJLUTSLNSA-N 317.386 -0.081 50 20 DBGD C#CCOCCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 784556280 IWRYKEMEYQNVSD-UHFFFAOYSA-N 314.342 -0.509 50 20 DBGD COC[C@H](NCC(=O)NNC(=O)C(C)(C)C)[C@H]1CCCO1 789381690 GROBJFVHDBAHRE-WDEREUQCSA-N 301.387 -0.037 50 20 DBGD CC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 797652454 GDLMCGVGUGBZFQ-UHFFFAOYSA-N 301.328 -0.496 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCOC[C@@H]2CCCO2)CC1 807381965 QXJIKQFKKSBUML-LBPRGKRZSA-N 314.386 -0.440 50 20 DBGD CN1CCN(C(=O)NNC(=O)CC[C@@]2(C)CCC(=O)N2)CC1 807382463 DFFADZLIEPUVFO-CQSZACIVSA-N 311.386 -0.577 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCCC(=O)NC 808045607 OAOYNPVHQOLTOT-UHFFFAOYSA-N 303.359 -0.161 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 858125866 NSAZBWCNVCMGST-MRVPVSSYSA-N 318.399 -0.447 50 20 DBGD Cc1cc(F)cc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 863414322 ZGOUYIZPCSASQX-JTQLQIEISA-N 315.326 -0.278 50 20 DBGD COC(=O)COc1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 864231104 JBOUAIMDDPNJOL-NSHDSACASA-N 307.111 -0.073 50 20 DBGD CN1CCN(C(=O)CCNS(=O)(=O)CCCCl)CC1 881796029 RIHRYGCXZKKTKG-UHFFFAOYSA-N 311.835 -0.301 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cccn2)c1 915077230 OKKHSEFXOMHKPG-UHFFFAOYSA-N 322.346 -0.252 50 20 DBGD CC(=O)N1CCN(c2ccc(C(=O)NN)cc2[N+](=O)[O-])CC1 920087888 LUZPFDMJYVUSKC-UHFFFAOYSA-N 307.310 -0.133 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H](CC)CN1CCOCC1 925585115 MZFGKRYFICZAED-NSHDSACASA-N 302.375 -0.536 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCC[S@](C)=O 1251902303 IVFDQEXQJLPWPG-QFIPXVFZSA-N 323.378 -0.035 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1322839640 QKDRGFYKBINMGM-SNVBAGLBSA-N 305.338 -0.330 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccccn2)ccn1 1322949654 STXPROSSLQSYRY-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD COCCN(C)NC(=O)CNS(=O)(=O)c1ccccc1 1328569645 XEQWKEFVGAHGLB-UHFFFAOYSA-N 301.368 -0.426 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 1329976579 IUXSVQKPGUACTG-JTQLQIEISA-N 310.354 -0.665 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC2 1331804410 VIPZINKIEJRPLU-ONGXEEELSA-N 305.338 -0.820 50 20 DBGD CN1CCC(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1 1339389207 RXGBXFTVQDGLSX-GFCCVEGCSA-N 303.428 -0.180 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1=NOC2(CCNCC2)C1 1576903787 OYAQVLIGUVTULW-UWVGGRQHSA-N 310.354 -0.543 50 20 DBGD CN(C)N(C(=O)[C@H](N)CCCC#N)[C@H]1CCS(=O)(=O)C1 1578420141 AENPMLLULRFKLH-WDEREUQCSA-N 302.400 -0.500 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(/C=C\C(=O)O)o1 1599747499 ZJNCZYWWTWXAOI-RAYSLBHKSA-N 300.292 -0.128 50 20 DBGD C[C@H](NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccccc1)C(=O)O 1599897687 JUGPCEVAKSFCIV-IUCAKERBSA-N 322.321 -0.392 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1604618482 XMADRNKHIWQKKO-ZJUUUORDSA-N 318.326 -0.933 50 20 DBGD Cc1cccnc1NNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1607891157 PWOKSRMEAOZOON-UHFFFAOYSA-N 318.293 -0.096 50 20 DBGD O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)[C@@H]1COCCO1 1608286246 NIBRODWHKNDALD-YWNRKNDBSA-N 310.262 -0.446 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccnc(-c2nn[nH]n2)c1 1609558103 PEAOWHMVKDQVJK-SECBINFHSA-N 303.282 -0.798 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCCn1cncn1 263839417 PTXPUBQTFQDVNJ-UHFFFAOYSA-N 318.337 -0.140 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnn(C)n2)C[C@@H](C)O1 289059902 LWWYCUNUEOWRDI-AOOOYVTPSA-N 310.358 -0.925 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cncn2C)C[C@H](C)O1 289464529 YMSGRSMMBZHHBV-QWRGUYRKSA-N 309.370 -0.320 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)NC1CC1 365562549 QMAPMLVQNOAKDS-LBPRGKRZSA-N 324.381 -0.944 50 20 DBGD COC(=O)N1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 491064483 HWQMVRHSGQKCOL-QMMMGPOBSA-N 320.371 -0.742 50 20 DBGD O=C(COc1ccc(B(O)O)cc1)NC(=O)NC1CCCC1 584909035 ASEIDMDXSXRUFT-UHFFFAOYSA-N 306.127 -0.486 50 20 DBGD O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(B(O)O)ccc1F 584932943 BYXOSUMRSKWEJB-SNVBAGLBSA-N 306.146 -0.280 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1 584957096 CGKDEUIBIUYPLE-UONOGXRCSA-N 305.139 -0.614 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(O)(C(F)F)CC1 584974553 PNHBMCWVEZZCMC-UHFFFAOYSA-N 317.072 -0.262 50 20 DBGD C[C@@H](CN1CCOCC1)N(C)C(=O)c1cccc(B(O)O)c1 584982627 JAOSJHDZAFACLX-LBPRGKRZSA-N 306.171 -0.841 50 20 DBGD C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(B(O)O)cc1)CCO2 584985364 KQWVNZCSYBMWBE-IAQYHMDHSA-N 305.139 -0.614 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 728015010 KJKNXMMPZYVKQF-UHFFFAOYSA-N 318.742 -0.043 50 20 DBGD O=C(CNC(=O)c1ccccc1)NNC(=O)Cc1cc[nH]n1 730102845 PXAIUGWVIBYKPI-UHFFFAOYSA-N 301.306 -0.470 50 20 DBGD CN1CCN(CC(=O)NNc2nc(-c3ccncc3)no2)CC1 732281737 BJDKIYWNIYCGJY-UHFFFAOYSA-N 317.353 -0.178 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NCCN1C(=O)CNC1=O 733336381 QVIIEHHANYFRFB-UHFFFAOYSA-N 319.321 -0.509 50 20 DBGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)COC 764300356 YPCLMKSOBZOZJZ-UHFFFAOYSA-N 323.280 -0.430 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Nc1nc(CS(C)(=O)=O)no1 765256127 QFDFKLZFDMZVOC-UHFFFAOYSA-N 319.343 -0.187 50 20 DBGD COCCCOCC(=O)NNC(=O)CNC(=O)c1cccnc1 775790895 KUXLRTXPWUBJMQ-UHFFFAOYSA-N 324.337 -0.988 50 20 DBGD CN(NC(=O)CCNS(=O)(=O)c1ccccc1F)C(N)=O 778412035 KAZPIZJQWMTIGK-UHFFFAOYSA-N 318.330 -0.464 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 780710314 AYMJKMXXDIDGMU-SNVBAGLBSA-N 320.415 -0.259 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2cn(C)c(=O)nc2O)n1 794080798 RFYPEQVLBIRAOG-UHFFFAOYSA-N 303.278 -0.736 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C(N)=O)cc1 801111024 JVPPWIVMJJLPRX-UHFFFAOYSA-N 306.322 -0.408 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@@](F)(CO)C2)cc1 802011753 PXXXRUNVYLZVHD-HNNXBMFYSA-N 320.324 -0.274 50 20 DBGD C[C@H](N)C[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1 831211516 HBRNUHQSEQVRKH-NKWVEPMBSA-N 308.346 -0.179 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)F)[C@@H]1CCCCO1 833241597 CONPQKHLSBXLAX-ZJUUUORDSA-N 321.324 -0.331 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@]1(O)CCOC1 840237307 JBUKZGQWHGGWSD-OAHLLOKOSA-N 324.333 -0.237 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 841375482 GQCGQSLSQRVRKT-UFBFGSQYSA-N 323.305 -0.282 50 20 DBGD CCO[C@@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1OC 841622923 CJUWUBRMVGDFMT-SZEHBUNVSA-N 307.372 -0.780 50 20 DBGD C[C@H](CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NC(N)=O 847280737 GDPWAHAZSWVCJX-SSDOTTSWSA-N 309.282 -0.197 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1OC 847284812 RPEPNUSAGGNLKG-NXEZZACHSA-N 321.333 -0.024 50 20 DBGD COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 858178148 VRJFAZUQJXCCHX-SECBINFHSA-N 310.314 -0.416 50 20 DBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 858936334 WDTJNZKDTVGMEJ-LLVKDONJSA-N 312.370 -0.693 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CNc1cccc(Cl)c1 863460996 RQWATQDIUBHBTE-UHFFFAOYSA-N 319.770 -0.056 50 20 DBGD COC(=O)c1csc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 864231843 TWXQATVOVGFPQN-MRVPVSSYSA-N 319.169 -0.228 50 20 DBGD COC(=O)C1(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)CCC1 864233347 WYVOJXOPIZZOSP-SECBINFHSA-N 305.161 -0.792 50 20 DBGD COCCCNC(=O)NNC(=O)/C=C/CN1CCOCC1 865016618 OFIFGUBUUBMPAQ-DUXPYHPUSA-N 300.359 -0.758 50 20 DBGD CC(=O)N1C[C@@H]2CN([C@@H](C)C(=O)NNC(=O)CC(C)C)C[C@@H]2C1 880311361 CXZPROZSWHUUSP-FPMFFAJLSA-N 324.425 -0.022 50 20 DBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 899889506 FAARWACXGWHMEJ-SNVBAGLBSA-N 314.367 -0.410 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1ccncc1 1116509736 AHMYEMQTGIFAJC-RNCFNFMXSA-N 320.349 -0.953 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)Cc1cc[nH]n1 1116560909 YXAHHFKMHITGDJ-UHFFFAOYSA-N 302.356 -0.830 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCS(=O)(=O)C2)cn1 1118240721 LMHUNENXLIAKKU-MRVPVSSYSA-N 300.340 -0.994 50 20 DBGD Cn1nc2ccccc2c1C(=O)NNC(=O)CS(C)(=O)=O 1118953709 ISLLQGZHGFDZTE-UHFFFAOYSA-N 310.335 -0.621 50 20 DBGD C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(B(O)O)cc2)C1 1124001366 SRJVTDKAXPGJEX-LBPRGKRZSA-N 318.182 -0.255 50 20 DBGD Cc1noc([C@@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)n1 1318148052 IEIOLLOCFSVNOZ-SSDOTTSWSA-N 310.314 -0.608 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1CCSCC1 1318254561 DLBHHSBPEFDOJO-UHFFFAOYSA-N 300.384 -0.165 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1319277384 ISLURFXGFKRNEM-SECBINFHSA-N 306.384 -0.228 50 20 DBGD CC(=O)CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1326202736 UQHXDAUNDPSEQO-SNVBAGLBSA-N 318.395 -0.036 50 20 DBGD CNC(=S)N(C)NC(=O)CCc1nc(-c2ncccn2)no1 1328341909 VXEBHGPCDCRNPH-UHFFFAOYSA-N 321.366 -0.074 50 20 DBGD O=C(NNC(=O)N1CC[C@H](N2CCCC2=O)C1)c1cn[nH]c1 1328803848 IMOJCXCEHNMVGC-JTQLQIEISA-N 306.326 -0.539 50 20 DBGD CN(C)CCNC(=S)NNC(=O)C(=O)Nc1ccccn1 1340275424 CFYDRPHVUNVGTO-UHFFFAOYSA-N 310.383 -0.923 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 1342638608 UKVWBHKALJALAV-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD COC(=O)NNC(=O)Cc1c(C)nc2[nH]n(C)c(=O)c2c1C 1342640573 VZZPCDVSTQSXFH-UHFFFAOYSA-N 307.310 -0.192 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)C(=O)NNC(=O)C1CCCC1 1601022499 ASQZJVIEEXVWAL-UHFFFAOYSA-N 323.309 -0.606 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCO[C@@]2(CCSC2)C1 1601552959 PDNKCGGBHDZGQB-HQJQHLMTSA-N 303.340 -0.544 50 20 DBGD O=C(O)CNC(=O)NN=Cc1cnc(N2CCOCC2)s1 1602071955 DOASTSDASUKEOM-UHFFFAOYSA-N 313.339 -0.303 50 20 DBGD C[C@@](CO)(NCC(=O)NNC(=O)c1ccc(F)cc1)C(=O)O 1604197320 XHAJCZKJARLMBV-ZDUSSCGKSA-N 313.285 -0.988 50 20 DBGD CN(C)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350658 QDTDEKYGLDSUAR-NSHDSACASA-N 317.817 -0.259 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc2c(c1)CCO2 54641592 PRZBLIUQVVQNPC-UHFFFAOYSA-N 305.334 -0.164 50 20 DBGD CN1CCN(CC(=O)NNC(=O)CCc2ccccc2O)CC1 111613671 GVAQTLLUCAVAFE-UHFFFAOYSA-N 320.393 -0.280 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O 266544585 QJAUXCIEJRDBRD-JTQLQIEISA-N 311.250 -0.523 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCCC(=O)OC 267226594 VTRNHMYTNDOVKF-VIFPVBQESA-N 305.331 -0.679 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)CC1CC1 294062418 GOFFDDSRUHXLCT-HNNXBMFYSA-N 307.350 -0.145 50 20 DBGD CNC(=O)NNC(=O)CCOc1ccc(S(C)(=O)=O)cc1 299359436 DEOZIGOXCWSXKI-UHFFFAOYSA-N 315.351 -0.181 50 20 DBGD CCNC(=O)N(C)NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 496616612 RFSBDRGASIDYAA-UHFFFAOYSA-N 316.358 -0.339 50 20 DBGD CN(C)C(=O)CC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584972151 OFXNKVHIKISWBR-UHFFFAOYSA-N 318.182 -0.303 50 20 DBGD NC(=O)N1CCC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584989348 BXGSNYNUCONQHS-SECBINFHSA-N 323.133 -0.974 50 20 DBGD O=S(=O)(NCB(O)O)c1ccc(F)cc1Br 585053866 DWRYHUQQNMJPNW-UHFFFAOYSA-N 311.925 -0.122 50 20 DBGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NCB(O)O 585063031 RPLDZOQCRXYJFZ-UHFFFAOYSA-N 320.563 -0.863 50 20 DBGD Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](B(O)O)C2)c(O)c1 585067511 XGUDCYQASYTGFF-LLVKDONJSA-N 320.154 -0.104 50 20 DBGD O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)C(=O)NC1CC1 743346898 YAPGZCFKUOIGPC-UHFFFAOYSA-N 321.293 -0.296 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C)cc(C(=O)O)c1O 743842219 PUNATTGQWUGPKS-UHFFFAOYSA-N 317.323 -0.089 50 20 DBGD O=C(CC1(O)CCCCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746102671 JPHBEHUNLCNVQI-SNVBAGLBSA-N 318.395 -0.346 50 20 DBGD O=C(CO)NNC(=O)Cc1csc(NC(=O)c2ccco2)n1 753440266 YUEGOEDFRBGVAF-UHFFFAOYSA-N 324.318 -0.329 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C(C)(CO)CO)cc1 754851811 ILBUEYIAZQMOBV-UHFFFAOYSA-N 324.333 -0.710 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 755268084 BOUCELSPYVYLEZ-UHFFFAOYSA-N 302.294 -0.832 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1csnc1C(=O)OC 755967433 KTIGBUZVUDZSSO-UHFFFAOYSA-N 308.341 -0.558 50 20 DBGD Cc1ncc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 756373994 YURPZVLPPXVAHQ-QMMMGPOBSA-N 313.339 -0.628 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 760304868 KWHMRCVQTZXXMO-SNVBAGLBSA-N 315.333 -0.070 50 20 DBGD Cc1cncc(CNC(=O)NNC(=O)C(=O)N2CCCC2)c1 760852640 UHQNAQDIPYMONT-UHFFFAOYSA-N 305.338 -0.157 50 20 DBGD O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccnnc1 761196953 CQQFEXFPVCMWJX-UHFFFAOYSA-N 324.304 -0.409 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)N1CCSCC1 772217121 YOFSUWUDLOXVDH-UWVGGRQHSA-N 317.411 -0.087 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 777614463 MEOQOVFTCSXNOW-UHFFFAOYSA-N 322.274 -0.135 50 20 DBGD CCn1ccnc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 813378196 MRSLWXQWDTWMGU-QMMMGPOBSA-N 300.340 -0.901 50 20 DBGD CCN(CCO)NC(=O)c1cc2c(N(C)C)ncnc2n1C 823864774 CPNDBXXJYJQCIB-UHFFFAOYSA-N 306.370 -0.007 50 20 DBGD N#CC[C@]1(O)CCN(CC(=O)NNC(=O)c2ccccc2)C1 829983478 VXDXMUMXSDWUFJ-HNNXBMFYSA-N 302.334 -0.202 50 20 DBGD COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)CCl 831025334 XLUQQTGMHDROGZ-QMMMGPOBSA-N 314.791 -0.194 50 20 DBGD N#Cc1cccc([C@H](NNC(=O)[C@H]2COCCO2)C(=O)O)c1 833075887 OBELDMLBUZGXFR-NEPJUHHUSA-N 305.290 -0.280 50 20 DBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CNC(=O)O 833441191 GQYHKYVOJSFJFW-UHFFFAOYSA-N 318.330 -0.294 50 20 DBGD C[C@@H]1CN(CCC(=O)O)CCN1CC(=O)NNC(=O)C1CC1 833629557 WXDNDOCGUREGAO-SNVBAGLBSA-N 312.370 -0.975 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)CNc1ccccc1OC 856791945 GEHLRYPFKZPOMN-GFCCVEGCSA-N 311.338 -0.084 50 20 DBGD CN1CCC[C@H](CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858535010 MIJQRIIHJNFXKF-MNOVXSKESA-N 311.386 -0.673 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCCN3CCCC[C@H]23)N1 858593458 CRBKYKSGAVZQOW-QJPTWQEYSA-N 323.397 -0.388 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 860443899 KVXBIXWFQIVESK-JTQLQIEISA-N 320.305 -0.096 50 20 DBGD Cc1nn(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1Cl 862452779 ODZGJYIFTMGESF-QMMMGPOBSA-N 313.745 -0.421 50 20 DBGD CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 863869494 PGSZOJBMXZVZHC-CYBMUJFWSA-N 320.154 -0.283 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@]2(F)CCOC2)C[C@@H](C)O1 1117332006 GVPIFULLDCFIDP-UHIISALHSA-N 317.361 -0.238 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1263729197 OLWLMLSBMBZNFS-DGCLKSJQSA-N 318.377 -0.156 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)NC(C)C)CC1 1318040428 JPPVUPGLAUBXEP-UHFFFAOYSA-N 320.415 -0.213 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)CCNC(N)=O 1319803098 GHLGBZIKWKAMNJ-UHFFFAOYSA-N 300.340 -0.408 50 20 DBGD NC(=O)NCCCCC(=O)NNc1ccc(-n2ccnc2)nn1 1323770226 DZJRPOSRTSUIKZ-UHFFFAOYSA-N 318.341 -0.056 50 20 DBGD COCc1nc(CNC(=O)NNC(=O)C(=O)OC)cs1 1324027209 RWGZUKATEQQVDY-UHFFFAOYSA-N 302.312 -0.707 50 20 DBGD CS(=O)(=O)Nc1ccccc1C(=O)N1CC[C@@H](B(O)O)C1 1330260826 CBGVKRXDNYWALZ-SECBINFHSA-N 312.156 -0.253 50 20 DBGD N#CCc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1348421987 DNAPCZSHTPMNQY-LLVKDONJSA-N 322.346 -0.659 50 20 DBGD Cc1sc(CN)nc1C(=O)NNC(=O)[C@@H]1COCCO1 1579934320 FVWCKQKBYZCVKG-ZETCQYMHSA-N 300.340 -0.913 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@]2(C(=O)O)CC=CCC2)nn1 1594649928 FURPJTMNRUBFJF-ZDUSSCGKSA-N 305.294 -0.170 50 20 DBGD CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1792861586 NAXBNBVLLSUZKM-SSRBZLIGSA-N 322.764 -0.119 50 20 DBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)Cc1ccccc1 132180584 FHIYEVALOFPZFI-UHFFFAOYSA-N 318.377 -0.112 50 20 DBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)N1CCN(C)CC1 278506557 AJMLOQWHKJKXDK-LLVKDONJSA-N 307.354 -0.163 50 20 DBGD O=C(NNc1nnc[nH]1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 294014605 ULVLZMUGDSSXRT-GHMZBOCLSA-N 320.353 -0.311 50 20 DBGD Cc1cc(C)nc(NNC(=O)CN2CCS(=O)(=O)CC2)n1 298738860 QYAWZNYITBDCRU-UHFFFAOYSA-N 313.383 -0.733 50 20 DBGD Cn1cnnc1[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584929224 PEWNVSKZPUFVQU-LBPRGKRZSA-N 314.154 -0.485 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)NC1CCCC1 584933657 GSNORIYDELXRSJ-VIFPVBQESA-N 322.145 -0.317 50 20 DBGD Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C2 584936687 LKQHLSBLSIQRQH-LLVKDONJSA-N 317.129 -0.245 50 20 DBGD O=C(NCCCN1CCCCC1=O)c1cc(B(O)O)ccc1F 584941119 FGDLEAGHECGJNF-UHFFFAOYSA-N 322.145 -0.362 50 20 DBGD COCCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCSC1 584944263 ZWRBJVGPDNHQQK-ZDUSSCGKSA-N 309.196 -0.040 50 20 DBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2COC[C@H]2O1 585005122 YDMYTOBHLJFLNF-CHWSQXEVSA-N 323.129 -0.476 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)cc2)CCN1CC(F)(F)F 585024312 UAGDBQQGGYRYRI-LLVKDONJSA-N 316.088 -0.381 50 20 DBGD O=C(NCCCNCc1ccc(B(O)O)cc1F)C1CCC1 585026436 MYFANIXIQXOFBN-UHFFFAOYSA-N 308.162 -0.099 50 20 DBGD CC(C)[C@@H](C(=O)NCB(O)O)n1nnc(-c2ccccc2)n1 585055842 JZSNBLXZYFZIEK-NSHDSACASA-N 303.131 -0.335 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 728203473 KBFNNGRZOPZTBV-UHFFFAOYSA-N 316.317 -0.078 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 731283223 DVGGUBQTJVMLHC-MNOVXSKESA-N 300.359 -0.784 50 20 DBGD CCn1nc(C(=O)NNC(=O)Cn2nc(C)cc2C)ccc1=O 732052066 KNCKESMDIPTZBV-UHFFFAOYSA-N 318.337 -0.462 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 750660261 RCVFJIKWMFUDKZ-VIFPVBQESA-N 300.359 -0.247 50 20 DBGD CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)Cc1cc[nH]n1 758068350 FNAAWQGIHVMKIJ-CQSZACIVSA-N 323.397 -0.107 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)C(C)(C)C 758174959 DJPKLXVOZARYLQ-UHFFFAOYSA-N 309.388 -0.864 50 20 DBGD CCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764428624 IWCAIWLAKOXFCC-UHFFFAOYSA-N 323.305 -0.668 50 20 DBGD O=C(CN1CCN(c2ccccc2)C(=O)C1)NNC(=O)C1CC1 765070629 APYQQGZBVIWCDQ-UHFFFAOYSA-N 316.361 -0.107 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc(O)c([N+](=O)[O-])c2)cn1 770510410 YBORDHRXJCGQDK-UHFFFAOYSA-N 306.238 -0.496 50 20 DBGD COC[C@](C)(O)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772158509 FPPBJMLADFMHKC-RNCFNFMXSA-N 304.343 -0.491 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)C1CCC1)N1CCCS1(=O)=O 772693498 MTJSOBUOJPOCAT-LLVKDONJSA-N 317.411 -0.006 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(C(=O)C2CC2)CC1 781933256 UUJSKGCTWXLLKJ-NSHDSACASA-N 310.398 -0.123 50 20 DBGD CC(C)n1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 787995069 FDCRNKWEWIGSIW-QMMMGPOBSA-N 317.371 -0.837 50 20 DBGD COC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCCO1 789332624 RPJUYJPVNKLXJR-WDEREUQCSA-N 311.342 -0.442 50 20 DBGD CN(CCOCCO)CC(=O)NNC(=O)c1cccc(C#N)c1 800508510 XVBVIFSFXNOPKT-UHFFFAOYSA-N 320.349 -0.740 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)Cc1cccnc1)S(N)(=O)=O 826123450 OBVXRIPZZMGSSK-JTQLQIEISA-N 314.367 -0.771 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 826391845 DJYJASGSRSPYFM-JTQLQIEISA-N 316.325 -0.147 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 826667539 PUOBOHFOFFJTPH-UTUOFQBUSA-N 319.365 -0.206 50 20 DBGD CCN1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1=O 827273552 HYSPAFPFSGCQBQ-MNOVXSKESA-N 312.370 -0.294 50 20 DBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@@H]1CC(=O)N1 831477116 DQNYVXQXWILEBT-QMMMGPOBSA-N 314.342 -0.673 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)nc2n1 843637168 BHCAFSIFEGDRBK-UWVGGRQHSA-N 318.337 -0.073 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)c1ccncc1 845070558 DLYMEQKDQNFOMU-SECBINFHSA-N 301.310 -0.518 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCc3nnnn3CC2)o1 845740453 ZZGLFHOWVUASTL-VIFPVBQESA-N 304.310 -0.012 50 20 DBGD C[C@H](CNC(=O)NNC(=O)Cc1cn2ccccc2n1)C(=O)O 848584523 AOJOYYHJXAIXER-SECBINFHSA-N 319.321 -0.072 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H](C(=O)O)C(C)C 848591229 QTGUFGBUOPWZRR-NXEZZACHSA-N 319.358 -0.275 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccc(OC)nn1 854281666 HNUWHNTXUJEKKK-UHFFFAOYSA-N 313.383 -0.027 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc[nH]n1 855357838 RCFZLXVLRVZEAZ-QMMMGPOBSA-N 317.371 -0.865 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 856790861 CXNPPRGCGMSVKX-VHSXEESVSA-N 320.349 -0.234 50 20 DBGD CCCc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n(C)n1 860868117 PZDSEXKBQSOJNM-VIFPVBQESA-N 308.342 -0.196 50 20 DBGD COC(=O)c1cc(C=NNC(=O)CS(C)(=O)=O)n(C)c1C 863186811 MSFZGYMUHJOFEA-UHFFFAOYSA-N 315.351 -0.385 50 20 DBGD CN(C)C(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 863379224 QZYSAXQWBSVTAK-AAEUAGOBSA-N 304.350 -0.285 50 20 DBGD C=CCNc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 863935826 VPXCZBOGWWXNDU-SSDOTTSWSA-N 309.351 -0.219 50 20 DBGD COc1cc(C=O)ccc1OCC(=O)N1CC[C@@H](B(O)O)C1 874969552 HMVNAGQORLOGSJ-LLVKDONJSA-N 307.111 -0.038 50 20 DBGD CC(=O)N1C[C@H]2CN(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)C[C@H]2C1 883705265 GRPFHVHNJDBPKD-SYEHKZFSSA-N 324.381 -0.438 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc3n(n2)CCCC3=O)CC1 908056034 SCDVAMZTXLDWNX-UHFFFAOYSA-N 320.353 -0.539 50 20 DBGD CCOC(=O)c1ccc(CNC(=O)NNC(=O)C(=O)OC)cc1 1116187753 TVCQZDIZOYOPAG-UHFFFAOYSA-N 323.305 -0.133 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCc1nnnn1C1CC1 1116195041 ASOACKCUYXXETG-UHFFFAOYSA-N 316.325 -0.524 50 20 DBGD NC(=O)c1cc(CNC(=O)NNC(=O)CC(F)(F)F)on1 1116364070 DGVLVFDTIZWAEL-UHFFFAOYSA-N 309.204 -0.444 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccncc1 1118805935 LWQKNEHRSXNCIA-KOLCDFICSA-N 305.338 -0.206 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccnc1N1CCCC1 1317730814 PNMNQCMHHHQOPQ-UHFFFAOYSA-N 319.365 -0.033 50 20 DBGD O=C(CSc1nnc(CO)n1C1CC1)NNC(=O)C1CC1 1319660633 DOSDIDRBWYJXRL-UHFFFAOYSA-N 311.367 -0.245 50 20 DBGD COCCn1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)n1 1320240051 SQPLALWJTJUYAK-UHFFFAOYSA-N 323.353 -0.194 50 20 DBGD CS(=O)(=O)c1ccccc1NC(=O)NNC(=O)CCO 1320401446 ZQRVKKQTPRWUHQ-UHFFFAOYSA-N 301.324 -0.375 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCCC2)NNc1ncncc1F 1324304445 HINPXIRGVPHBHA-UHFFFAOYSA-N 321.316 -0.156 50 20 DBGD Cc1nonc1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1329675735 SGCDAQDYKSSOCQ-SECBINFHSA-N 302.356 -0.587 50 20 DBGD COC(=O)CSCCNC(=O)NNC(=O)c1cn[nH]c1 1331298289 VMHVOUVVPUPWED-UHFFFAOYSA-N 301.328 -0.740 50 20 DBGD CCOCCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1337848454 JSURTZXMVLJZQD-NXEZZACHSA-N 322.383 -0.990 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@@H]3CCOC3)nc21 1347176544 LRIHWOHIMSTCDC-ZETCQYMHSA-N 307.314 -0.269 50 20 DBGD N#Cc1cccc([C@@H](NNC(=O)[C@H]2CCC(=O)N2)C(=O)O)c1 1601118429 LBDCXGGUHKTRRH-ZYHUDNBSSA-N 302.290 -0.417 50 20 DBGD O=C(O)c1coc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)c1 1602559485 VYPSCKMQRRFPJJ-SSDOTTSWSA-N 304.280 -0.534 50 20 DBGD CCO/C=C(\C#N)C(=O)N(CCN1CCN(C)CC1)CC(=O)O 1610035489 NFAJMPQQWWXABM-OUKQBFOZSA-N 324.381 -0.409 50 20 DBGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1802268534 DSCRAMBDCIOXLD-UTINFBMNSA-N 320.773 -0.811 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1OC 8392149 AGUGIUCRUJVPQW-UHFFFAOYSA-N 307.306 -0.257 50 20 DBGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C(=O)NC1CC1 8401622 LEDQPUIYBMVMIM-SECBINFHSA-N 316.317 -0.248 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 48962121 HRAZVGWLTGQRBR-UHFFFAOYSA-N 307.353 -0.788 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)c1cccn1C 77688038 SQCOXXQDVJUQBH-UHFFFAOYSA-N 301.368 -0.143 50 20 DBGD O=S(=O)(CBr)NC[C@H]1CCCS1(=O)=O 127555141 FZXBBMURRINQMB-ZCFIWIBFSA-N 306.203 -0.165 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CN2CCCS2(=O)=O)n1 267115895 CNBFMAAZASKJEQ-UHFFFAOYSA-N 319.774 -0.083 50 20 DBGD C=C(CBr)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 279690468 HWCKYHUPVGOJDU-SECBINFHSA-N 302.172 -0.420 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(B(O)O)c1 405060060 OSCCPFUVSWYCMF-JTQLQIEISA-N 311.172 -0.905 50 20 DBGD CC(C)(C)CC[C@H](NC(=O)c1cccc(B(O)O)c1)C(N)=O 584983142 SZHQXWOZGRHUML-LBPRGKRZSA-N 306.171 -0.224 50 20 DBGD Cn1nccc1N1CCC[C@H](NCc2ccc(B(O)O)cc2)C1 585038409 CXYWKBJMKBLUOY-HNNXBMFYSA-N 314.198 -0.142 50 20 DBGD O=C(CN1CCN(CC(F)(F)F)CC1)NNC(=O)C1CC1 733193100 CFDYKDUJLGSKKJ-UHFFFAOYSA-N 308.304 -0.276 50 20 DBGD Cn1c(NNC(=O)C2(C(N)=O)CC2)nc2ccccc2c1=O 733261724 JHKNGWPUCWKDPN-UHFFFAOYSA-N 301.306 -0.358 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2ccccc21)N[C@H]1CCS(=O)(=O)C1 742055159 KWVDLJFDGOXNSW-CMPLNLGQSA-N 323.374 -0.156 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 742242901 RYLUAVGNWWINRE-ZDUSSCGKSA-N 321.333 -0.451 50 20 DBGD C[C@@H](C(=O)NNC(=O)C1CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746092667 BPNBMDWSHIHQSF-GDWDKGMLSA-N 321.333 -0.905 50 20 DBGD O=C(CO)NNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 753438924 HXPKWWBTZASQOK-UHFFFAOYSA-N 318.289 -0.789 50 20 DBGD CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NNC(=O)CO 757678287 MVSYTINYJAWJOE-UHFFFAOYSA-N 319.314 -0.485 50 20 DBGD CC(=O)NNC(=O)CC[C@@H](CC(C)C)C(=O)NNC(C)=O 759185205 VBAUISJGTNCPLF-NSHDSACASA-N 300.359 -0.237 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCc3nn[nH]c3C2)cc1 759518652 NTLAQCQDIUKOLD-UHFFFAOYSA-N 314.349 -0.068 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F 764422142 VMYCZIOQSGVSJZ-UHFFFAOYSA-N 307.640 -0.304 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCC2)O1 774776059 PCPIHURSRNMYMX-QWRGUYRKSA-N 312.370 -0.247 50 20 DBGD O=C1NC(=O)N2CCN(S(=O)(=O)CCCCCl)C[C@@H]12 780834818 KLQRHMOYCRBJTG-QMMMGPOBSA-N 309.775 -0.429 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](OC)c1cnn(C)c1 798774582 QEUCNHXOVKAUCO-KWQFWETISA-N 312.326 -0.403 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 802422597 ZAKOIIWCGATFGQ-UHFFFAOYSA-N 322.387 -0.195 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1=O 822951948 YXDCHTMFJWOBEB-JTQLQIEISA-N 319.321 -0.898 50 20 DBGD C[C@H](CO)N(C)NC(=O)Cc1csc(N2CCOCC2)n1 823927553 ANEMBGDZECJKDI-SNVBAGLBSA-N 314.411 -0.134 50 20 DBGD C=CCNC(=S)NNC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 847285937 ZOIOQEJYOSEEEE-QMMMGPOBSA-N 322.398 -0.361 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccc2nn[nH]c2n1 854283887 OBOGAQSRAWSKNM-UHFFFAOYSA-N 323.382 -0.160 50 20 DBGD COC(=O)c1cc(C)cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862462134 UYHHDOHBVVKSHE-LLVKDONJSA-N 319.317 -0.179 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N1CCCNC(=O)C1 872885080 CWBLXLXJISWJIJ-UHFFFAOYSA-N 306.322 -0.129 50 20 DBGD O=C(NCCOC[C@H]1CCCO1)NNC(=O)C1CCOCC1 883418945 WLZBJDHOGMRHLV-GFCCVEGCSA-N 315.370 -0.061 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 887140511 IHVTUOPFGKLXIC-SNVBAGLBSA-N 301.368 -0.639 50 20 DBGD Cn1nnc2cc(NC(=O)C(=O)NNC(=O)CC3CC3)ccc21 1118139751 VBDINCUHJRUQDQ-UHFFFAOYSA-N 316.321 -0.146 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CSc1nncs1 1251260703 FMSWSTZQGFJCSM-UHFFFAOYSA-N 303.369 -0.698 50 20 DBGD NC(=O)COc1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 1320130448 LAZFTEDMKMYOBU-UHFFFAOYSA-N 317.305 -0.723 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(OCC2CC2)cc1 1320521161 OSZIRVBTFPBHMC-UHFFFAOYSA-N 321.333 -0.056 50 20 DBGD Cc1nnc(NNC(=O)CCCCN2CCOCC2)nc1O 1321105042 DBBFEVSGQGLKKJ-UHFFFAOYSA-N 310.358 -0.169 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H](CO)c2cnn(C)c2)n1 1321507861 RPOCHFYKOWDGDG-GFCCVEGCSA-N 318.337 -0.199 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1c(F)cccc1F 1326090288 XXQZBUVZPHIYFI-UHFFFAOYSA-N 301.205 -0.776 50 20 DBGD CC(C)c1ncncc1C(=O)NNC(=O)CS(C)(=O)=O 1329208866 UYZKILUHTSUVQS-UHFFFAOYSA-N 300.340 -0.594 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)CO1 1329272488 JRDZRLWMTKMPFS-IUCAKERBSA-N 307.310 -0.472 50 20 DBGD CCOCCNC(=S)NNC(=O)C(=O)Nc1ccccn1 1332398334 CCMFDCUKSCBKAT-UHFFFAOYSA-N 311.367 -0.448 50 20 DBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 1600108812 UAXHXUFDWZBMBX-NSHDSACASA-N 308.290 -0.130 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cscc1-c1nn[nH]n1 1603335474 RBXZJNXXCWCWMU-UHFFFAOYSA-N 323.338 -0.786 50 20 DBGD COCCCS(=O)(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 1777207122 RCWCETGUIWVRKC-YHYXMXQVSA-N 314.323 -0.322 50 20 DBGD O=C(c1cc[nH]n1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556271 GIYIIWNMVHJZBI-GARJFASQSA-N 312.757 -0.175 50 20 DBGD CCCNC(=O)NNC(=O)CNS(=O)(=O)c1cccs1 49279440 KTDDYVZPIQYQSI-UHFFFAOYSA-N 320.396 -0.233 50 20 DBGD Cc1ccc(NNC(=O)NCCN2CCCS2(=O)=O)nn1 264356885 FKCGVEUJMJIXCW-UHFFFAOYSA-N 314.371 -0.553 50 20 DBGD COC(=O)c1ccc(NNC(=O)C2=NN(C)C(=O)CC2)nc1 270387739 RBOIBOWGODPGCK-UHFFFAOYSA-N 305.294 -0.081 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccn1 273475456 SSEVHSHWORTCBH-QMMMGPOBSA-N 315.355 -0.520 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cn1 274900126 SIJJLRGYPJKYLG-ZCFIWIBFSA-N 319.318 -0.689 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ncn(C(C)(C)C)n2)CC1 293506464 ZGEAOOLKEOYZAO-UHFFFAOYSA-N 309.374 -0.365 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCCS2(=O)=O)s1 299188925 ITLIVEXKZUSGFF-UHFFFAOYSA-N 317.392 -0.147 50 20 DBGD O=C(NNS(=O)(=O)c1ccc(Cl)nc1)N1CCOCC1 299335272 BJFGSGYBNHFSMW-UHFFFAOYSA-N 320.758 -0.030 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC1OCCCO1 492288474 JKNRAUPXGNSMBP-UHFFFAOYSA-N 317.342 -0.188 50 20 DBGD CC(C)N1C[C@@H](CNC(=O)c2cccc(B(O)O)c2)CC1=O 584995748 RDJDOHXLJMJYDU-LLVKDONJSA-N 304.155 -0.647 50 20 DBGD COC(=O)c1c(S(=O)(=O)NNC(=O)NC(C)C)n[nH]c1C 732045171 BPJBNNZHQSZXOJ-UHFFFAOYSA-N 319.343 -0.594 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)[C@@H]2CCO[C@H]21 741426254 QOQNUOWKTQQVIN-IVZWLZJFSA-N 310.354 -0.591 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)cc1F 751591267 OTBIMZXMQFZRDL-UHFFFAOYSA-N 323.733 -0.211 50 20 DBGD C#CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 754085049 RGJZORJFRZHBNR-UHFFFAOYSA-N 322.390 -0.301 50 20 DBGD COCCC(C)(C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 760244529 PHCVOIOFFHPPFK-QMMMGPOBSA-N 309.388 -0.866 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1N(C)C 764300168 LXBHYGHRUWJVIR-UHFFFAOYSA-N 309.326 -0.812 50 20 DBGD CCN(CC)c1ccc(NC(=O)C(=O)NNC(=O)COC)cn1 764304336 YFNYKNKVVCFFEB-UHFFFAOYSA-N 323.353 -0.340 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)N1CCSCC1 772217123 YOFSUWUDLOXVDH-ZJUUUORDSA-N 317.411 -0.087 50 20 DBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)N1CCN(C)CC1 773655981 AETTYGLNNAHWDP-UHFFFAOYSA-N 322.369 -0.792 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@H](C)OCCOC 788890449 FUBSEYTYFJWTSJ-UWVGGRQHSA-N 318.374 -0.765 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)SC[C@H](NC(C)=O)C(=O)OC 790022560 VFZFWXIJOMMQEK-APPZFPTMSA-N 319.383 -0.657 50 20 DBGD O=C(NNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CCC1 826444479 IJXGRDDNZNATLO-NSHDSACASA-N 316.321 -0.152 50 20 DBGD NS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccnc(F)c2)C1 831916766 BSNCJVRYOHDDGI-MRVPVSSYSA-N 317.346 -0.421 50 20 DBGD O=C(O)CCCCCCNC(=O)NNC(=O)[C@H]1COCCO1 833225033 JDHZPATZNRLFNI-SNVBAGLBSA-N 317.342 -0.233 50 20 DBGD CO[C@@H](CS(=O)(=O)NNC(=O)c1cnccn1)C(C)C 842576047 SBPAHLSWZCMKNL-JTQLQIEISA-N 302.356 -0.288 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)C2(n3cnnn3)CC2)cc1 856791515 PGDFMRDXGCJYMH-UHFFFAOYSA-N 315.337 -0.270 50 20 DBGD CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696334 KDEDIATYHNEFOB-BDAKNGLRSA-N 314.342 -0.817 50 20 DBGD COC(=O)c1cnc(C(C)=NNC(=O)CS(C)(=O)=O)s1 863183849 NWDRHKZJIUKCCD-UHFFFAOYSA-N 319.364 -0.186 50 20 DBGD COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cccc(B(O)O)c1 863877623 BIPXWLHLHGIJQQ-OLZOCXBDSA-N 321.138 -0.841 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)CN1CCCC1=O 920433126 OPOYQATYGVCIEV-UHFFFAOYSA-N 322.321 -0.912 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 1251918588 DRVHSHVABDUDIE-NWDGAFQWSA-N 322.369 -0.773 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNc2ncncc2F)co1 1261248914 ZPRZVFWHPNUPKV-UHFFFAOYSA-N 315.286 -0.126 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 1317755854 FWFKFNDLKGVXHF-UHFFFAOYSA-N 312.307 -0.703 50 20 DBGD Cn1cc(C(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1 1318124925 HMPJIDXPYZITLG-UHFFFAOYSA-N 316.273 -0.207 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCO1 1319726127 CXDRDQIWFZCSLQ-CKYFFXLPSA-N 305.400 -0.065 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)Cc2ccncc2)n1 1320503023 BRRARWWHPSZHCA-UHFFFAOYSA-N 318.337 -0.147 50 20 DBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326832429 JPFFGPGSSZWNDT-RKDXNWHRSA-N 323.353 -0.507 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H]3OCCC[C@@H]3C2)N1 1328717870 DOPCWOAXDRMIFR-GMTAPVOTSA-N 310.354 -0.493 50 20 DBGD O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cn[nH]c3)CC[C@H]2N1 1329193945 SGWVKUBLNUHRDP-WCBMZHEXSA-N 306.326 -0.635 50 20 DBGD O=C(CCS(=O)(=O)C1CCCC1)N1CC[C@@H](B(O)O)C1 1329293714 UAZXVOHFZLFPNH-SNVBAGLBSA-N 303.189 -0.191 50 20 DBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1=CCN(C)CC1 1331297719 QARWWRQTBPSERJ-KOLCDFICSA-N 309.370 -0.754 50 20 DBGD Cc1c(Br)cnn1CC(=O)NNC(=O)CCCN 1579519806 MRKVYTGGBUFXPR-UHFFFAOYSA-N 318.175 -0.160 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)COc1ccc(C)c(C)c1 1593908252 GIPZSYQTJUARIS-LBPRGKRZSA-N 310.306 -0.071 50 20 DBGD C[C@@H](C(=O)NN[C@H](C)C(F)(F)F)n1cnc(-c2nn[nH]n2)n1 1603019342 DKYMBNAWJVRFAR-CRCLSJGQSA-N 319.251 -0.409 50 20 DBGD O=C(O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)cc([N+](=O)[O-])c1 1608835128 UOXYLJRCCADUQY-VIFPVBQESA-N 308.055 -0.018 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cnn(C)c1 1609468045 YXMSTHHFWNNBKL-UHFFFAOYSA-N 316.281 -0.424 50 20 DBGD C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1801601642 PZIXKABNSAVGQU-CLLJXQQHSA-N 320.393 -0.369 50 20 DBGD COC(=O)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 54871276 QWXKLTXCXDSGMN-JTQLQIEISA-N 309.278 -0.670 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1 126488298 SQJCDOMMFJBPPM-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 139644441 QNLITCGJFCQRIN-UHFFFAOYSA-N 324.337 -0.469 50 20 DBGD CCn1nc(C(=O)NNC(=O)[C@H](C)O)c2ccccc2c1=O 276158031 RXMCMADPGZTMEX-QMMMGPOBSA-N 304.306 -0.442 50 20 DBGD COc1cc(C#N)ccc1OCC(=O)NNC(=O)C(C)(C)O 276270078 OJZJJSHIIIWPCY-UHFFFAOYSA-N 307.306 -0.136 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCC(=O)OC(C)(C)C 277796800 GBNBGJDKGDLDMN-UHFFFAOYSA-N 301.343 -0.220 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc(F)cc2[nH]nnc12 282285030 RUUCBMJTCIYNNE-UHFFFAOYSA-N 308.273 -0.216 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)c2c[nH]nc2C)cn1 492700087 BUSOQKFOJTXDOP-ARJAWSKDSA-N 302.294 -0.009 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(n2cncn2)CC1 584936324 CCPMGGDLXVHTNP-UHFFFAOYSA-N 300.127 -0.565 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 584943693 MBVNKQJBKRQORV-CYBMUJFWSA-N 323.179 -0.842 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCSC[C@@H]1CCO 584965318 QHHRJDKCMXUDFQ-JTQLQIEISA-N 313.159 -0.555 50 20 DBGD OB(O)c1ccc(CNCCCCN2CCOCC2)c(F)c1 585015889 NXANSEOECVKVBE-UHFFFAOYSA-N 310.178 -0.293 50 20 DBGD CC(C)N1C[C@@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585043823 SPROHFQPWGBUGW-LLVKDONJSA-N 308.162 -0.148 50 20 DBGD O=S(=O)(NCB(O)O)c1ccc(Br)cc1F 585059221 FFQZXBHIVKUEDL-UHFFFAOYSA-N 311.925 -0.122 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)NCCn1cncn1 726710438 YYGCSEPHKVMGJA-UHFFFAOYSA-N 322.300 -0.173 50 20 DBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)O)cc1 738061397 WHBVADVRRCMDMG-ZETCQYMHSA-N 317.323 -0.339 50 20 DBGD CC(=O)Nc1nc(C(=O)NNC(=O)N2CCOCC2)cs1 745986376 QTNWGBAKHANRCX-UHFFFAOYSA-N 313.339 -0.212 50 20 DBGD O=C(CO)NNC(=O)CCN1CCN(c2ccccc2)CC1 753719115 BEUCMEGQTCRFDR-UHFFFAOYSA-N 306.366 -0.662 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1 759008758 LJDNDGAUCSHJMZ-UHFFFAOYSA-N 304.306 -0.576 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ncc(F)cn2)C1=O 760914502 LBTRPJSIVQSSKO-UHFFFAOYSA-N 322.256 -0.964 50 20 DBGD CN(C)c1nccc(NNC(=O)[C@H]2CCCCS2(=O)=O)n1 776155346 CZXNUIFWBJHVSW-SECBINFHSA-N 313.383 -0.047 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 776341116 PSZKIKVHSMVZEB-UTLUCORTSA-N 303.384 -0.060 50 20 DBGD O=C(NNC(=O)c1ccc2nsnc2c1)C(=O)NC1CC1 776703233 SXJKUZKKDGSHLB-UHFFFAOYSA-N 305.319 -0.269 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1O 779489796 UPBVZWMUOQXFGV-JTQLQIEISA-N 312.347 -0.104 50 20 DBGD CC[C@H](CO)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 779778357 LPPDVKIBXYCZPO-SECBINFHSA-N 318.374 -0.140 50 20 DBGD COC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](C)O1 784368407 IQUKNFCACQSHJU-QWRGUYRKSA-N 301.387 -0.084 50 20 DBGD COc1nccnc1NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O 791225852 QRWQEUOLMBFAKJ-HTQZYQBOSA-N 302.356 -0.003 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CSCC(=O)O)nc21 819084118 BDXDLTORAQTLAL-UHFFFAOYSA-N 312.311 -0.670 50 20 DBGD O=C(COCC(=O)NNC(=O)CC1CC1)NCc1cccnc1 819126548 PSHQBQZFRJRKOQ-UHFFFAOYSA-N 320.349 -0.338 50 20 DBGD CC1=C(C(=O)NNC(=O)c2ccc[nH]2)[C@@H](C)n2nnnc2N1C 847297564 LDHDRYFBQAYRSR-MRVPVSSYSA-N 316.325 -0.253 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)c2cccn2C)CC1 849303330 AUCUTRGKJWWWEV-UHFFFAOYSA-N 316.383 -0.385 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 858133016 OPNCNDBFUHZIRL-SNVBAGLBSA-N 324.312 -0.057 50 20 DBGD CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858248769 HZWBQYIPNVKLLT-DMWPJOQESA-N 324.381 -0.201 50 20 DBGD C[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCS1 858699738 XMOCLQPJOHOCIY-BDAKNGLRSA-N 300.384 -0.167 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1cccn1CCN1CCOCC1 911444306 DAQCHMFOOYOAIX-ZDUSSCGKSA-N 310.398 -0.222 50 20 DBGD CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(CCl)cc1 914430823 NAGAIVZZRVCHOK-JTQLQIEISA-N 306.771 -0.189 50 20 DBGD CN(C)CC(=O)NNC(=O)Cc1nnc(O)c2ccccc12 1116057062 VOSAANWSQYUSDY-UHFFFAOYSA-N 303.322 -0.413 50 20 DBGD CC(C)c1ncc(S(=O)(=O)NNC(=O)c2cnccn2)[nH]1 1116189706 VWKWXSIMKFPVRM-UHFFFAOYSA-N 310.339 -0.054 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 1116379973 HWKYOFMPEOJBCG-SKDRFNHKSA-N 319.383 -0.945 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)c2cccc(C#N)c2)n1 1256123086 KXROGIVVVTWWLW-UHFFFAOYSA-N 300.282 -0.774 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)CC2CC2)CCOCC1 1324331572 FSYKWYZKUCHZCJ-UHFFFAOYSA-N 304.368 -0.472 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)C1CCC1 1327545297 SCFKGKYAUKRKRI-UHFFFAOYSA-N 311.363 -0.088 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1(c2cccc(C#N)c2)CC1 1329126986 LSURXRXGNARLTG-UHFFFAOYSA-N 321.358 -0.218 50 20 DBGD Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329735717 OMKQULBFXWLFKK-WRWORJQWSA-N 323.353 -0.169 50 20 DBGD CC(C)(C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)S(C)(=O)=O 1549321817 VCNJPDORYZWGOW-GHMZBOCLSA-N 317.411 -0.225 50 20 DBGD COCC[C@@H]1CNCCN1CC(=O)NNC(=O)C(C)(C)C 1579011690 CDBUQPRGIPDJFA-LLVKDONJSA-N 300.403 -0.510 50 20 DBGD COC[C@H](N)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 1579086928 NDTHQGCRPDFJNQ-NSHDSACASA-N 316.383 -0.646 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CCN[C@H]([C@H]2CCCO2)C1 1580736462 TYQFALCJGBMDQH-YVECIDJPSA-N 311.382 -0.140 50 20 DBGD C[C@H](C(=O)NNc1ccc(F)cn1)n1cnc(-c2nn[nH]n2)n1 1589000339 YSVKFZFAVAAUAA-ZCFIWIBFSA-N 318.276 -0.303 50 20 DBGD Cn1cncc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1592589692 NQONGBNUZIZQES-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD CSCCNC(=S)NNC(=O)c1cnc(C(=O)O)cn1 1594186355 JYIBXOHFZOAKIZ-UHFFFAOYSA-N 315.380 -0.353 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(C#N)(C(=O)O)CC1 1594645949 UWMCNSLXCMCVES-VHSXEESVSA-N 324.337 -0.157 50 20 DBGD O=C(NCc1ccccc1C(=O)O)NNC(=O)c1ncon1 1594771948 JBTLAGKDFUZVKM-UHFFFAOYSA-N 305.250 -0.088 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1 1598610551 QXQNKTOSKXZNHL-WDEREUQCSA-N 312.370 -0.134 50 20 DBGD O=C(C1CC1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1784899505 CCZQLJKVNHLOOY-BXUZGUMPSA-N 316.785 -0.174 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H]2CO)n1 118400651 VSRXVLGNFTVLRZ-SNVBAGLBSA-N 312.395 -0.402 50 20 DBGD NC(=O)N1CCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 147171079 BKGSRDUQVCHXKI-VIFPVBQESA-N 317.371 -0.997 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCCNC(=O)c1ccn[nH]1 272569295 PKNLCZLDMAPXBW-UHFFFAOYSA-N 310.358 -0.094 50 20 DBGD CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 274047446 HVNIYHGSVOWYKS-UHFFFAOYSA-N 320.349 -0.073 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 496663837 PYJIUUKILXKRNV-SVRRBLITSA-N 316.314 -0.845 50 20 DBGD CC(C)C(=O)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584924949 NOGCXBHATCLXPF-UHFFFAOYSA-N 322.145 -0.554 50 20 DBGD O=C(N[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1)C1CCC1 584945293 XTLHGVBVLAQTQB-AWEZNQCLSA-N 316.166 -0.503 50 20 DBGD O=C(NCB(O)O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 585062219 DJZCVCPIOYEHOF-UHFFFAOYSA-N 307.115 -0.061 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(=O)O)cc1 728435716 GOUFQTWSHRMPLU-MRVPVSSYSA-N 313.335 -0.227 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCC(=O)N1CCOCC1 732086387 ASMVDNQSHZWVGU-UHFFFAOYSA-N 309.326 -0.882 50 20 DBGD CN(CC(=O)NCc1ccco1)CC(=O)NNC(=O)C1CC1 733193203 JEUOQULXHUMVSE-UHFFFAOYSA-N 308.338 -0.615 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1 747608713 JYJHXXGTPIUJJH-UHFFFAOYSA-N 305.287 -0.265 50 20 DBGD CCN1CCC(NC(=O)NNC(=O)[C@H](C)OCCOC)CC1 748616174 XTEQXHNTAOSXKF-NSHDSACASA-N 316.402 -0.147 50 20 DBGD CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)CO)CC1 753439344 XXHADNWIMCLMRD-UHFFFAOYSA-N 300.359 -0.700 50 20 DBGD CN(CC(=O)NNC(=O)C(C)(C)C)Cc1nnc2n1CCC2 754666353 OTGXQFYQDUCUFS-UHFFFAOYSA-N 308.386 -0.150 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 755661554 IMYWZGDFRDMRQD-UHFFFAOYSA-N 320.305 -0.519 50 20 DBGD COCCn1ccc(NC(=O)NNC(=O)c2cnn(C)c2)n1 756311706 SUPKUZRHWJDHOR-UHFFFAOYSA-N 307.314 -0.271 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)ccn1 763135620 LAIPKWIBDOAYNK-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1OC 764300842 YMFSVXBFGPRLAH-UHFFFAOYSA-N 317.248 -0.294 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccccc1O 764343580 WQVUHXIBZLSGPE-UHFFFAOYSA-N 314.301 -0.022 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cnc(C#N)c2C#N)cc1 766362968 DHJNCOBTCXNYOA-UHFFFAOYSA-N 319.284 -0.041 50 20 DBGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2ccccn2)c1 777473179 ZQEUYEWDPRRJCU-UHFFFAOYSA-N 310.339 -0.763 50 20 DBGD O=C(NCc1nnnn1C1CC1)NNc1nc2ccccn2n1 790405199 WAPUVBFASMJEJX-UHFFFAOYSA-N 314.313 -0.123 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCC(=O)NCC2CC2)n1 793044923 WJZCMEKNFVIKNL-UHFFFAOYSA-N 305.338 -0.140 50 20 DBGD CCN(CCO)NC(=O)CNC(=O)NCc1ccc(F)cc1 823842760 XKJOLXYKXHCSQB-UHFFFAOYSA-N 312.345 -0.030 50 20 DBGD C[C@H](N)C[C@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1 831211502 HBRNUHQSEQVRKH-BQBZGAKWSA-N 308.346 -0.179 50 20 DBGD COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(CC(=O)NNC(=O)C1CC1)C2 839175848 XHXFHMNTLWKUIR-YUSALJHKSA-N 309.366 -0.183 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1nc2ccccn2c1=O 843640077 AZGVIFPTNYJDIS-VHSXEESVSA-N 319.321 -0.932 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)COCc1ccccc1 847512687 WWOIEOIFHSQSSQ-NWDGAFQWSA-N 305.334 -0.138 50 20 DBGD COCCCNC(=S)N(C)NC(=O)Cc1nonc1C 854285989 KUQHNLDRZIWJFF-UHFFFAOYSA-N 301.372 -0.205 50 20 DBGD Cc1cc(=NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc[nH]1 862511811 BSOGYJPJTJTPFX-GFCCVEGCSA-N 312.395 -0.626 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1cccc(C#N)c1 863460251 QDLNGXBRQPQBRJ-UHFFFAOYSA-N 311.319 -0.871 50 20 DBGD CCCc1nc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)o1 863466152 QSJYAMWTILEZSE-UHFFFAOYSA-N 303.340 -0.259 50 20 DBGD CCn1c(S)nnc1CNC(=O)c1cc(B(O)O)ccc1F 863873976 LIWWLERKIGDOFT-UHFFFAOYSA-N 324.146 -0.664 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(OC)CCSC1 885755581 MXLCCJWLXQYSLN-PELKAZGASA-N 304.368 -0.002 50 20 DBGD O=C(N[C@H]1CCCC12OCCO2)c1cc(B(O)O)ccc1F 912819047 VBHADEFRBJKALC-LBPRGKRZSA-N 309.102 -0.469 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccnn1C[C@@H]1CCOC1 1116654198 ADWSMGYNYVCULE-JTQLQIEISA-N 310.358 -0.366 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CCC(=O)NC1 1118758290 BFDRQXLVCACDSQ-SNVBAGLBSA-N 315.370 -0.161 50 20 DBGD Cc1cc[nH]c1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1256452397 LFMNLBSNIYIAQI-MRVPVSSYSA-N 300.340 -0.546 50 20 DBGD O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 1261829929 FPIKJYHNKMIJRO-QWRGUYRKSA-N 317.301 -0.286 50 20 DBGD Cc1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n[nH]1 1319011626 AQRMTEOZHVRTEX-NSHDSACASA-N 301.372 -0.401 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccccc2CCN)CC1 1578533190 UNSXNSCLKQWPHJ-UHFFFAOYSA-N 305.382 -0.210 50 20 DBGD Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)[C@H]1CCN1 1579550270 UDDVYIMGKYBBEF-CYBMUJFWSA-N 306.366 -0.245 50 20 DBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(-c2nn[nH]n2)c1 1588772461 OVWIIRMVPWBOBL-LLVKDONJSA-N 313.321 -0.015 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)n1 1600511963 MFVUUWZBBXJSTB-UHFFFAOYSA-N 304.266 -0.859 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 1604435094 RKSRUCRQXLLODX-VIFPVBQESA-N 324.318 -0.001 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C2CCC1(C(=O)O)CC2 1609027239 HZXKSNJRPQFGCN-UHFFFAOYSA-N 307.086 -0.273 50 20 DBGD O=C(CC1OCCO1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1609521403 OXEBJOJONPBYEH-UHFFFAOYSA-N 318.293 -0.609 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)C(=O)NC1CC1 270680214 YGKHJPJKIPAODK-UHFFFAOYSA-N 309.347 -0.090 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(CCO)C[C@H](C)O 298675179 YPYMEPPVINOCKF-ZDUSSCGKSA-N 323.393 -0.640 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(B(O)O)c2)C1 584909357 CTGDNJZCNYHRAD-LLVKDONJSA-N 304.155 -0.047 50 20 DBGD O=C(NCCCc1nc(C2CC2)n[nH]1)c1cccc(B(O)O)c1 584941047 CTTSPBCFUMYYOI-UHFFFAOYSA-N 314.154 -0.276 50 20 DBGD O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccc(B(O)O)c(F)c1 584957882 IVSFAMKMZHGKCY-SNVBAGLBSA-N 303.102 -0.484 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(c2ncc[nH]2)CC1 584981595 FIKWVNQMDLMAEU-UHFFFAOYSA-N 300.127 -0.948 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1Cn1ccnn1 584995426 VVGXFUPBFYMHKW-NSHDSACASA-N 318.117 -0.598 50 20 DBGD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058985 WCANOHQVBWQUSR-QMMMGPOBSA-N 300.101 -0.168 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)c2c(C)n[nH]c2n1 726932882 VEZYUKCQFPUHKX-UHFFFAOYSA-N 318.337 -0.140 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)nc2)cn1 737602562 JSJHECFIEOWNOH-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)N1CCOCC1 745996025 IYGDERRYTPQZAS-UHFFFAOYSA-N 312.286 -0.746 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H](C)N(C)C1CC1 748628090 RRTCBURIDKUCBB-MNOVXSKESA-N 316.402 -0.149 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNC(=O)c1ccccn1 753764720 USPGDBZBOYNLNK-SNVBAGLBSA-N 324.337 -0.272 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ncc(F)cn1 760905831 AAYKGLOOVPQSRQ-UHFFFAOYSA-N 308.229 -0.171 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(Cl)nc1 779844177 GGWLRMICQJKXHT-UHFFFAOYSA-N 322.730 -0.600 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCC(=O)NC 780787778 XCEHONXMKRIMFK-UHFFFAOYSA-N 300.359 -0.645 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 790597698 RZIILYFIRKSGAU-LBPRGKRZSA-N 314.305 -0.312 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=S)NCC1CC1 849260063 UQHLPGQFWVMCRY-UHFFFAOYSA-N 307.379 -0.283 50 20 DBGD CCn1c(NNC(=O)C2(O)CNC2)nc2ccccc2c1=O 852803079 CHKXQFMPFWNMLN-UHFFFAOYSA-N 303.322 -0.806 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)c1cc[nH]n1 855358236 CKPWAZBTLRZGJA-UHFFFAOYSA-N 302.356 -0.224 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cccc(C(=O)OC)c1C 855626147 URLBBOBKHLURJH-UHFFFAOYSA-N 315.351 -0.226 50 20 DBGD COc1cc(F)cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858338144 CKKLWCMLGMMFJO-NSHDSACASA-N 324.312 -0.057 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cccc(Cn2cncn2)c1 863864580 LRWOMCXEYRLKBP-UHFFFAOYSA-N 302.338 -0.351 50 20 DBGD COC(=O)[C@@H](CC(F)F)NC(=O)c1ccc(B(O)O)cc1 863877531 GNHJVUBNRVPJML-SECBINFHSA-N 301.054 -0.707 50 20 DBGD CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 863885073 GUQUXMVIGMNUOH-OLZOCXBDSA-N 305.139 -0.172 50 20 DBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 913730634 COEHEMSTTXVNKQ-SECBINFHSA-N 321.381 -0.090 50 20 DBGD COCCNC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 916117635 FGCNNUSMJPXVNU-JTQLQIEISA-N 304.416 -0.904 50 20 DBGD NC(=O)c1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 920384025 IOTHKVWUNHSSBZ-NSHDSACASA-N 324.362 -0.394 50 20 DBGD COCCOCc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1261823885 LRTMJSZZXQKFLG-UHFFFAOYSA-N 309.322 -0.045 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@]12CCC(=O)N1CCS2 1318271757 PDFJAGTXXULJJJ-NSHDSACASA-N 302.425 -0.044 50 20 DBGD Cc1ccncc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1318831514 YVAAGHWTEVXFHF-SECBINFHSA-N 312.351 -0.479 50 20 DBGD Cc1cnn(CC2CC2)c1NC(=O)C(=O)NNC(=O)CCO 1321152403 SIMTUNCLKVWBHP-UHFFFAOYSA-N 309.326 -0.930 50 20 DBGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)NC2CC2)o1 1323674441 KJKVFKZQJQUTBE-UHFFFAOYSA-N 316.339 -0.565 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNc2nncc(N)c2Cl)C1 1334646654 IJIXQVFXQBZYNC-SSDOTTSWSA-N 313.749 -0.041 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C2CCOCC2)nn1 1349433586 QSZUBIMZGPSCNP-ONGXEEELSA-N 323.353 -0.184 50 20 DBGD CN(C)c1nccc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1 1549320842 ONBVCDOZBMKPEI-QWHCGFSZSA-N 318.381 -0.144 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cn(CC(=O)O)nn2)cc1O 1574356702 FXZUMLFLFKHHOK-UHFFFAOYSA-N 319.277 -0.548 50 20 DBGD CC(C)CC(=O)N1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1609690590 IZKKQRWOMFDUAY-UHFFFAOYSA-N 314.342 -0.562 50 20 DBGD O=C(NNC(=O)c1cccs1)N[C@@H]1CCS(=O)(=O)C1 54029270 PYWDSXJHGPVSAQ-SSDOTTSWSA-N 303.365 -0.121 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CN1C1CC1 127533822 UQYHQAYQHYCDEG-KOLCDFICSA-N 306.370 -0.011 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 266728423 WLYVERVSZHQEGT-LLVKDONJSA-N 307.306 -0.504 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CN1CSCC1=O)C1CC1 267595726 KMMFUHKYFHEGBB-SSDOTTSWSA-N 302.425 -0.187 50 20 DBGD COC(=O)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 276028881 ZAFYLOYCILGAAR-QWRGUYRKSA-N 311.338 -0.185 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1ncncc1F 294095096 RMRGLOHIQWTOOZ-UHFFFAOYSA-N 321.334 -0.985 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(CCC(=O)O)cc1 299158475 QBCMPVNUVFWWAA-UHFFFAOYSA-N 301.324 -0.174 50 20 DBGD Cc1ccc(C(=O)N2CCC[C@H](C(=O)NNC(=O)CO)C2)cc1 376874040 FSUCKLNIXUNJFB-ZDUSSCGKSA-N 319.361 -0.013 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)COCc1ccccc1 497306793 WGKJUGFIQGRPOK-CABZTGNLSA-N 307.306 -0.153 50 20 DBGD CC(C)(C(=O)Nc1cccc(B(O)O)c1)S(=O)(=O)C1CC1 584914523 ZBQNOSCMHIWBKK-UHFFFAOYSA-N 311.168 -0.339 50 20 DBGD O=C(NCc1nnc(C2CC2)o1)c1ccc(B(O)O)c(F)c1 584973256 CFEUWSDHBNVQAA-UHFFFAOYSA-N 305.074 -0.304 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](N2CCC2)[C@H](F)C1 584982184 LXXYHTIRCBRCKL-KGLIPLIRSA-N 324.136 -0.236 50 20 DBGD O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1cc(B(O)O)ccc1F 584997318 AOMMVMXRJBNUQM-ZWNOBZJWSA-N 320.129 -0.611 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@H]2N1 585007379 LIHCRBBOUPTILP-DGCLKSJQSA-N 302.139 -0.893 50 20 DBGD Cn1cc([C@](C)(O)CNCc2ccc(B(O)O)cc2F)cn1 585024946 IBRQDBBDKCFIPU-CQSZACIVSA-N 307.134 -0.764 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-n2ccnc2)nc1 730091524 FTFSXQMBXQWAPF-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 735432245 ONYZZNBQRWAMQI-UHFFFAOYSA-N 304.339 -0.443 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CCOC(C)C)CC1 746669615 WJOQXEGWUDXFAE-ZDUSSCGKSA-N 314.430 -0.025 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(C#N)c1 779843560 BCWROTGGLZTJBA-UHFFFAOYSA-N 312.307 -0.776 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 781064163 VCMVGTFDAULABT-SNVBAGLBSA-N 320.415 -0.261 50 20 DBGD CN(C)C1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCC1 783005079 PUDPFNIHPROFFS-GFCCVEGCSA-N 318.443 -0.148 50 20 DBGD O=C(CN1CCOC[C@H]1[C@H]1CCCC1=O)NNC(=O)C1CC1 784356652 RIXVDFZYPOQRGM-NEPJUHHUSA-N 309.366 -0.386 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C#N)s1 797818113 NTZROXYMNCVYHO-UHFFFAOYSA-N 318.336 -0.715 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cnc(NC(C)=O)s1 805064201 FPTHBDSUWQFTPX-UHFFFAOYSA-N 321.384 -0.044 50 20 DBGD CCOC1CC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 805167608 CKZKSGLKMMFFKK-KYHHOPLUSA-N 319.383 -0.681 50 20 DBGD Cn1nncc1NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 816771712 XUNNLLHMVDVXPF-UHFFFAOYSA-N 318.293 -0.583 50 20 DBGD CC(C)(CCNC(=O)NNC(=O)[C@H]1COCCO1)C(=O)O 818622689 DADORPDPRBXDFZ-MRVPVSSYSA-N 303.315 -0.767 50 20 DBGD C[C@H](CO)N(C)NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 823951641 LZVYRVHKNTXMRD-SNVBAGLBSA-N 317.386 -0.034 50 20 DBGD CN(CC(=O)NNc1ccc(C(=O)O)cn1)S(C)(=O)=O 833691838 JOTNEMYQOMMWPM-UHFFFAOYSA-N 302.312 -0.886 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2n(c1=O)CCS2 843975694 OEJSRSVXUADWRT-YUMQZZPRSA-N 324.362 -0.465 50 20 DBGD CC1=C(C(=O)NNC(=O)C2CCC2)[C@@H](C)n2nnnc2N1C 847481882 DZPGKQVKHWKVRS-MRVPVSSYSA-N 305.342 -0.095 50 20 DBGD CCc1nc(S(=O)(=O)NNC(=O)NC)cn1CC1CC1 853024174 GSPYFGAWRBZREY-UHFFFAOYSA-N 301.372 -0.022 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)c2ncccn2)CC1 854953223 UFLGWTCDNUIBPE-UHFFFAOYSA-N 307.310 -0.284 50 20 DBGD CC(=O)c1cn(CC(=O)NNC(=S)NCC2CCC2)nn1 855093021 GQCPSCGDFFKJHC-UHFFFAOYSA-N 310.383 -0.224 50 20 DBGD C[C@H](NC(=S)NNC(=O)CS(=O)(=O)C1CC1)C1CC1 855094947 GYEQVFPJZPJHRE-ZETCQYMHSA-N 305.425 -0.143 50 20 DBGD C[C@@]1(CNC(=O)NCCS(N)(=O)=O)C[C@@H]1Br 856848582 HSZCBRFPCNXNPR-XPUUQOCRSA-N 314.205 -0.252 50 20 DBGD COCCOc1ncccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452384 KEBIPNOQRFULMV-JTQLQIEISA-N 322.321 -0.854 50 20 DBGD CSCc1cccnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462247 OUJSLKQQIFFVMZ-SECBINFHSA-N 308.363 -0.016 50 20 DBGD NC(=O)C(=O)Nc1cccc(NCc2ccccc2B(O)O)c1 864035582 CNEHQNWHDQLPCZ-UHFFFAOYSA-N 313.122 -0.598 50 20 DBGD O=C(NNc1nc2ccccn2n1)C1CN([C@H]2CCOC2)C1 897552744 QTEGNKWPHLYZBG-NSHDSACASA-N 302.338 -0.107 50 20 DBGD CC(C)COCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883570 BJWZHKYCZDCDMA-SNVBAGLBSA-N 321.399 -0.433 50 20 DBGD CCCNC(=O)NNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 921037888 DSVQZABSNYSGHS-JTQLQIEISA-N 310.358 -0.357 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCC2=O 1116603556 GAKZJVLLPQGOSX-UHFFFAOYSA-N 307.262 -0.023 50 20 DBGD Cn1ccc(NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n1 1256183130 AQBOCCBZHFVYQQ-ZDUSSCGKSA-N 306.326 -0.416 50 20 DBGD CCCN1CCCC[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 1261835457 WEZCTMKKOFDQQR-SNVBAGLBSA-N 305.400 -0.557 50 20 DBGD COC(=O)C(=O)NN=Cc1ccc(OC)c(OCC(N)=O)c1 1318909354 LFFPKVOPYSQYCR-UHFFFAOYSA-N 309.278 -0.818 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 1320520549 RAZZYMACIVHZCF-UHFFFAOYSA-N 317.309 -0.596 50 20 DBGD O=C(Cc1ncccc1F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321016393 OUOGIOKQBWMHQI-MRVPVSSYSA-N 315.326 -0.655 50 20 DBGD COCCOCCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1329237320 UDAACRKUXKAAEP-MNOVXSKESA-N 303.359 -0.205 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)N1 1330963582 FLKZTPKRHJRKMU-RUJCJZPVSA-N 321.377 -0.256 50 20 DBGD COCCOCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1334111572 QXOYHJHQJCWBLT-UHFFFAOYSA-N 310.314 -0.435 50 20 DBGD O=C1N[C@H](C(F)(F)F)CC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 1335432935 PDEJPYWTNFRJOG-CSMHCCOUSA-N 308.065 -0.481 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1 1348411709 OGAKZAARBUXTGG-JTQLQIEISA-N 310.335 -0.937 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)N1CCN(C)CC1 1521614970 BZZCZWINMHBSLY-NSHDSACASA-N 323.401 -1.000 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@]23CNC[C@@H]2C3)c1 1579351344 JVCAEJKNCYRVSS-IINYFYTJSA-N 323.374 -0.539 50 20 DBGD O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)C(F)F 1592890051 BFMDLDINZAJSMR-UHFFFAOYSA-N 312.236 -0.342 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)o1 1600341664 UODWVKCKWRGPPY-SECBINFHSA-N 323.305 -0.328 50 20 DBGD COC/C=C\C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605073928 ULLSMWKRZVZRJC-IHWYPQMZSA-N 302.294 -0.170 50 20 DBGD CC(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795066527 ZVEGRATVJJIEFV-WRWGMCAJSA-N 318.801 -0.168 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 44253593 WXEXRDANMKDZCL-UHFFFAOYSA-N 301.280 -0.319 50 20 DBGD COC(=O)N(C)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 286422968 QKRWDCMBOXRDNW-UHFFFAOYSA-N 320.305 -0.191 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(O)CCc2ccccc2C1 367126014 JVSMZCDCOXRGRY-MRXNPFEDSA-N 319.361 -0.422 50 20 DBGD CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)Cc2cc[nH]n2)C1 495175856 SRTFJOYYNRDESD-UHFFFAOYSA-N 323.353 -0.034 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NN=c2cc[nH]cc2)C1 496505018 MLRLNBZDZMLQIG-UHFFFAOYSA-N 308.338 -0.072 50 20 DBGD CC(C)n1cc(CNC(=O)c2ccc(B(O)O)c(F)c2)nn1 584992909 STRQUXVEKMNCOM-UHFFFAOYSA-N 306.106 -0.392 50 20 DBGD O=C(NCC[C@]1(O)CCCOC1)c1ccc(B(O)O)c(F)c1 585004958 SPNYELRANXOCPU-CQSZACIVSA-N 311.118 -0.833 50 20 DBGD OC[C@@H]1CCCN1CCCCNCc1cccc(B(O)O)c1 585024273 WJZAECGMEBLQQB-INIZCTEOSA-N 306.215 -0.307 50 20 DBGD O=C(Cn1cc(Br)cn1)N1CC[C@@H](B(O)O)C1 585075695 IJGYFTFSJXLSPS-SSDOTTSWSA-N 301.937 -0.279 50 20 DBGD O=C(CN1CSCC1=O)NNC(=S)NCC1CCC1 727866468 JLMCLLKGFAVSJS-UHFFFAOYSA-N 302.425 -0.185 50 20 DBGD COC(=O)c1ncn(CC(=O)NNC(=O)c2ccc(C)cc2)n1 732718290 VAORWEGPHXUPIJ-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD Cc1cc(NNC(=O)[C@H]2CCCN2S(C)(=O)=O)nc(C)n1 736716406 CZKQVPSRUFOWHL-SNVBAGLBSA-N 313.383 -0.039 50 20 DBGD CC(C)NC(=O)CCCC(=O)NNc1ccc(C(N)=O)nn1 757405139 YUUJMKPMIURRPZ-UHFFFAOYSA-N 308.342 -0.287 50 20 DBGD CCc1ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 758038653 FYQDPYSMQIZAAO-LURJTMIESA-N 320.396 -0.596 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(F)cc1C(=O)OC 759089313 JTGKXOYWDFFNHC-UHFFFAOYSA-N 305.287 -0.265 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2c1ccn2C 764299920 PIBBCZRHKHEBFD-UHFFFAOYSA-N 304.306 -0.089 50 20 DBGD O=C(CNC(=O)NNC(=O)Cc1cccnc1)NCC1CC1 778651285 WALGFOMIEXWLQN-UHFFFAOYSA-N 305.338 -0.519 50 20 DBGD Cc1c(F)cccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 817720091 YBMXUVJZYMXRQY-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 826445076 GDCNPLWIGWSGCH-SNVBAGLBSA-N 302.294 -0.193 50 20 DBGD Cc1ccoc1CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 857116608 KFCMZRWPGDLQNM-QMMMGPOBSA-N 303.340 -0.784 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1[N+](=O)[O-] 862448970 KBNQNTLFAXTNTF-SECBINFHSA-N 306.278 -0.057 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)[C@@H]2CCCC[C@@H]2N1 862466011 BGTYSNSHXKCECM-DCAQKATOSA-N 305.338 -0.134 50 20 DBGD CC(C)(CCl)CS(=O)(=O)NCC(=O)N1CCNCC1 866737287 LDKUBTRKEBMVNA-UHFFFAOYSA-N 311.835 -0.397 50 20 DBGD CC(C)(CCl)CS(=O)(=O)N1CC(NS(C)(=O)=O)C1 867560690 OXSZUWUSMUHGNK-UHFFFAOYSA-N 318.848 -0.185 50 20 DBGD O=C(CCOC[C@H]1CCCO1)NNC(=O)CN1CCCC1=O 920432904 JERXRXOIUSLKEG-LLVKDONJSA-N 313.354 -0.658 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@H]1COCCC1(OC)OC 931672170 BCMMDJPGIGMGKW-UWVGGRQHSA-N 303.359 -0.700 50 20 DBGD O=C(CN1CCO[C@@H]2COCC[C@@H]21)NNC(=O)c1ccccc1 933969323 SWFYITJBDYMXFK-UONOGXRCSA-N 319.361 -0.063 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c(O)n1 1115941149 PYPHPAPMHMIZIL-UHFFFAOYSA-N 318.289 -0.120 50 20 DBGD CCc1nc(C)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 1261246606 UZQAUPVPNJGBOL-QMMMGPOBSA-N 315.351 -0.259 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)cc1 1318659613 MOLVMVQVOCUDPD-UHFFFAOYSA-N 320.305 -0.602 50 20 DBGD O=C(CN1CCC[C@@H](C(=O)NC2CC2)C1)NNC(=O)C1CC1 1319323705 AYOYTTXKIMJEFE-LLVKDONJSA-N 308.382 -0.466 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cncc(Cl)c1 1319932388 MRBZHBRRVMPDPJ-UHFFFAOYSA-N 320.758 -0.431 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)c1ncccn1 1332639368 NXXAITGOIHYSTG-UHFFFAOYSA-N 301.310 -0.140 50 20 DBGD C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NNC(=O)c1cn[nH]c1 1334929933 IAAZAGOCKHAYHN-JTQLQIEISA-N 324.385 -0.459 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)C[C@]2(O)CCNC2)cc1 1578820916 OYWHQNQIRXFBPU-OAHLLOKOSA-N 307.350 -0.040 50 20 DBGD CC(C)(C)NS(=O)(=O)C1(C=NNC(=O)NCC(=O)O)CC1 1589834095 BAQAUFQWLRIXDH-UHFFFAOYSA-N 320.371 -0.394 50 20 DBGD O=C(CO)NNC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 1592878642 LVGXFPLILQQDFS-UHFFFAOYSA-N 318.706 -0.878 50 20 DBGD Cn1c(C(=O)O)ccc1C(=O)NNC(=O)CN1CCCC1=O 1600904498 YKXNALKBJYTXNP-UHFFFAOYSA-N 308.294 -0.893 50 20 DBGD Cn1nncc1NC(=O)C(=O)NNc1cccc(C(=O)O)c1 1601045263 YOSRKBVOKKLRRN-UHFFFAOYSA-N 304.266 -0.405 50 20 DBGD CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1795107185 BNDMVNJWSPKLOG-WYFGTUCQSA-N 304.774 -0.414 50 20 DBGD CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016070 PYQCTTDTKLXNPO-AYMMMOKOSA-N 323.176 -0.031 50 20 DBGD O=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841354512 FKOTUYVDWLBWHO-LLVKDONJSA-N 314.769 -0.231 50 20 DBGD CN(C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559588 XRIALRXMOOCSFB-GARJFASQSA-N 303.790 -0.651 50 20 DBGD CCOC(=O)NNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12607291 NXNBPFPBWXQPEY-UHFFFAOYSA-N 320.305 -0.143 50 20 DBGD C[C@@H](CBr)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 133911046 LLRARLYBTQNHNK-DTWKUNHWSA-N 304.188 -0.340 50 20 DBGD CCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 139179535 XHCUQUHETLXMDM-UHFFFAOYSA-N 315.355 -0.948 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 139580378 DLXQSGWVWDVALH-UHFFFAOYSA-N 307.310 -0.163 50 20 DBGD CC[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N(C)C 154588353 RRBHAOFHPHQYAR-LBPRGKRZSA-N 317.353 -0.237 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)NCCn2cncn2)cc1 263834680 OLGUGTVUFHOXBX-UHFFFAOYSA-N 318.337 -0.004 50 20 DBGD CCOc1ccccc1C(=O)NCC(=O)NNC(=O)CN(C)C 263901821 CNWCVCIVEGHISD-UHFFFAOYSA-N 322.365 -0.476 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)CCS(C)(=O)=O)cc1 264041152 VPEPMXFRAFKLCG-UHFFFAOYSA-N 313.379 -0.011 50 20 DBGD CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)C(=O)NC1CC1 266815660 QGUOZDNOFCGYPF-MRVPVSSYSA-N 314.342 -0.817 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 270350126 NYBLDDAGJSFOLU-UHFFFAOYSA-N 304.306 -0.576 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 272704424 VNLRGIWNLNJZJE-GAIPPQHRSA-N 320.349 -0.514 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)c3ccccn3)nn2)COC1 273573502 PELGJPOOLUHREM-UHFFFAOYSA-N 316.321 -0.216 50 20 DBGD Cc1ccc(CCC(=O)NCC(=O)NNC(=O)C(C)(C)O)cc1 276316697 VYGSOIBGUKYSQH-UHFFFAOYSA-N 321.377 -0.038 50 20 DBGD Cn1nc(C(=O)NNC(=O)CC(C)(C)O)c2ccccc2c1=O 279897588 JBZGTAJNJCBQQU-UHFFFAOYSA-N 318.333 -0.145 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C 282132700 GLKZOUCIPFUWOA-JTQLQIEISA-N 306.322 -0.002 50 20 DBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1nnc[nH]1)C2=O 294083528 ZDQSKWBYZAADPT-OQPBUACISA-N 321.341 -0.252 50 20 DBGD N#C[C@@H]1COCCN1CC(=O)NNC(=O)c1ccc(F)cc1 298606031 LTRXMKRETHXFNG-GFCCVEGCSA-N 306.297 -0.189 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)CN1CCOCC1 584949210 LHEPDAHGUQVNRB-GFCCVEGCSA-N 306.171 -0.936 50 20 DBGD CCOCCO[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584965109 LZWPWJJFFSJMIW-AWEZNQCLSA-N 307.155 -0.366 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCOCC2(CCOCC2)C1 584974716 JBGHNYATRCLBSW-UHFFFAOYSA-N 319.166 -0.364 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCOC1 584982942 LKSVTQGGTNYLQB-NSHDSACASA-N 311.118 -0.617 50 20 DBGD O=C(N[C@@H]1C[C@@H]2CCCCN2C1)c1cc(B(O)O)ccc1F 584997996 NJYOIZOKXFPPRO-NEPJUHHUSA-N 306.146 -0.138 50 20 DBGD CC(C)(C)N1C[C@H](CNC(=O)c2ccc(B(O)O)cc2)CC1=O 585005491 IEBFZADEBAMRLO-NSHDSACASA-N 318.182 -0.257 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1 726631108 YSYVXPFUFLSGSS-UHFFFAOYSA-N 322.346 -0.002 50 20 DBGD CN1CCN(CC(=O)NNC(=O)CNc2ccccc2)CC1 732262954 JDSKCCXALQIKRA-UHFFFAOYSA-N 305.382 -0.507 50 20 DBGD O=C(NNC(=O)c1ccccc1F)C1=NN2CCCN=C2N1 748014891 WNTBMQCCUZTAQF-UHFFFAOYSA-N 304.285 -0.435 50 20 DBGD CSCCNC(=S)NNC(=O)CNC(=O)c1ccco1 752750545 LTIIFXUXHDCCRK-UHFFFAOYSA-N 316.408 -0.132 50 20 DBGD COCCn1cc(NC(=O)NNC(=O)c2cnccn2)cn1 756068455 ZXANUJKROVNHFN-UHFFFAOYSA-N 305.298 -0.214 50 20 DBGD COC(=O)c1ccc(NNC(=O)CCN2C(=O)CCC2=O)nc1 759731160 RVOHRIQWFDZYAL-UHFFFAOYSA-N 320.305 -0.150 50 20 DBGD C[C@@H]1CC(=NNC(=O)CSc2nnc(O)nc2O)CN1C 761804628 RHFZCAGKDUBNMN-ZCFIWIBFSA-N 312.355 -0.429 50 20 DBGD CCCCNC(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 765252513 QFPPEFMZVAWYKE-SNVBAGLBSA-N 320.415 -0.764 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(F)c1 768506383 QQTQLEZUFVTXCQ-UHFFFAOYSA-N 305.287 -0.012 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C(N)=O)cc2)CC1 773658984 QWQSGMQIQBNVSQ-UHFFFAOYSA-N 305.338 -0.613 50 20 DBGD COc1ccccc1-n1ncc(C(=O)NNC(=O)CO)c1C 799102784 QUCZXCKAAUMSLC-UHFFFAOYSA-N 304.306 -0.057 50 20 DBGD COc1cc(C(C)=NNC(=O)N[C@H]2CCS(=O)(=O)C2)on1 814814639 SJUPTFBXSSVZBM-QMMMGPOBSA-N 316.339 -0.107 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)c2ccccc2F)CC1 816814283 MWVSRJLCRRHSLW-UHFFFAOYSA-N 301.299 -0.592 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)S(N)(=O)=O 826089898 RLDUQBBKEWVXDI-NSHDSACASA-N 324.362 -0.224 50 20 DBGD CO[C@@H](CN)CC(=O)NNc1nc2ccccc2c(=O)n1C 831786686 SIEVXZCOCSRDIS-SECBINFHSA-N 305.338 -0.260 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCC1CCNCC1 846213972 IMERVZMQGWBNNI-LLVKDONJSA-N 316.402 -0.242 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)c1ccncc1 847281095 SDFURXTUQIGXHG-UHFFFAOYSA-N 321.362 -0.661 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 847290226 WDWWNHIOVFXFBT-WDEREUQCSA-N 309.297 -0.137 50 20 DBGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cc[nH]n1)CS2 855362660 TXJUSHRNROPLGN-PELKAZGASA-N 309.351 -0.375 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)OCC(F)(F)F 856025538 SMJYOSASEZCGBQ-UHFFFAOYSA-N 322.261 -0.633 50 20 DBGD CCN1CCC(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858279584 JHMZVFGLUSSFSM-NSHDSACASA-N 311.386 -0.673 50 20 DBGD COC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCCC1 858404188 OFZXQTDDVUIBIK-JTQLQIEISA-N 312.370 -0.055 50 20 DBGD CC1=C(C(=O)NNC(=O)c2cn[nH]c2)[C@H](C)n2nnnc2N1C 862469483 LRPJLWYRVFCUMR-ZETCQYMHSA-N 317.313 -0.858 50 20 DBGD Cc1csc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)c1 862477348 KIUNETVVKKNFGN-UHFFFAOYSA-N 310.379 -0.408 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(O)c1 863465267 ZOMIHTYHQBKIJE-UHFFFAOYSA-N 300.336 -0.240 50 20 DBGD COCCOCC(=O)NNC(=O)C[C@H](OC)C(F)(F)F 869903417 ROWZSCTYRODRFJ-ZETCQYMHSA-N 302.249 -0.236 50 20 DBGD CC(=O)N1C[C@@H]2CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]2C1 880312038 RNPZMIJZBZYFMI-TXEJJXNPSA-N 310.398 -0.410 50 20 DBGD O=C1CN(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)CCN1 899957352 QNTYVICRKOZBMW-UHFFFAOYSA-N 324.768 -0.538 50 20 DBGD O=C(COCC1CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 916144695 JFPWAPHPHYSNDZ-UHFFFAOYSA-N 316.321 -0.150 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@H]1CN(C)CCO1 1118185484 DQUPDBRLUFQCHB-IRCOFANPSA-N 314.386 -0.539 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(F)n1 1118564919 ULLDLNOYNLCZQX-UHFFFAOYSA-N 318.330 -0.401 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNC(=O)c1ccccc1Cl 1317700738 QHCQIWNNBRFNIA-UHFFFAOYSA-N 310.697 -0.347 50 20 DBGD O=C(NNC(=O)c1cccc(C2OCCO2)c1)C(=O)NC1CC1 1319601505 LCFJQFLRRQGQNE-UHFFFAOYSA-N 319.317 -0.228 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccon1 1320348981 LOHVKZQVSZFVIQ-UHFFFAOYSA-N 318.245 -0.197 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 1320455759 CAXIFGVMPHDJHK-UHFFFAOYSA-N 320.415 -0.356 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)CCc1ccccc1O 1322547799 AWFLOKMSHPDTFX-UHFFFAOYSA-N 323.349 -0.375 50 20 DBGD CC(=O)Nc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1C 1326117981 TYWZHDGXCVPCJF-UHFFFAOYSA-N 318.333 -0.007 50 20 DBGD O=C(NNC(=O)c1cn(Cc2ccccn2)nn1)NC1CC1 1329698316 NVWMDJCBESZHMV-UHFFFAOYSA-N 301.310 -0.172 50 20 DBGD N#Cc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1335363911 LQNBAXDNKCISIE-SNVBAGLBSA-N 308.319 -0.854 50 20 DBGD CCOC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCCC1 1335465099 INSXSQHUFRWTLW-UHFFFAOYSA-N 305.139 -0.028 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccc(=O)n(CCOC)c1 1342389121 QOIYLDZKXSYZMC-UHFFFAOYSA-N 312.326 -0.316 50 20 DBGD O=C(NC[C@H]1CNCCC1(F)F)NNC(=O)c1cn[nH]c1 1580663403 BWZLRQUVGHWKOH-MRVPVSSYSA-N 302.285 -0.402 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 1590744784 ZDOYGYSBABVESE-UHFFFAOYSA-N 305.298 -0.161 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1592925471 BYHVDUKLRGCOET-UHFFFAOYSA-N 313.277 -0.142 50 20 DBGD O=C1N[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCO1 1593401721 DNRDDCWUAVJOPR-SSDOTTSWSA-N 304.270 -0.797 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1605618114 GCVLYBDETMEBAL-UHFFFAOYSA-N 312.282 -0.856 50 20 DBGD O=C(COCCO)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843365137 AEEZYWVYEJZNBJ-SNVBAGLBSA-N 308.737 -0.267 50 20 DBGD Cc1c(/C=C/C(=O)NNC(=O)C(=O)N2CCCC2)cnn1C 161804333 FHVCDDWTTZEGEN-AATRIKPKSA-N 305.338 -0.488 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)CNC(=O)c1cccs1 263815319 PCIAFTFBVUWOSB-UHFFFAOYSA-N 312.395 -0.035 50 20 DBGD COc1ccnc(NNC(=O)CCS(=O)(=O)N(C)C)n1 270755492 KJKKLOCJRGJUDY-UHFFFAOYSA-N 303.344 -0.790 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)COc1ccc(F)cc1 292478958 QNTDTODANQCVHF-UHFFFAOYSA-N 312.301 -0.329 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2c(c1)C(=O)NC2=O 295679214 XWDCYLHZIJHFEC-LLVKDONJSA-N 317.301 -0.100 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N1CCCC[C@H]1C 584944504 BDJROUWAKUYEHQ-NEPJUHHUSA-N 318.182 -0.114 50 20 DBGD Cc1nc([C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)n[nH]1 584998750 CFXQSQMMXJAPGB-NSHDSACASA-N 300.127 -0.577 50 20 DBGD O=S(=O)(CCNCc1ccc(B(O)O)o1)c1cccs1 585039434 RMVVLHORJUZRAC-UHFFFAOYSA-N 315.181 -0.416 50 20 DBGD O=C1CCCN1[C@@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585047124 HSOBPJMHVUPLFC-NWDGAFQWSA-N 306.171 -0.017 50 20 DBGD C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@H](B(O)O)C1 585073968 GXJUDVRUALEEQN-NEPJUHHUSA-N 320.154 -0.355 50 20 DBGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)CC(C)C 728958408 IWLIFSNRKGDBIQ-UHFFFAOYSA-N 308.404 -0.308 50 20 DBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C1=COCC1 729629463 HSOGXNTZDVSWOA-UHFFFAOYSA-N 300.278 -0.273 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739297056 HKONDJVVSMBTAD-BQBZGAKWSA-N 311.319 -0.654 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 739671662 YAMPOLGGUFREMF-UWVGGRQHSA-N 320.415 -0.646 50 20 DBGD CO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744837255 PXZKJYODOAUOMN-VIFPVBQESA-N 305.290 -0.103 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 745986545 XXWJXEPGKQPGOU-NSHDSACASA-N 312.370 -0.292 50 20 DBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755890144 JCYBQHCWYIISRI-NXEZZACHSA-N 314.411 -0.057 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)COc2ccccc2F)CCN1 760265690 YXZGFKCQLYCZKV-VIFPVBQESA-N 309.297 -0.122 50 20 DBGD COC[C@@H](C)CC(=O)NNC(=O)CNC(=O)c1cccnc1 763823437 BZZUDCGEZKHGLM-JTQLQIEISA-N 308.338 -0.369 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](CO)OC[C@H]1C 766944667 KOMIMRRMZGLYPT-WOPDTQHZSA-N 301.387 -0.350 50 20 DBGD NC(=O)N[C@H](CO)C(=O)NNc1ccnc(Br)c1 771553658 WZUMFNCIGCGJLJ-ZCFIWIBFSA-N 318.131 -0.684 50 20 DBGD CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)CN(C)C)cn1 779380031 QSUGJWFDHUHAHW-UHFFFAOYSA-N 319.369 -0.374 50 20 DBGD NC(=O)c1ccc(CNS(=O)(=O)CBr)cn1 782467224 JOSNYTXICMSHOM-UHFFFAOYSA-N 308.157 -0.048 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1C1CC1)C(=O)Nc1ccccn1 787435723 UQCABSBWYGGQMN-LLVKDONJSA-N 317.349 -0.206 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCO[C@H]2C[C@H]21 814294874 OVPZEZSQJMFWQW-BDAKNGLRSA-N 324.362 -0.308 50 20 DBGD CCCN1CC[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1 823054084 JZKUMFDYUZVMAU-NSHDSACASA-N 311.386 -0.577 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(C)(C)C1CC1 825732615 ZAJULRLDSLNLRS-MRVPVSSYSA-N 305.400 -0.102 50 20 DBGD CC(C)c1nn(C)cc1C(=O)NNC(=O)CN1CCCC1=O 827832026 ZJRXXLJQNQUJFQ-UHFFFAOYSA-N 307.354 -0.073 50 20 DBGD O=C1C[C@H](CNC(=O)NNC(=O)CCOc2ccccc2)CN1 840400239 VYLZZNFZWVZADC-NSHDSACASA-N 320.349 -0.078 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1 846634228 NWVAOUDLHSGWAL-FKTZTGRPSA-N 303.384 -0.492 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2Cc3ccccc3O2)N1 858134236 MPBOGKCOEVMHSX-QWRGUYRKSA-N 318.333 -0.401 50 20 DBGD CCc1noc(CC)c1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858289070 AMBHFSRCUAAHNV-JTQLQIEISA-N 323.353 -0.092 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)c2c[nH]nc2C)c1 859266308 HXPXTPUISDCWCI-UHFFFAOYSA-N 306.282 -0.838 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cn[nH]c1 862473320 NUEOAUFTADCFRL-VIFPVBQESA-N 305.338 -0.038 50 20 DBGD CCOC(=O)c1c(S(=O)(=O)NN(C)C(=O)OC)n[nH]c1C 912553006 LWICQAOKZAZYFS-UHFFFAOYSA-N 320.327 -0.214 50 20 DBGD C[C@H](OCC1CC1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 920773313 MXTMJSKPQCGKCQ-WCBMZHEXSA-N 304.368 -0.616 50 20 DBGD NC(=O)[C@H]1CCCCN1CC(=O)NNC(=O)c1ccc(F)cc1 921208487 DUWWSCDGHFLWIV-GFCCVEGCSA-N 322.340 -0.074 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NCc1nnnn1C1CC1 1116175977 PDIYXBUEFINRJR-UHFFFAOYSA-N 307.236 -0.209 50 20 DBGD CN(Cc1cn(C)nn1)C(=O)NNC(=O)c1cccc(F)n1 1118567479 YXOMNECOOIVIJN-UHFFFAOYSA-N 307.289 -0.164 50 20 DBGD O=C(NCCC(=O)N1CCOCC1)NNC(=O)c1ccc[nH]1 1317862754 BWAAJEBIMJCAAD-UHFFFAOYSA-N 309.326 -0.792 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)N(C)C)cc1 1320705080 LLRDLQKKQHSJKJ-UHFFFAOYSA-N 300.340 -0.489 50 20 DBGD CCCOc1ccc(CNC(=O)NNC(=O)C(=O)OC)cn1 1322250086 XKVCAFGOXJCXFO-UHFFFAOYSA-N 310.310 -0.126 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F 1326004721 OKTFCXGNUWSHJH-UHFFFAOYSA-N 323.231 -0.829 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1328084860 CEAKAQUUVOHOGZ-SNVBAGLBSA-N 320.305 -0.242 50 20 DBGD Cc1ccncc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1328219824 HMRRKYMLBADJFR-UWVGGRQHSA-N 306.322 -0.099 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](CO)c1cnn(C)c1 1329252466 IIXOHDFIYSPCLD-LSJOCFKGSA-N 311.342 -0.791 50 20 DBGD CCOCCCNC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1337046528 GPROAAACHSBGEF-SECBINFHSA-N 323.440 -0.657 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Sc1nncn1C 1338843016 BVBVPIZIZSRNRF-SSDOTTSWSA-N 309.355 -0.212 50 20 DBGD CCOC(Cn1cc(C(=O)NNc2nc[nH]n2)nn1)OCC 1343973719 ZAEYDJLWWAZDIT-UHFFFAOYSA-N 310.318 -0.448 50 20 DBGD CC(C)(O)C(=O)NNC(=O)/C=C\c1ccccc1-c1nn[nH]n1 1589326464 FVPRMPKOYXBHRH-FPLPWBNLSA-N 316.321 -0.202 50 20 DBGD CC(C)C[C@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)O 1591174041 URBRRLWNEIWRCU-LBPRGKRZSA-N 309.127 -0.639 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@@H]1COC(=O)C1 1606858220 MAYNKSQWDBITTH-ZETCQYMHSA-N 304.270 -0.797 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN(Cc2ccccc2)C1=O 1608478197 WNSFLNDNVJYYCC-SNVBAGLBSA-N 320.305 -0.798 50 20 DBGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236828 PPNRZHOLYFLXLY-SSDOTTSWSA-N 321.171 -0.716 50 20 DBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)NCC1CC1 65191684 JHDZRFPBYVJFLQ-UHFFFAOYSA-N 309.326 -0.181 50 20 DBGD O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C1CC1 275789229 KRHRGWAVCLIHLZ-QWHCGFSZSA-N 321.377 -0.015 50 20 DBGD CC[S@](=O)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 278768278 WWGADIUUAOSHFY-NRFANRHFSA-N 312.347 -0.013 50 20 DBGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCCO1 293410083 PABAAJWAUMEKGG-JTQLQIEISA-N 322.321 -0.255 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NCCCN1C(=O)CNC1=O 491291560 BEXIENJPBDEACU-UHFFFAOYSA-N 315.330 -0.333 50 20 DBGD C[C@H](CN1CCCC1=O)NC(=O)c1cc(B(O)O)ccc1F 584935196 BGKVOJVUIMWJQC-SECBINFHSA-N 308.118 -0.754 50 20 DBGD O=C1C[C@@]2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CN1 584954392 FWZLFNKMRHUCSN-HNNXBMFYSA-N 302.139 -0.891 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584968130 IFDPINKLYAWWIC-SKDRFNHKSA-N 308.118 -0.850 50 20 DBGD CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)cc1 584979130 LLWLUPQGGRKXSB-CYBMUJFWSA-N 304.155 -0.647 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](C(=O)N2CCCC2)C1 584989785 JFMKEHUTAFFYNY-ZDUSSCGKSA-N 316.166 -0.549 50 20 DBGD Cc1nnc(NC(=O)c2ccc(B(O)O)c(F)c2)n1C1CC1 584993211 HDZTVYIIWMQMAD-UHFFFAOYSA-N 304.090 -0.007 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](n2ccnn2)C1 584999822 DVRSBCSRVWVZGH-NSHDSACASA-N 318.117 -0.426 50 20 DBGD C[C@@H](CCN1CCOCC1)NCc1ccc(B(O)O)cc1F 585032771 LMEGYOPWZCBKCK-LBPRGKRZSA-N 310.178 -0.294 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H]1CCCOC1 725871509 MENYGKNMSMPDTG-JTQLQIEISA-N 324.337 -0.234 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)c2c[nH]nc2C)CC1 735516727 YGDLLXPEDHOEQL-UHFFFAOYSA-N 308.386 -0.493 50 20 DBGD COC(=O)C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 752338568 RUKQGXIKDRRDQM-JTQLQIEISA-N 315.370 -0.556 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 763266266 PXFDXXUKLXTLQU-NSHDSACASA-N 310.358 -0.224 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 764421579 NMGXKJPVVMOTAI-UHFFFAOYSA-N 321.211 -0.495 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)C(C)(C)C(N)=O)c1 767433323 ZIIAJIZAZCOFEG-UHFFFAOYSA-N 309.322 -0.024 50 20 DBGD CC(C)n1nc(C(=O)NNC(=O)CO)c2ccccc2c1=O 777781587 BQQMVIGNXBDHJO-UHFFFAOYSA-N 304.306 -0.269 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1nccc2sccc12 783439220 JRWJQGRKARFJKX-UHFFFAOYSA-N 321.362 -0.056 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 815569109 HYMAUBBNBMOOPN-LLVKDONJSA-N 321.333 -0.077 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)c2ccccc2)n1 816816554 AGKHOEZFBZFHND-UHFFFAOYSA-N 301.310 -0.405 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)N1CCOCC1)C(C)=O 824621229 KJPITAQLYREOSE-JTQLQIEISA-N 315.326 -0.782 50 20 DBGD CC(C)OC[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)(C)C 827016212 MCQCCAXGMSQZKU-JTQLQIEISA-N 317.386 -0.010 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)NCC(F)F 827274791 QSFNXZZYOAHOJD-RNFRBKRXSA-N 308.285 -0.877 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCCO1 833250107 CEWAAOKPONZSDP-SNVBAGLBSA-N 321.399 -0.626 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 843973614 YSOFGRFJIMXOMS-JOYOIKCWSA-N 321.333 -0.306 50 20 DBGD O=C(NNc1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)N1 845474951 NUKCTZCWHCVVHA-VIFPVBQESA-N 323.334 -0.129 50 20 DBGD C[C@H]1COCCN1C1CCN(CC(=O)NNC(=O)C2CC2)CC1 846910877 DVHCNGATXCIYTF-LBPRGKRZSA-N 324.425 -0.271 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)N1 858190235 FBOPJFFCCLKBJL-GMTAPVOTSA-N 309.370 -0.778 50 20 DBGD C[C@@H]1SCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1C 858695869 GNENCCFMRUYHQH-VGMNWLOBSA-N 300.384 -0.168 50 20 DBGD Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 861945884 DXVQTVHGABFPQO-JTQLQIEISA-N 318.333 -0.332 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](O)CCc1ccccc1 863464898 XDCAFJGLANDDQI-LLVKDONJSA-N 314.363 -0.828 50 20 DBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)COCCOC 865244413 PECINRFKUOMULN-NSHDSACASA-N 318.443 -0.371 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1cc(F)ccc1F 885141754 LHTWBKUHCXJWDA-UHFFFAOYSA-N 308.310 -0.196 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 913164673 OCOPWIGVYPPCKA-MRVPVSSYSA-N 307.306 -0.257 50 20 DBGD CCn1cc(NC(=S)NNC(=O)C(=O)N2CCCC2)cn1 1115945990 TZAQPGGZNFYSHQ-UHFFFAOYSA-N 310.383 -0.157 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCc2ncncc2C1 1118276760 SAYRDKDMBBDDCX-VIFPVBQESA-N 300.322 -0.305 50 20 DBGD CONC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1318469911 HTCNTOIZXZBLTL-UHFFFAOYSA-N 301.328 -0.515 50 20 DBGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 1318821165 BSRMZWDGOIFWEF-MRVPVSSYSA-N 321.381 -0.358 50 20 DBGD O=C(CCc1nc[nH]n1)NNc1nccc(N2CCOCC2)n1 1319719256 MXEDDOFUEIGOHJ-UHFFFAOYSA-N 318.341 -0.493 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 1325519807 QIQBIAOEEXLMOK-UHFFFAOYSA-N 315.355 -0.432 50 20 DBGD COC(=O)C(=O)NNC(=O)NC1CCN(C2CCCC2)CC1 1330963172 ILKVUXJIWGLKMF-UHFFFAOYSA-N 312.370 -0.103 50 20 DBGD C[C@H](O)CN(C)NC(=O)CNS(=O)(=O)c1ccccc1 1334203461 SNKNOGMHAUHPFL-JTQLQIEISA-N 301.368 -0.691 50 20 DBGD C=CCCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)nn1 1348971355 CRYJXSMZFBWQAS-UHFFFAOYSA-N 306.326 -0.762 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)[C@H](C)N 1575416636 ZOUKSKLIVXNNCA-JOYOIKCWSA-N 310.354 -0.224 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cncc(C(=O)O)c1 1589909147 WJXPMJTXRBAJAI-UHFFFAOYSA-N 309.282 -0.589 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1590735717 ACAFAGUHCXPVQT-SNVBAGLBSA-N 318.341 -0.575 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)C[C@@H]1C(=O)O 1591111882 WYNDQPGXUXZLLG-LPEHRKFASA-N 301.343 -0.912 50 20 DBGD O=C(NCc1cccc(C(=O)O)c1)NNC(=O)c1ncon1 1594771605 INXLNDJEICDUDR-UHFFFAOYSA-N 305.250 -0.088 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1605699001 ZLDAMGKNVIODKM-VHSXEESVSA-N 320.305 -0.930 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc2cnccc12 1610714243 LCQQHDJXVBFKDL-UHFFFAOYSA-N 302.246 -0.595 50 20 DBGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1783053533 IPCKTAIENJUKQH-FZMZJTMJSA-N 314.769 -0.297 50 20 DBGD CC(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841418641 LYSITOFZHKLPDM-GHMZBOCLSA-N 318.801 -0.194 50 20 DBGD Cc1nnc(NNC(=O)COc2ccc(C#N)cc2)[nH]c1=O 11335258 NNGAPLFVIJYCTC-UHFFFAOYSA-N 300.278 -0.133 50 20 DBGD O=C(NCc1ccco1)NNC1=c2ccc(F)cc2=NC1=O 143943797 VNTVHDZMQZLQAX-UHFFFAOYSA-N 302.265 -0.309 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)CCc1ccccc1O 264419744 WGGSUADWNKRVER-UHFFFAOYSA-N 314.363 -0.093 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)C2CCC2)C1=O 264751174 LEXBFGWEVGBGJD-CQSZACIVSA-N 308.338 -0.346 50 20 DBGD O=C(CNCC(F)(F)F)NNC(=O)CNC(=O)c1ccco1 265039977 QCZYRVDBMMLUPX-UHFFFAOYSA-N 322.243 -0.691 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H](O)c1cccnc1 271411207 LVYRVNRDPYXHRK-VIFPVBQESA-N 300.409 -0.027 50 20 DBGD COC(=O)N(C)NC(=O)CCNS(=O)(=O)c1cccnc1 286219445 FMSLAEPGBKFWFY-UHFFFAOYSA-N 316.339 -0.521 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc(C3CC3)nc2N)cn1 288202149 YJFGQMDOXOSLPZ-UHFFFAOYSA-N 301.310 -0.256 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)OCC)n1 496926845 QYQXQSBEQZEDOQ-UHFFFAOYSA-N 300.275 -0.376 50 20 DBGD O=C(NCC1(O)CCSCC1)c1ccc(B(O)O)c(F)c1 584956048 ZIYJPSZSOVOGEU-UHFFFAOYSA-N 313.159 -0.507 50 20 DBGD O=C1CN(C(=O)c2cccc(B(O)O)c2)[C@H]2CCCC[C@H]2N1 584957360 GAEYNSXAQHVCHP-OLZOCXBDSA-N 302.139 -0.750 50 20 DBGD O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(B(O)O)cc1 584987900 XHJBQXMMLWOHFR-CHWSQXEVSA-N 302.139 -0.750 50 20 DBGD Cc1noc(C23CC(CN2C(=O)c2ccc(B(O)O)cc2)C3)n1 585010470 RVOFJWJLZROZBN-UHFFFAOYSA-N 313.122 -0.181 50 20 DBGD C[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)CCC1=O 727735593 CRHLNZRQHAXBBY-SECBINFHSA-N 314.301 -0.143 50 20 DBGD Cn1cccc1C=NNC(=O)CSc1nnc(O)nc1O 730558833 SIYNUORQUAMUSQ-UHFFFAOYSA-N 308.323 -0.136 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(NC(N)=O)cc2)cn1 735473112 NDUXYPQZCATGOI-UHFFFAOYSA-N 302.294 -0.015 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(CC(=O)O)cc1 737124064 ULWSZFHWOTYUGR-UHFFFAOYSA-N 301.324 -0.174 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc2c(nc1O)CCC2 745986624 ZQBMPMWNUDJCHQ-UHFFFAOYSA-N 306.322 -0.038 50 20 DBGD CC(C)CCO[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048475 SWQGIEHAMUHTLF-NXEZZACHSA-N 323.415 -0.477 50 20 DBGD CN(NC(=O)c1cc(F)ccc1NS(C)(=O)=O)C(N)=O 770439566 KHCZXUCHWOQXBU-UHFFFAOYSA-N 304.303 -0.148 50 20 DBGD O=C(NNS(=O)(=O)c1ccc2c(c1)OCO2)c1cnccn1 777915823 SLQUYSAJUQJOKU-UHFFFAOYSA-N 322.302 -0.171 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@H]1CCOC1 778708209 IHNMFYNBSXMLIX-QMMMGPOBSA-N 302.331 -0.370 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)Cc1cc[nH]n1 778751007 JPRWHDHVFOXQTJ-UHFFFAOYSA-N 317.305 -0.765 50 20 DBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NN=c1cc[nH]cc1 780759241 FOUQGNOLADLOIZ-UHFFFAOYSA-N 322.346 -0.084 50 20 DBGD CN(CC(=O)NNc1ccnc(F)c1)[C@H]1CCS(=O)(=O)C1 781435214 BNMOBPHBEDXIJL-JTQLQIEISA-N 316.358 -0.217 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCC(=O)N(C)C 785832532 YPNRMTNVTWJXMW-SECBINFHSA-N 301.343 -0.266 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CC1)[C@@H](C)C(=O)NNC(=O)C1CC1 790112542 YQBZTBADYBIUBJ-OCAPTIKFSA-N 310.354 -0.627 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)N=c3cc[nH]cc3)nn12 802036546 ZRXLSOFBPVCDSA-UHFFFAOYSA-N 312.293 -0.284 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CN(CC)CCO1 805475833 CQZRIAATHHEMSL-ZJUUUORDSA-N 301.343 -0.804 50 20 DBGD C[C@H]1CSC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 807475811 OOQINKKJORJGEZ-IUCAKERBSA-N 300.384 -0.309 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1nc(C)cc(C)n1 816837483 WAICVYZKEPBPGP-VIFPVBQESA-N 301.372 -0.136 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccnc1S 822073471 GNYWKMUYTLENQV-SSDOTTSWSA-N 315.376 -0.434 50 20 DBGD O=C(O)Cn1cc(S(=O)(=O)NNC(=O)C2CCCC2)cn1 833274600 HIMXPQUCTBZFLP-UHFFFAOYSA-N 316.339 -0.533 50 20 DBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842585549 CDYJUEOMEBREJN-DTWKUNHWSA-N 302.356 -0.239 50 20 DBGD C[C@@H](CC(=O)NNC(=O)CO)n1cc(Br)cn1 844136929 JRKBNWIVOPLJEB-LURJTMIESA-N 305.132 -0.264 50 20 DBGD COC(=O)COCC(=O)NNc1ncc(Br)cn1 848391973 RVLIQYUQIZGKLG-UHFFFAOYSA-N 319.115 -0.128 50 20 DBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@H]1CCNC1 851672753 TZSBNBFJDDELSJ-VIFPVBQESA-N 323.309 -0.334 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCNC2=O)cc1C 854261259 XKAIZLIOBHBRPA-NSHDSACASA-N 318.333 -0.475 50 20 DBGD COc1ncc(/C=C/C(=O)NNC(=O)N2CCN(C)CC2)cn1 854378940 ISPFNGGQSDHSOX-ONEGZZNKSA-N 320.353 -0.513 50 20 DBGD CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1(C)C 858264621 CGDHGCJFYZVCKV-ATEUNZGCSA-N 312.370 -0.201 50 20 DBGD COc1cccc([C@@H](OC)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862463841 NIUVRDYOAHCACD-DGCLKSJQSA-N 321.333 -0.191 50 20 DBGD Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)CS(C)(=O)=O)c1 863462876 MAGMQEQCYACAMN-UHFFFAOYSA-N 315.307 -0.291 50 20 DBGD CN(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCC1 863852656 UWVNNYLJRGLHLC-SECBINFHSA-N 303.384 -0.947 50 20 DBGD CCOC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863870710 MMOXDXCMOKQNSD-UHFFFAOYSA-N 306.127 -0.719 50 20 DBGD C[C@@H](CNC(=O)NNc1nncc(N)c1Cl)S(C)(=O)=O 1116376465 BLNHOOQKRFOGHK-YFKPBYRVSA-N 322.778 -0.229 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1cccnn1 1254614210 CTKFJIDIXFXEDD-QMMMGPOBSA-N 302.381 -0.160 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(OC)c1C 1255507665 AWWOQPHIAYOXRU-UHFFFAOYSA-N 323.305 -0.429 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=S)NC(C)C)CC1=O 1317793659 IZGKQFOZOAVOBL-SECBINFHSA-N 302.400 -0.615 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)COc1cccc(C)c1 1317975022 LBJAGAABQIMCCJ-UHFFFAOYSA-N 323.349 -0.326 50 20 DBGD C#CCOCCN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 1324516672 UUCIGXKMAGNUQU-UHFFFAOYSA-N 314.345 -0.099 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCS1(=O)=O 1329169061 NSNOKKWECGSLHN-HTQZYQBOSA-N 306.340 -0.947 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cn([C@@H]2CCCNCC2)nn1 1333635764 LOBALKZXQDLOKN-SNVBAGLBSA-N 309.374 -0.101 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1335082878 FPQVGZCLBATIRR-WPRPVWTQSA-N 312.370 -0.647 50 20 DBGD COC(=O)N(C)NC(=O)NCCN1CCC2(C1)OCCO2 1347874287 JAZZOMRRAWOXBE-UHFFFAOYSA-N 302.331 -0.652 50 20 DBGD CC(C)(C)OC(=O)CCCC(=O)NNC(=O)C(=O)NC1CC1 1349468382 BRQMPRVCDTUHIM-UHFFFAOYSA-N 313.354 -0.076 50 20 DBGD CN1CCNC[C@H]1C(=O)NNc1cc(O)nc2ncccc12 1578538354 LIALCLQTJILJAA-NSHDSACASA-N 302.338 -0.318 50 20 DBGD CC(C)CCn1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)n1 1591274363 JZEXTSVXMPEJMQ-UHFFFAOYSA-N 311.298 -0.900 50 20 DBGD Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NNC(=O)CCO 1600350708 KIUDSWFUKLERLC-UHFFFAOYSA-N 309.278 -0.838 50 20 DBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 1602969583 BGEFWLCMVZWGDR-SNVBAGLBSA-N 311.294 -0.486 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1606607395 OYMLJWAZEQAVTR-UHFFFAOYSA-N 313.277 -0.142 50 20 DBGD Cc1coc(CC(=O)O)c1C(=O)NNC(=O)Cc1cc[nH]n1 1607921340 UDLFEESKCVYDQA-UHFFFAOYSA-N 306.278 -0.058 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1ccccc1C(=O)O 1608323961 DTEWCDTXNZOAII-UHFFFAOYSA-N 318.289 -0.232 50 20 DBGD Cn1nnnc1CCNC(=O)NNc1cccc(C(=O)O)c1 1610617860 LTLPBMDRPSLVOV-UHFFFAOYSA-N 305.298 -0.223 50 20 DBGD C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1800749523 RPCDQZSUGSLDBS-CIQUZCHMSA-N 308.737 -0.509 50 20 DBGD O=C(COc1ccccc1)NCC(=O)NNC(=O)NC1CC1 64428975 LMLPFGRODQPHMN-UHFFFAOYSA-N 306.322 -0.326 50 20 DBGD NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NNC(=O)C1CC1 112975926 GYENMOLUOJPSBI-ZDUSSCGKSA-N 316.361 -0.544 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)NCc2ccco2)nn1 266983577 GSFUVALVIHMZFK-UHFFFAOYSA-N 322.281 -0.812 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)CC2CC2)n1N 294183123 OJPPYMADFLUSNT-UHFFFAOYSA-N 312.399 -0.016 50 20 DBGD C[C@H]1CC(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 378521695 ZKBTURGEEAQFKN-NSHDSACASA-N 304.350 -0.342 50 20 DBGD O=C(NC1CCN(C2CC2)CC1)c1ccc(B(O)O)c(F)c1 584928822 MUWCMABHYKPTES-UHFFFAOYSA-N 306.146 -0.138 50 20 DBGD C[C@H]1CCCN(CCNC(=O)c2ccc(B(O)O)c(F)c2)C1 584929741 OWNRSYHMQKYSAN-NSHDSACASA-N 308.162 -0.033 50 20 DBGD Cc1ccc([C@@](C)(O)CNC(=O)c2cccc(B(O)O)c2)o1 584954145 IQUCQCVWIOJPOA-HNNXBMFYSA-N 303.123 -0.095 50 20 DBGD CC[C@](NC(=O)c1cc(B(O)O)ccc1F)(C(N)=O)C(C)C 584972912 JLQUQDRZDAEFJP-CQSZACIVSA-N 310.134 -0.475 50 20 DBGD CCn1cc(CN(CCO)C(=O)c2cccc(B(O)O)c2)cn1 584985862 QQMCMHSKCNVZDW-UHFFFAOYSA-N 317.154 -0.783 50 20 DBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1cnn[nH]1 729457751 VVUIAANOSJTHPY-YFKPBYRVSA-N 323.342 -0.932 50 20 DBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)C1CCC1 732292791 UNUFRPBXOSEXFY-UHFFFAOYSA-N 317.353 -0.187 50 20 DBGD COc1ccc(C=NNC(=O)CN(C)C)cc1-c1nn[nH]n1 737082744 YWDFFCZXRHJEMX-UHFFFAOYSA-N 303.326 -0.113 50 20 DBGD NC(=O)[C@H](NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)cc1 737735355 CJLDSIOUGXATID-SNVBAGLBSA-N 301.310 -0.576 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)CN1CCOCC1 739050790 YBNNGHGTGXPHNQ-NSHDSACASA-N 324.385 -0.668 50 20 DBGD COc1cc(C)nc(NNC(=O)CN(C)CC(=O)NC(C)C)n1 746624087 SQNXDMVEFMAYPU-UHFFFAOYSA-N 324.385 -0.307 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 746860314 ZEJGEFLLSHLNNL-QMMMGPOBSA-N 321.399 -0.881 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1ccccn1 766735204 VEKIZSVTHXRESP-UHFFFAOYSA-N 307.354 -0.701 50 20 DBGD CC(CC(=O)NNC(=O)C1CC1)CC(=O)NNC(=O)C1CC1 767408966 AQKLYGDVKZLVAZ-UHFFFAOYSA-N 310.354 -0.483 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1cncc(Cl)n1 780880095 VRPBSBMDJORFCT-UHFFFAOYSA-N 324.732 -0.091 50 20 DBGD Cc1nc(O)c(C(=O)NNC(=O)CO)cc1Br 781970347 VKGPXUHQMLLJJW-UHFFFAOYSA-N 304.100 -0.389 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnc(Cl)cn1 787887609 YMPNDNBLFWVCKZ-UHFFFAOYSA-N 323.696 -0.086 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)c(Cl)cc1F 806980380 NYRVMPFNCAXGNV-UHFFFAOYSA-N 303.677 -0.134 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)Nc1ccc2c(c1)OCCO2 813470658 PPJOQWZSTXVURT-UHFFFAOYSA-N 320.305 -0.111 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)CO)cc(OC)c1C 815570485 DBVSGABURBHVCV-UHFFFAOYSA-N 311.294 -0.910 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1nc[nH]n1 816633759 LSJFFGHRRMLVJT-VIFPVBQESA-N 316.387 -0.158 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cnc2nc(O)nc(O)c2c1 817216273 RVGSGZGBWNYWFV-MRVPVSSYSA-N 319.277 -0.624 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 826946457 OCXGYFSVAXVNGD-BJDJZHNGSA-N 324.381 -0.105 50 20 DBGD O=C(NNc1cc(F)c(F)c(F)c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830837208 DFNUIXUYDYVEMF-CKYFFXLPSA-N 318.251 -0.040 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843980344 UARRPGUASVHHSG-ZJUUUORDSA-N 321.399 -0.722 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1cccc(Cl)n1 846212593 MNXHASYGSGZMPO-UHFFFAOYSA-N 321.790 -0.084 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)CC2CCCC2)n1 846632940 HGSRBAOEGXPREU-UHFFFAOYSA-N 307.358 -0.139 50 20 DBGD CNC(=S)N(C)NC(=O)CSCC(=O)N1CCOCC1 854928017 MLNZPNXVQIIFAF-UHFFFAOYSA-N 320.440 -0.954 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCCC3)N1 862459441 TZOSAVFUSLTXHX-JTQLQIEISA-N 305.338 -0.282 50 20 DBGD Cc1cc(=NNC(=O)C2CCN(S(N)(=O)=O)CC2)cc[nH]1 862508993 CBKDCNQUNKLAHE-UHFFFAOYSA-N 313.383 -0.829 50 20 DBGD COc1ccc(C)cc1CC(=O)NNC(=O)CS(C)(=O)=O 863459085 KHWAKQHAHLIBQG-UHFFFAOYSA-N 314.363 -0.262 50 20 DBGD CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 863871890 FXEQIDLBZUDVBH-CYBMUJFWSA-N 305.139 -0.076 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)F)c1cccnn1 882056624 BBSWLZFKFODVQB-VIFPVBQESA-N 315.280 -0.797 50 20 DBGD C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 912854744 QWPCACNQNYJARL-SKDRFNHKSA-N 316.317 -0.248 50 20 DBGD CCCNC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 921042435 URHSGOYBWADWCR-GAIPPQHRSA-N 320.349 -0.466 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 1254905311 NFEGGMRIXCZBLA-UHFFFAOYSA-N 317.305 -0.455 50 20 DBGD COc1ccnc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 1261479921 ADTZECWIHYLQME-MRVPVSSYSA-N 313.339 -0.695 50 20 DBGD C[C@@]1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCCOC1 1319956939 WLJKENSGSWNJPX-JOYOIKCWSA-N 319.383 -0.679 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnn1CC(F)F 1321008107 QRZCJLLITZNGLT-UHFFFAOYSA-N 303.269 -0.566 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1cccc(F)c1[N+](=O)[O-] 1322359171 SZAJMGQGDTUWBS-UHFFFAOYSA-N 311.229 -0.271 50 20 DBGD CN(C)N(C(=O)CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1326111918 MPXSUJBDDOWMHD-SNVBAGLBSA-N 301.372 -0.840 50 20 DBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326832427 JPFFGPGSSZWNDT-DTWKUNHWSA-N 323.353 -0.507 50 20 DBGD COc1ccccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 1337975098 SFTNPKGRQLEGPN-UHFFFAOYSA-N 317.305 -0.253 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)NCC(F)(F)F 1344525101 YHLNBEUVVHPRAH-RXMQYKEDSA-N 305.278 -0.440 50 20 DBGD CC(C)(C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)S(C)(=O)=O 1549321820 VCNJPDORYZWGOW-QWRGUYRKSA-N 317.411 -0.225 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1=O 1574719715 MPUNKLZLXDLWNS-MRVPVSSYSA-N 311.273 -0.618 50 20 DBGD Nc1cc(N2CC[C@H](B(O)O)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] 1592759425 AOLFHOWCISNWHZ-LURJTMIESA-N 319.090 -0.590 50 20 DBGD O=C(C[C@@H]1C=CCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952863 WSIWNHHBDIPNQB-ZJUUUORDSA-N 301.368 -0.140 50 20 DBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)NC)cn1C 273551518 AIJLCWRTQKWZSN-UHFFFAOYSA-N 304.328 -0.676 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c1 281074346 DOPVWNKWTYJWPT-QWRGUYRKSA-N 307.306 -0.051 50 20 DBGD C[C@@H]1CC(=O)N[C@H](C(=O)NNC(=O)COc2ccccc2O)C1 293223882 BQBWTKWICZULRW-UWVGGRQHSA-N 321.333 -0.167 50 20 DBGD O=C(CCn1ccnn1)NNC(=O)c1ccc2c(c1)OCCO2 298140576 HARUXZFEKRSHPG-UHFFFAOYSA-N 317.305 -0.099 50 20 DBGD CCc1ccccc1N1C[C@H](C(=O)NNC(=O)CO)CC1=O 367704788 KYHBLOXYUCXGTD-LLVKDONJSA-N 305.334 -0.258 50 20 DBGD COC(=O)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 495325809 BDBQOZKLCFRTEW-UHFFFAOYSA-N 309.326 -0.057 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@]1(F)CCOC1 496958528 STIFLUALLMUMAJ-GFCCVEGCSA-N 305.306 -0.213 50 20 DBGD Cc1nc(SCCC(=O)Nc2cccc(B(O)O)c2)n[nH]1 584911115 HZLGDLYWQOMURD-UHFFFAOYSA-N 306.156 -0.086 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)C1(n2cnnn2)CCCCC1 584911917 OMAZYGBUDUZXGG-UHFFFAOYSA-N 315.142 -0.349 50 20 DBGD Cc1cc(C[C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)n[nH]1 584964508 IVTLGPICXNCFHR-QMMMGPOBSA-N 305.118 -0.102 50 20 DBGD CCN1CCO[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585054221 KGHGLDDJCKPZAI-GFCCVEGCSA-N 303.127 -0.190 50 20 DBGD O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CC[C@@H](B(O)O)C1 585073288 BMGGURGJHIYILN-UTUOFQBUSA-N 322.170 -0.373 50 20 DBGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)CN(C)C)c1 727647970 PWVPUUXOBCEBEL-UHFFFAOYSA-N 312.395 -0.004 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCC2)C1 732142993 OBTGQCRNYXEZSR-NSHDSACASA-N 317.411 -0.004 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cnn(-c2ccccc2)c1 733082566 ZCFDBRXZVLMODA-UHFFFAOYSA-N 318.362 -0.534 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1nccnc1Cl 734260725 IEAFXIPIGACHOO-UHFFFAOYSA-N 320.700 -0.342 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)O)CC1 736401721 LDMOCJCCIRHCTG-SNVBAGLBSA-N 300.359 -0.136 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-n2cccn2)nc1 745988190 UTCADFXVSPAFGT-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD COc1csc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 746823900 FXYKSIXQTXUZCX-ZETCQYMHSA-N 318.376 -0.048 50 20 DBGD C[C@@]1(O)CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 748832451 JIKVLZXPTROEDZ-CQSZACIVSA-N 322.321 -0.188 50 20 DBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CN1CCCC1=O 751611137 BRPIYGZMFMZWJX-VIFPVBQESA-N 322.321 -0.832 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)c1c(C)nc2ccccn12 754976879 MAUWVRNXGJSTGI-AWEZNQCLSA-N 306.322 -0.199 50 20 DBGD Cc1cn2ccnc(C(=O)NNC(=O)N3CCOCC3)c2n1 761664897 LUOPPTNNHFFEKN-UHFFFAOYSA-N 304.310 -0.276 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 763442530 AEXDBMONUCKQRR-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)nc1 764325013 AIAXXHJCFPLCDA-UHFFFAOYSA-N 324.337 -0.009 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 768410079 PBDHUTVOCDZXLT-UHFFFAOYSA-N 305.294 -0.478 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)[C@H](C)OCCOC)[C@@H]1CCCO1 776225184 CJLCPWRUEWTZFL-SRVKXCTJSA-N 313.354 -0.451 50 20 DBGD CC(C)[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777583104 MCIMCUZEYZSZHO-LBPRGKRZSA-N 324.406 -0.035 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@@H](C)OCCOC 788890451 FUBSEYTYFJWTSJ-VHSXEESVSA-N 318.374 -0.765 50 20 DBGD O=C(COCc1ccccn1)NNC(=O)C(=O)N1CCCC1 805170937 ABGKIOSZQAMEAV-UHFFFAOYSA-N 306.322 -0.632 50 20 DBGD COC(=O)COCC(=O)NNC(=O)c1cccc(N(C)C)c1 806272745 LFPIXZLRDRWQAF-UHFFFAOYSA-N 309.322 -0.297 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCC1(O)CCC1 807264547 RXBUAFZJBBBQNK-SNVBAGLBSA-N 303.359 -0.327 50 20 DBGD CON(C)C(=O)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 812872532 USEKNUCUYIUSQE-UHFFFAOYSA-N 312.370 -0.724 50 20 DBGD NS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCCC2)C1 821754784 RAVZVKICCJTVBV-SNVBAGLBSA-N 318.399 -0.761 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1=O 827369698 JKCMXODLECHBMB-VIFPVBQESA-N 300.359 -0.247 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)C2=NN3CCCN=C3N2)n1 831988891 UQVAAJQMGVLFJI-UHFFFAOYSA-N 309.721 -0.866 50 20 DBGD CON1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1 846978681 NDHGKNNJARFVIC-UHFFFAOYSA-N 320.393 -0.136 50 20 DBGD C[C@H](NC(=S)NNC(=O)CCn1ncn(C)c1=O)C1CC1 855097295 NPYUZIATLAARHB-QMMMGPOBSA-N 312.399 -0.734 50 20 DBGD NC(=O)C1=NO[C@@H](CNC(=O)NNc2ncc(Cl)cn2)C1 856903929 WBAVDCBXRFWCRN-ZCFIWIBFSA-N 313.705 -0.614 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@]1(C)CC=CCC1 857116834 QKPCTEFSCUXRCN-JOYOIKCWSA-N 303.384 -0.182 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 861576516 HARSKVRQIRSWBE-NXEZZACHSA-N 315.370 -0.162 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NC[C@@H]1COCCN1 861682685 URHVCPBHOCWPSL-SNVBAGLBSA-N 308.338 -0.372 50 20 DBGD CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccccc1B(O)O 863891611 VMZOTDIXKQKWHR-HNNXBMFYSA-N 309.171 -0.451 50 20 DBGD Cc1cc(CC(=O)NNC(=O)CN(C)[C@H]2CCSC2)n[nH]1 869015585 SSHNVXRFFJKJCS-NSHDSACASA-N 311.411 -0.155 50 20 DBGD C[C@H]1CCCN1CCNC(=O)NNC(=O)C(=O)N1CCCC1 897480404 ZADNVFMNBYTNKX-NSHDSACASA-N 311.386 -0.577 50 20 DBGD COCCn1nc(C(=O)NNC(=O)c2cccn2C)ccc1=O 1115817453 DNINARQMTVSPCW-UHFFFAOYSA-N 319.321 -0.697 50 20 DBGD Cc1cc(=O)c(C(=O)NNC(=O)N2CCN(C)CC2)cn1C 1118271426 OBPCDKUMFMAIEB-UHFFFAOYSA-N 307.354 -0.704 50 20 DBGD O=C(Cc1c[nH]c2ncccc12)NNC(=O)[C@H]1CCC(=O)N1 1118943265 MFBBONXSDGRTMP-SNVBAGLBSA-N 301.306 -0.469 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 1253618435 AJQPAHKAPMVSIE-BBBLOLIVSA-N 311.338 -0.163 50 20 DBGD O=C(CO[C@H]1CCOC1)NNC(=O)Cn1cnc2ccccc21 1319362855 WOHKWLNPNWPGTH-NSHDSACASA-N 318.333 -0.011 50 20 DBGD C=C[C@H](COC)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1320318673 ZVMHTJXEEJWPQN-SECBINFHSA-N 307.310 -0.449 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1335302041 SVUHRUDKPFZREX-GFCCVEGCSA-N 321.381 -0.230 50 20 DBGD CCN(CCO)NC(=O)CNS(=O)(=O)c1ccccc1 1336011706 XYIVOPMZQOKEPG-UHFFFAOYSA-N 301.368 -0.690 50 20 DBGD CN1CCC(CNC(=S)NNC(=O)C(=O)NC2CC2)CC1 1342483273 NMHQCCULQROLTO-UHFFFAOYSA-N 313.427 -0.898 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1346507936 BFCXYLALRJNNTQ-ZJUUUORDSA-N 317.484 -0.767 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(NS(C)(=O)=O)nc1 1348358912 VTJBBUUJPJHFFF-UHFFFAOYSA-N 317.396 -0.466 50 20 DBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1357143803 BTIZAVYFKVJHFA-AEJSXWLSSA-N 300.359 -0.344 50 20 DBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1 1594888338 CILUEACOJCYENI-SSDOTTSWSA-N 312.669 -0.275 50 20 DBGD Cc1ccc(NNC(=O)C(=O)Nc2c(C(=O)O)cnn2C)nc1 1600462790 IUXRXOYVUWGNOG-UHFFFAOYSA-N 318.293 -0.096 50 20 DBGD N#CC1(C(=O)O)CCN(C(=O)c2cccc(B(O)O)c2)CC1 1601055388 JNSYLYNWJJEFNP-UHFFFAOYSA-N 302.095 -0.803 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNC(=O)c2cccnc2)C1=O 1606252965 FCMNYNTVZBJFOS-SNVBAGLBSA-N 320.305 -0.834 50 20 DBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786795770 PKNAUDWFELKSHN-BJDJZHNGSA-N 317.817 -0.058 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCC(=O)NC(C)C)n1 45576267 IKZJUAAMVJBQDI-UHFFFAOYSA-N 324.385 -0.255 50 20 DBGD CN(CC(=O)NNc1ccccc1[N+](=O)[O-])S(C)(=O)=O 46305598 PYKCGWVXIPUZFD-UHFFFAOYSA-N 302.312 -0.071 50 20 DBGD CCCCNC(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2 68385296 GUAHKLTXCLANGI-UHFFFAOYSA-N 324.385 -0.098 50 20 DBGD COC(=O)C1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 274367967 OBHUUDIDYNFSEA-UHFFFAOYSA-N 316.317 -0.023 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2cccc(C)n2)CC1=O 279861629 VEVTXWGKVISSID-LLVKDONJSA-N 320.349 -0.354 50 20 DBGD NS(=O)(=O)N1CCC(C(=O)NNc2ncccc2F)CC1 285922167 IYAJLDNIERZQDJ-UHFFFAOYSA-N 317.346 -0.421 50 20 DBGD O=C(CC1CC1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 294079156 HRMJPLGTAMJTKT-UHFFFAOYSA-N 308.338 -0.202 50 20 DBGD COCCS(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 494625324 QZGFXCOVZMNKGO-UHFFFAOYSA-N 311.360 -0.892 50 20 DBGD CCOC(=O)NNC(=O)[C@@H](C)[C@@H](C)C(=O)NNC(=O)OCC 497234228 VTVSRKSFRMBHOI-OCAPTIKFSA-N 318.330 -0.187 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)COCc1ccccc1 497306790 WGKJUGFIQGRPOK-BXKDBHETSA-N 307.306 -0.153 50 20 DBGD C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584931705 FIEKWWDAAMTLHH-PSASIEDQSA-N 308.118 -0.769 50 20 DBGD C[C@@H](CCN1CCOCC1)NC(=O)c1ccc(B(O)O)c(F)c1 584945349 QGHMSFJWPCMDDO-NSHDSACASA-N 324.161 -0.654 50 20 DBGD CCN1CCN(C[C@H](C)CNCc2cccc(B(O)O)c2)CC1 585021688 BYPAKMXMGIFGOD-OAHLLOKOSA-N 319.258 -0.270 50 20 DBGD O=C(NCB(O)O)c1cc(Br)c2c(c1)OCO2 585061696 DSAONQQAHHNUMG-UHFFFAOYSA-N 301.889 -0.080 50 20 DBGD Cc1nccn1CCCC(=O)NNC(=O)C(=O)N1CCCC1 725895477 HESQYHGSOUCHMV-UHFFFAOYSA-N 307.354 -0.258 50 20 DBGD Cn1c(NNC(=O)CCS(C)(=O)=O)nc2ccccc2c1=O 733365206 HWOBWIHWLSBSCW-UHFFFAOYSA-N 324.362 -0.189 50 20 DBGD O=C(NNc1cnccn1)C1=CC=CN2CCS(=O)(=O)N=C12 734242634 PXQNXLMHDPZJKC-UHFFFAOYSA-N 320.334 -0.583 50 20 DBGD Cn1cc(C[C@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)cn1 746678048 VRAHFAVYYBNCGD-LLVKDONJSA-N 305.382 -0.158 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1 753427943 CYXUPECNSCGABU-JTQLQIEISA-N 320.353 -0.623 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(F)n1 763438608 OYRBKPAOYZUKFI-SSDOTTSWSA-N 301.299 -0.584 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 764429690 VURCCPFYGGJNLD-UHFFFAOYSA-N 317.305 -0.990 50 20 DBGD Cn1cnc(CNC(=O)NNC(=O)COCc2ccccc2)n1 768729979 MHTFBAAZQYISLC-UHFFFAOYSA-N 318.337 -0.138 50 20 DBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 771937952 HMCNYYDQBXXHFW-ZJUUUORDSA-N 319.427 -0.265 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@H](O)c2cnn(C)c2)c1 773716583 PPMQGCXOMZOCMO-CYBMUJFWSA-N 317.349 -0.019 50 20 DBGD CCc1nc(C(=O)NNC(=O)CNC(=O)c2cccnc2)co1 776176877 OKDHKCPYTDPBSW-UHFFFAOYSA-N 317.305 -0.177 50 20 DBGD COC(=O)[C@@H]1C[C@H](O)CN1[C@H](C)C(=O)NNC(=O)CC(C)C 788604724 VAKNUIZFOPQVDF-VWYCJHECSA-N 315.370 -0.823 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1 811640185 OWKHFYDKZUPLOZ-UHFFFAOYSA-N 324.362 -0.594 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2cccnc21)C(=O)N1CCCC1 819855221 SSZKDWFYHRXPMV-LLVKDONJSA-N 302.334 -0.119 50 20 DBGD Cc1cc(C)nc(NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 822198737 IKBFYYZBQOVYJX-UHFFFAOYSA-N 315.301 -0.992 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NN(C)[C@@H](C)CO)c1 823946638 LZRNHHNRKODIGS-ZETCQYMHSA-N 307.397 -0.386 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)Cc1cc[nH]n1)C(C)=O 826668531 ZBGBKJFVFJITOQ-JTQLQIEISA-N 310.310 -0.742 50 20 DBGD CCOC(=O)[C@H]1CSCCN1CC(=O)NNC(=O)C(C)C 827483829 MJCIWSTUCKGNLO-SNVBAGLBSA-N 317.411 -0.230 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)C(C)(C)C(N)=O)cc1 830302677 RNMFIOAUNWMKRM-UHFFFAOYSA-N 306.366 -0.048 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCO1 833779681 WSNWZPYWKXORRX-ZJUUUORDSA-N 321.399 -0.723 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 844147995 YXSWCMTTXKHXJD-JOYOIKCWSA-N 321.333 -0.306 50 20 DBGD C=CC(=O)N(C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 858121634 JNGAKQMWZTZENN-GFCCVEGCSA-N 319.317 -0.382 50 20 DBGD Cc1ccc([C@H](O)CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858694086 GELIJDLORVAJCR-VXGBXAGGSA-N 320.349 -0.363 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 858987472 RDSSLLBKWFXZIZ-RKDXNWHRSA-N 302.331 -0.706 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cn1 861716298 QVVXFRNXTRRHSM-ZCIHOMHXSA-N 315.377 -0.005 50 20 DBGD O=Cc1cccc(OCCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862455273 NUVLMZCCLAIFMP-LBPRGKRZSA-N 319.317 -0.306 50 20 DBGD Cc1cc(=NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)cc[nH]1 862510584 LNPBMBVMECIVTD-NSHDSACASA-N 300.384 -0.171 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 862961584 YBEMNEXYBGLQIU-ACCUITESSA-N 322.365 -0.373 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CCOCC1)N1CCSCC1 883066679 GXSGZUPVOACNDY-SNVBAGLBSA-N 301.412 -0.002 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)c2n[nH]c(O)n2)cc1 918319228 LBWAKKBIZOPRKI-UHFFFAOYSA-N 306.282 -0.608 50 20 DBGD O=C(Cc1ccoc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1116640525 BPWJKIGCUJVVJY-SECBINFHSA-N 301.324 -0.660 50 20 DBGD COc1cccc(NNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1118810280 HQFFOOPGKMGCGN-ZETCQYMHSA-N 308.298 -0.974 50 20 DBGD O=C1CCc2cc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)ccc2N1 1118916380 MZKDXTDKROMHEQ-SNVBAGLBSA-N 324.167 -0.191 50 20 DBGD CC(C)n1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1261789390 CJQDEJCGGXWJHB-JTQLQIEISA-N 308.342 -0.427 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)n1 1320598624 NNDWVHKDMZGNHM-SECBINFHSA-N 323.353 -0.024 50 20 DBGD O=C(NCC(F)F)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1320812804 QUECOFCZYMJJGG-UHFFFAOYSA-N 315.280 -0.569 50 20 DBGD CC(C)NC(=S)NNC(=O)CCCN1C(=O)CCC1=O 1321841153 PAFBCZQPTJMWJC-UHFFFAOYSA-N 300.384 -0.181 50 20 DBGD Cc1oc(C#N)cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1322526783 OYXAJKWNEXUUJP-QMMMGPOBSA-N 311.319 -0.345 50 20 DBGD CCCn1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1325121710 RUZWAFXAKPWIGT-VIFPVBQESA-N 314.367 -0.511 50 20 DBGD CN(C)c1ncc(C=NNC(=O)Cc2cc(O)nc(O)n2)n1C 1327587669 NFROXCAQPDLAKA-UHFFFAOYSA-N 319.325 -0.620 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2conc2C(F)(F)F)N1 1329530117 JTFALMPNICSDSB-RXMQYKEDSA-N 306.200 -0.267 50 20 DBGD Cc1nccn1CCCNC(=O)NNC(=O)C(=O)NC1CC1 1337617939 CDILLPMBGFSCQH-UHFFFAOYSA-N 308.342 -0.809 50 20 DBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1574506558 DLOFLVAUSYMNTI-HTQZYQBOSA-N 313.335 -0.112 50 20 DBGD CC(C)[C@@H](N)C(=O)NCCC(=O)NNC(=O)c1cccn1C 1575441616 GXHDWBKLWKVZIJ-GFCCVEGCSA-N 309.370 -0.724 50 20 DBGD Cn1c(C(=O)NNC(=O)[C@]2(C)CCCO2)ccc1-c1nn[nH]n1 1592550086 UWIFBNHCSMRSOU-ZDUSSCGKSA-N 319.325 -0.465 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)O 1608342976 NBKGCTXKWYLZAO-UHFFFAOYSA-N 315.669 -0.884 50 20 DBGD CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722550 CPBBNLGHGKRTBQ-AAEUAGOBSA-N 320.773 -0.938 50 20 DBGD CS(=O)(=O)NCCCNS(=O)(=O)CBr 227978319 AXWMNSWKZOSBJZ-UHFFFAOYSA-N 309.207 -0.803 50 20 DBGD CC[C@@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 263679923 KALSIMQVOYLWLD-SNVBAGLBSA-N 324.337 -0.139 50 20 DBGD CCn1nc(C(=O)NNC(=O)C(C)(C)O)c2ccccc2c1=O 276970373 AFWGTZHIBWSXCP-UHFFFAOYSA-N 318.333 -0.052 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1nc(C)cc(C)n1 298472257 BSNYCOOEOORJCX-UHFFFAOYSA-N 302.356 -0.402 50 20 DBGD O=C(O)C[C@H]1COCCN1S(=O)(=O)CBr 368409262 DAIYQYIEYRXWLR-LURJTMIESA-N 302.146 -0.156 50 20 DBGD CC(C)c1nncn1CCNC(=O)c1ccc(B(O)O)cc1 584949246 QIVBVWAJPUYNLX-UHFFFAOYSA-N 302.143 -0.489 50 20 DBGD COC1(CNC(=O)c2cc(B(O)O)ccc2F)CCOCC1 584964651 JEGNCZGFJCZYCM-UHFFFAOYSA-N 311.118 -0.569 50 20 DBGD CN1CC[C@@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)C[C@@H]21 584970434 CAPBWZRVPNUPQY-YGRLFVJLSA-N 306.146 -0.328 50 20 DBGD O=C(NCCCCn1ccnn1)c1ccc(B(O)O)c(F)c1 584972582 ARZPYDZVTMQXHH-UHFFFAOYSA-N 306.106 -0.693 50 20 DBGD C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(B(O)O)c(F)c1)CCO2 584984991 DXEYSBRMYDSWAF-MEBBXXQBSA-N 323.129 -0.475 50 20 DBGD CCOCc1nc([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)no1 584991476 ZJWAMCQLHNCUAR-SECBINFHSA-N 319.126 -0.223 50 20 DBGD CC(C)(CNC(=O)c1ccc(B(O)O)cc1)C1(O)CCOCC1 584998777 AMPAHBVZLVVUNP-UHFFFAOYSA-N 321.182 -0.336 50 20 DBGD OB(O)c1ccccc1CNC1CCN([C@@H]2CCOC2)CC1 585050464 ZOPBHIJANOHXBB-OAHLLOKOSA-N 304.199 -0.291 50 20 DBGD O=C(NCCNC(=O)c1cccnc1)NNc1cccnn1 737034683 JIISBLIVRHMYAC-UHFFFAOYSA-N 301.310 -0.072 50 20 DBGD CN(C)N(C(=O)CSCC(=O)O)[C@H]1CCS(=O)(=O)C1 739614289 FDKVXHILBVVWSW-QMMMGPOBSA-N 310.397 -0.704 50 20 DBGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)O1 743289716 BDDMYWSEHGFOMJ-MXWKQRLJSA-N 318.395 -0.084 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O)o1 754131637 RGOYVPOZRRHHPV-QMMMGPOBSA-N 303.340 -0.035 50 20 DBGD CSCCNC(=S)NNC(=O)CCCn1cncn1 770245423 NRZMQTJTVQWOFX-UHFFFAOYSA-N 302.429 -0.083 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)[C@H](C)OCCOC)[C@H]1CCCO1 776225182 CJLCPWRUEWTZFL-SDDRHHMPSA-N 313.354 -0.451 50 20 DBGD CC[C@H](CO)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 779723829 AXEOBXDNVHWXKB-SECBINFHSA-N 304.310 -0.558 50 20 DBGD CC(C)N1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1=O 780009390 XXRCBRGQDOGNQD-UHFFFAOYSA-N 319.365 -0.083 50 20 DBGD COC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 792606028 DNBOUWISXBDYRL-UHFFFAOYSA-N 315.351 -0.221 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 800687988 LAVNFZFDUBJKNH-IUCAKERBSA-N 310.358 -0.627 50 20 DBGD CNC(=O)CCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801109114 VNCSUHWTLXSFMI-UHFFFAOYSA-N 320.349 -0.003 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCN(C)C1=O 807370272 XSVSUUTXPUQXLU-SECBINFHSA-N 301.343 -0.599 50 20 DBGD O=C(CSc1cc(-c2nn[nH]n2)ccn1)NNC(=O)C1CC1 823061011 RSZXYEKVZSCJSK-UHFFFAOYSA-N 319.350 -0.089 50 20 DBGD O=C(O)Nc1cccc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 833291618 NLLBHGOFZQRQIB-JTQLQIEISA-N 309.278 -0.047 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843980343 UARRPGUASVHHSG-VHSXEESVSA-N 321.399 -0.722 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCc3cncn3C2)CC1 844136063 CIKVFXZVPCTMFD-NSHDSACASA-N 306.370 -0.566 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2ccc(F)cn2)C1 846722949 XKDFNTWPHCRZFL-SECBINFHSA-N 317.346 -0.119 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)N1 862454018 BLMWBDNHGGYGBQ-KOLCDFICSA-N 307.281 -0.445 50 20 DBGD CC(C)CN1N=C(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1=O 862462686 ZORCXEUIADQHMJ-SECBINFHSA-N 323.353 -0.953 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 863873448 CTEHWSJDQLHGDH-LSDHHAIUSA-N 318.182 -0.962 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@]1(C)Oc2ccccc2NC1=O 878681089 FLHYVJXOUYQXTC-CQSZACIVSA-N 306.322 -0.515 50 20 DBGD COC(=O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)C1 886374336 YNAVUEYBMYCJCA-NXEZZACHSA-N 323.129 -0.081 50 20 DBGD CN(C)C(=O)NNC(=O)c1cccn1CCN1CCOCC1 906450133 HFDNWOUDFSONCE-UHFFFAOYSA-N 309.370 -0.264 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 919685687 RAXRILNLDZPGHO-UHFFFAOYSA-N 301.280 -0.600 50 20 DBGD CCOC(=O)NNC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 1116774903 ZEWKOIADGQTQKS-JTQLQIEISA-N 323.353 -0.028 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)c1ccccc1O 1318533464 FOZFQYCGNKQGCV-UHFFFAOYSA-N 317.392 -0.454 50 20 DBGD CCNC(=O)c1cccc(CNC(=O)NNC(=O)C(=O)OC)c1 1318943286 VEFFTYOUYQTRCT-UHFFFAOYSA-N 322.321 -0.560 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)c1nccs1 1320436474 LKVRMDPRFIRRDT-SSDOTTSWSA-N 311.367 -0.144 50 20 DBGD CN(NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C(N)=O 1320706287 AIGVIZRMXCRHSF-UHFFFAOYSA-N 300.340 -0.692 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)c1ccc[nH]1 1325516855 VMRRBTARGWHVIR-UHFFFAOYSA-N 303.278 -0.182 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cn1 1326048755 UUFIJQYYIANIHF-SCZZXKLOSA-N 317.305 -0.536 50 20 DBGD COCCONC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1328967416 IUSKRGXZHPRPHT-XCBNKYQSSA-N 309.160 -0.030 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)s1 1331895673 NOWPOMFPSRZGCG-ZETCQYMHSA-N 303.170 -0.160 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO[C@@H]2CCOC2)cc1 1344654498 IICYXZIKWNIVQI-GFCCVEGCSA-N 321.333 -0.114 50 20 DBGD Cn1nccc1COCC(=O)NNC(=O)Cc1ccncc1 1344916889 JBOQELYLGQYKLA-UHFFFAOYSA-N 303.322 -0.278 50 20 DBGD O=C1COc2cc(C(=O)NNC(=O)[C@@H]3CCN3)c(Cl)cc2N1 1580850126 QGIBFRBBYOTQSI-QMMMGPOBSA-N 324.724 -0.206 50 20 DBGD CC(C)CC(=O)NNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O 1591111303 JQCDXJGVJGITOR-YUMQZZPRSA-N 302.331 -0.659 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 1594646132 VZNPARVHOXCWTF-SFYZADRCSA-N 311.298 -0.455 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNC(=O)c2ccccc2)C1=O 1595083475 QNXXUNWZFHPKDS-LLVKDONJSA-N 319.317 -0.229 50 20 DBGD Cn1cnn(CCC(=O)NNc2ccc(CC(=O)O)cc2)c1=O 1600994873 ZSSDCSXDBLQHJU-UHFFFAOYSA-N 319.321 -0.258 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2C[C@H]2C(=O)O)n1 1607629985 OKDQZIURSGTGIA-NXEZZACHSA-N 309.326 -0.449 50 20 DBGD CNCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557705 AMRYBIBWHJJXQR-SRVKXCTJSA-N 317.817 -0.213 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1=COCCO1 273116660 BTMYSFYESNINDB-QMMMGPOBSA-N 315.326 -0.065 50 20 DBGD COc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)nn1C 274622761 SIWNOLWLACNRGG-UHFFFAOYSA-N 306.326 -0.297 50 20 DBGD COCCN(C)NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 293753018 YFTOXABOPBKYNR-OAHLLOKOSA-N 320.349 -0.036 50 20 DBGD NS(=O)(=O)CCCCNS(=O)(=O)CBr 310464027 FZKISWNUYHVSAE-UHFFFAOYSA-N 309.207 -0.673 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cn1 491162014 QELREPKIZYAWKK-DKRCXCIFSA-N 323.378 -0.523 50 20 DBGD CCn1nccc1CN(C)C(=O)c1cc(B(O)O)ccc1F 584981891 JDYWJULOWDHVHW-UHFFFAOYSA-N 305.118 -0.006 50 20 DBGD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCB(O)O)cc1 585057600 HNPCUYGOROBHQQ-VIFPVBQESA-N 314.172 -0.495 50 20 DBGD Cc1nc2cc(O)nn2c(C)c1CC(=O)NNC(=O)N(C)C 731435356 BBFBSRCSLSXUQT-UHFFFAOYSA-N 306.326 -0.103 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)C1(C(=O)NC2CC2)CC1 743471188 UKENTZMOJKYRJS-UHFFFAOYSA-N 301.310 -0.145 50 20 DBGD CNC(=O)Cn1ccc2ccc(NC(=O)NNC(=O)CO)cc21 756761140 LNNCTTMQQVVAKK-UHFFFAOYSA-N 319.321 -0.468 50 20 DBGD O=C(CN1CCOC2(CCOCC2)CC1)NNC(=O)C1CC1 769227420 BYCMKRWPFCHYPX-UHFFFAOYSA-N 311.382 -0.185 50 20 DBGD CC(C)c1nccnc1NNC(=O)Cn1ccc(=O)n(C)c1=O 772853937 MYMSMEKBCGNGPX-UHFFFAOYSA-N 318.337 -0.396 50 20 DBGD O=C(CNC(=O)NNC(=O)Cc1ccncc1)NCC1CC1 778766167 WGLNZTYQKPASFY-UHFFFAOYSA-N 305.338 -0.519 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 779646133 XHTIOLLTFZZMME-UHFFFAOYSA-N 310.266 -0.414 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(F)cc1 779845841 UAQZXAKXVNZUQI-UHFFFAOYSA-N 305.287 -0.509 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccn(CCOC)n1 784312337 KQCXJZMHXIERRI-SECBINFHSA-N 312.326 -0.368 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CC[C@H](C(=O)O)O2)cs1 785404405 VCECWVPAJMNRNS-RKDXNWHRSA-N 313.335 -0.226 50 20 DBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)N=c1cc[nH]cc1 802036156 QWADSOKHBJOEAQ-MRVPVSSYSA-N 321.366 -0.035 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ncccc1F 804213340 JHBSVQOUAHSXGQ-UHFFFAOYSA-N 303.257 -0.251 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNc1cccc(-c2nn[nH]n2)c1 826367074 KWSBQTAHNKXSGY-UHFFFAOYSA-N 300.286 -0.434 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)C[C@@H]1CCCOC1 842588395 AYLGAPHADDIZAY-AXFHLTTASA-N 306.384 -0.211 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842592875 PVUFLXORYNCZAI-ZJUUUORDSA-N 310.372 -0.975 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)Cn1cnc2ccccc21 854195854 QRFWIGYITDIYHH-GFCCVEGCSA-N 306.322 -0.155 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@@H]1CCC(=O)N1 854281438 UWSNQQJKOYDWQW-VIFPVBQESA-N 302.400 -0.471 50 20 DBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)N1CCN(C)CC1 854379264 UYJDVWXCSYOOKM-GFCCVEGCSA-N 311.386 -0.624 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccnn2C(F)F)CC1 854381202 GOWWENJDUKAQIZ-UHFFFAOYSA-N 302.285 -0.120 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn3c2OCCC3)CC1 854382288 AFRPLAMVXZMYAM-UHFFFAOYSA-N 308.342 -0.733 50 20 DBGD CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cc[nH]n1 855359201 JMVPZSZGMHLTNJ-MRVPVSSYSA-N 313.383 -0.181 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855828620 GUNPNIZWZPHFHF-VIFPVBQESA-N 314.386 -0.399 50 20 DBGD CC1=C(C(=O)NN[C@@H](C)C(F)(F)F)Cn2nnnc2N1C 862317982 NXEUVKKIWUEOCV-LURJTMIESA-N 305.264 -0.032 50 20 DBGD O=C1NC[C@@H](Cn2cc(C(=O)NCC(Cl)Cl)nn2)O1 879976001 LGJMQMYWGUNPKG-YFKPBYRVSA-N 308.125 -0.080 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2cnc3ccccc3n2)C1=O 907392456 UHVYMBLPWDVTHN-LBPRGKRZSA-N 301.306 -0.070 50 20 DBGD Cc1nccn1CCCC(=O)NNC(=O)CN1CCCC1=O 913729894 CNIBLCGMBZQJMC-UHFFFAOYSA-N 307.354 -0.258 50 20 DBGD CCc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n[nH]1 915262203 SWFMGIAWLHPHPC-SSDOTTSWSA-N 300.340 -0.832 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H](C)CS(C)(=O)=O)n1 1256325564 YIJOHLBLJKGGOB-VIFPVBQESA-N 314.367 -0.233 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2coc(C3CCOCC3)n2)N1 1261829911 FCISNTBZURRAKU-VIFPVBQESA-N 322.321 -0.392 50 20 DBGD C[C@H](CNC(=O)NNC(=O)Cc1cccnc1)S(C)(=O)=O 1319573442 VQWCDSNMMKCUKS-SECBINFHSA-N 314.367 -0.612 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)o1 1320113999 SITQNQXZRLOZBD-UHFFFAOYSA-N 312.307 -0.590 50 20 DBGD C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)C(=O)N(C)C 1323971859 QWWHLKZNGNVUAF-LURJTMIESA-N 322.329 -0.828 50 20 DBGD O=C(NNC(=S)NCC1CC1)N[C@H]1CCS(=O)(=O)C1 1327890748 ZYLMJSIRJSRZHT-QMMMGPOBSA-N 306.413 -0.738 50 20 DBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1=CCN(C)CC1 1331297720 QARWWRQTBPSERJ-MWLCHTKSSA-N 309.370 -0.754 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1CNOC1 1575098268 AERKUTGIZCVPGS-VIFPVBQESA-N 315.374 -0.837 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cnccc2-c2nn[nH]n2)O1 1591735296 NQKWCSUFJSINPI-GMSGAONNSA-N 317.309 -0.410 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1coc(-c2nn[nH]n2)c1 1593156503 YJTUGLLFFAXSMM-UHFFFAOYSA-N 307.270 -0.854 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H](OC)C(=O)O)c1 1604870863 GOLZYLARBMXMAT-LLVKDONJSA-N 311.294 -0.646 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccccn1 1605453414 XWQLILZWQJWMCP-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD COc1ccc2c(c1)OC[C@@H](NC(=O)NNC(=O)C(=O)O)C2 1607299060 NYLIXGMAZPSDGB-QMMMGPOBSA-N 309.278 -0.586 50 20 DBGD O=C(O)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1776027725 AXJIWOFIXGMQHN-SECBINFHSA-N 311.319 -0.335 50 20 DBGD CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1795066166 OLMFKBHMVLNJJB-AYMMMOKOSA-N 323.176 -0.031 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 66702034 NUABYQZROPISCS-MRVPVSSYSA-N 312.292 -0.010 50 20 DBGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)Cc1cc[nH]n1 106416994 WQHPRWWABVTXMN-MRVPVSSYSA-N 321.362 -0.020 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)Cc2cn3ccccc3n2)C1 191181180 YEWTXNLJXGEERI-UHFFFAOYSA-N 315.333 -0.498 50 20 DBGD O=Cc1cccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c1 264929277 XOXGEQOZBBAFEW-UHFFFAOYSA-N 319.317 -0.352 50 20 DBGD CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268982066 RPTNKZBPQVNTLY-QMMMGPOBSA-N 310.335 -0.608 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)S(C)(=O)=O)n1 279752853 CVFDXHFURCTLCS-UHFFFAOYSA-N 300.340 -0.958 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)C(C)(C)C(N)=O 298122935 KJZOYQULQGFRJN-UHFFFAOYSA-N 320.393 -0.119 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCN(S(=O)(=O)NC)CC1 491159303 IHNARKGXJZSHOR-KTKRTIGZSA-N 302.356 -0.961 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)cc1F 495624709 HGQNGYBNUJJFMU-UHFFFAOYSA-N 305.287 -0.184 50 20 DBGD CC1(C)CN(CCNC(=O)c2cc(B(O)O)ccc2F)CCO1 584935948 AIVATBPKUIODKO-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584976611 RUZPKCSVSDXIPN-OAHLLOKOSA-N 314.150 -0.081 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)CCCN1c1cccnc1 585035267 QPDDBDCNEHODCQ-ZDUSSCGKSA-N 315.138 -0.360 50 20 DBGD Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1-n1cnnn1 585070501 YGKFDKPQVNHHPY-NSHDSACASA-N 301.115 -0.340 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cc(-c2ccccc2)on1 727072972 HACZGURQSGUDET-UHFFFAOYSA-N 319.346 -0.064 50 20 DBGD O=C(NNC(=O)[C@@H]1CCOc2ccccc21)C(=O)NC1CC1 728187818 UWIQTVKPTSKFOJ-LLVKDONJSA-N 303.318 -0.021 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 729275945 SYMTVQLYQRMHSG-MRVPVSSYSA-N 300.340 -0.911 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C(N)=O)o2)n1 746791999 YSGQDRQHSHGLPS-UHFFFAOYSA-N 305.294 -0.347 50 20 DBGD CCc1cccc2c1N(C(=O)C(=O)NNC(=O)CN(C)C)CC2 764203879 LFKIOWFVATWMER-UHFFFAOYSA-N 318.377 -0.153 50 20 DBGD CC(C)n1ncc2ccc(NC(=O)C(=O)NNC(=O)CO)cc21 764421561 MRYHNYMPGPUXSX-UHFFFAOYSA-N 319.321 -0.305 50 20 DBGD CN(C)CC(=O)NN=C(CNS(C)(=O)=O)c1ccccc1 766697887 JWSRIWLWDPUNBK-UHFFFAOYSA-N 312.395 -0.382 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C)(C)C(N)=O 768188244 UMSMOEGBHUESQP-UHFFFAOYSA-N 302.331 -0.830 50 20 DBGD CCCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cn1 769741869 MJMOMMHITSMYBN-UHFFFAOYSA-N 315.355 -0.527 50 20 DBGD COC[C@@H](C)CNC(=O)NNc1nc(O)c2cnn(C)c2n1 770400176 MIDFVWXXWPDARO-ZETCQYMHSA-N 309.330 -0.023 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCn3ncnc3C2)cc1 770686836 WRPBJQAJVOENFD-UHFFFAOYSA-N 314.349 -0.137 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCOC[C@@H]1OCCOC 777279881 VQZOCDURJFFXKI-MNOVXSKESA-N 319.358 -0.826 50 20 DBGD COC(=O)c1ccccc1NNC(=O)[C@@H](C)NS(C)(=O)=O 780733247 RHLWGABEIACAOQ-MRVPVSSYSA-N 315.351 -0.146 50 20 DBGD C#CCOCCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 784545121 NZFMZRLZPFANJU-CYBMUJFWSA-N 319.317 -0.193 50 20 DBGD COCCCNC(=O)NNC(=O)c1cncc(-n2ccnn2)c1 801841697 AAWOZCSHIQBRIB-UHFFFAOYSA-N 319.325 -0.357 50 20 DBGD C=C[C@@H](O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 826120732 IAUSKZHADSFSAO-LLVKDONJSA-N 305.338 -0.613 50 20 DBGD O=C(NCC1CC2(C1)OCCO2)c1cc(B(O)O)ccc1F 832169445 RXCYWDOOOPJGMM-UHFFFAOYSA-N 309.102 -0.612 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843979607 PHOOWTWXDHGCBV-GXSJLCMTSA-N 309.322 -0.565 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=S)NCC1CC1 849252699 HHPPDWBLQBNPMD-JTQLQIEISA-N 300.428 -0.140 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1cccnc1Cl 854930262 SNEPTTSUSYOOTK-UHFFFAOYSA-N 307.763 -0.426 50 20 DBGD CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 863873241 BWTQDCSNBUNBRD-VIFPVBQESA-N 311.118 -0.177 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@]12CCOC2=O 863879592 WHNCEEQPPAQOAN-AWEZNQCLSA-N 307.086 -0.573 50 20 DBGD O=C(NCCC(=O)N1CC[C@H](B(O)O)C1)OCC(F)(F)F 864234789 WADJJNGPICVQNX-ZETCQYMHSA-N 312.053 -0.260 50 20 DBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)C2CC2)c1 915060159 JEZDBSUZORIRDN-UHFFFAOYSA-N 300.340 -0.564 50 20 DBGD O=C(NNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ncccn1 1118561620 OECQIUMLSUDCOX-VIFPVBQESA-N 320.309 -0.643 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(-n2cccn2)n1 1251971708 AQUDIZONHSZUJL-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD O=C(CC1CCCC1)NNC(=O)Cn1ncn2nccc2c1=O 1318485349 MVFVMSQAVHROSI-UHFFFAOYSA-N 318.337 -0.381 50 20 DBGD Cn1cncc1C=NNC(=O)CSc1nnc(O)nc1O 1319588780 RMCMPQCLVUJYRN-UHFFFAOYSA-N 309.311 -0.741 50 20 DBGD CCOCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)OC)c1 1320599674 IOVWRNVGGONRGV-UHFFFAOYSA-N 323.305 -0.518 50 20 DBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320880948 AMQRPCGIPVZIJD-HMDXOVGESA-N 312.351 -0.455 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F 1326542936 HNPBLDMZYGIXEG-UHFFFAOYSA-N 309.204 -0.235 50 20 DBGD CCc1nn(C)c(Cl)c1C(=O)NNC(=O)CS(C)(=O)=O 1335369389 ZFKNHJGWAAHCBO-UHFFFAOYSA-N 322.774 -0.559 50 20 DBGD C[C@@H]1C(=O)CC[C@@H]1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1344365658 DUKGKZDVEHUSIW-AEJSXWLSSA-N 316.379 -0.426 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1CCCS(=O)(=O)C1 1349433817 SCVWBEUAQMPLQA-HBNTYKKESA-N 318.395 -0.226 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1594018643 FQZNGPHSCFXZAB-CIUDSAMLSA-N 303.315 -0.769 50 20 DBGD COC[C@@](C)(NCC(=O)NNC(=O)c1ccc(C)cc1)C(=O)O 1599153777 CELVEYNXRLRXPJ-OAHLLOKOSA-N 323.349 -0.165 50 20 DBGD O=C(O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(B(O)O)c1)C2 1601787217 UIUQFJGYNWCUJX-JIMOISOXSA-N 303.123 -0.308 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)[C@H]1CCCCO1 1605814509 DJFHAFSZMAICHW-SECBINFHSA-N 300.311 -0.416 50 20 DBGD Cc1c(C(=O)NNC(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)nnn1C 1607508644 ILONTFOWFDQYKQ-OCAPTIKFSA-N 310.314 -0.727 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@](O)(C(=O)O)C2)cc1 1607733596 QVVWGJPWRZNFGF-OAHLLOKOSA-N 321.333 -0.723 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H](C)NC(=O)c1ccoc1 65204852 PYQYRHHQQMPRDB-SECBINFHSA-N 312.326 -0.235 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)C1=O 172404980 FGOFQXHMJBFFDN-LLVKDONJSA-N 308.313 -0.071 50 20 DBGD O=C(NNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1)C1CC1 263908662 LPXSYUMUUKXPJK-CYBMUJFWSA-N 317.345 -0.029 50 20 DBGD CC(C)n1cc(S(=O)(=O)NNC(=O)N2CCOCC2)cn1 265893214 AFMSBCVVCFTGAG-UHFFFAOYSA-N 317.371 -0.301 50 20 DBGD CC(C)OCCC(=O)NNC(=O)CNC(=O)c1cccnc1 268842927 NQICKQYHKVTAMY-UHFFFAOYSA-N 308.338 -0.226 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccnc(NC(=O)C2CC2)c1 287831187 URRGFGMUHQJVHV-UHFFFAOYSA-N 305.338 -0.247 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 496663836 PYJIUUKILXKRNV-POYBYMJQSA-N 316.314 -0.845 50 20 DBGD CC1=CCN(CCNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584976675 UARZQHBVTNJIMM-UHFFFAOYSA-N 306.146 -0.113 50 20 DBGD O=C(NCCN1C[C@@H]2CC[C@H](C1)O2)c1cc(B(O)O)ccc1F 584997404 FVXOEDTUMWBFER-TXEJJXNPSA-N 322.145 -0.902 50 20 DBGD CN1C[C@@H]2CCCN(C(=O)c3cc(B(O)O)ccc3F)[C@@H]2C1 585000565 LVFFEGZCEUPHEX-IINYFYTJSA-N 306.146 -0.328 50 20 DBGD O=S(=O)(CCCNCc1ccc(B(O)O)o1)c1ccccc1 585021347 TZMFFSVAMQDOCF-UHFFFAOYSA-N 323.179 -0.087 50 20 DBGD CN(C)C1CCN(CCNCc2ccc(B(O)O)cc2F)CC1 585033924 KFXXPIJTQCIDFM-UHFFFAOYSA-N 323.221 -0.379 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)c2c(C)n[nH]c2n1 729458201 NDXMKCDWUROTLX-UHFFFAOYSA-N 300.282 -0.232 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cccc(S(N)(=O)=O)c1 731218697 FELUXSMJUAJCPG-UHFFFAOYSA-N 316.339 -0.477 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)CCN2CCOCC2)n1 753453969 NDYOWVYRRZJXDR-UHFFFAOYSA-N 300.750 -0.122 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNc1ncc(F)cn1 762090031 CLZRQWSXKDDVHN-UHFFFAOYSA-N 305.335 -0.222 50 20 DBGD Cc1cc(C(=O)NN(C)C(N)=O)cc(S(N)(=O)=O)c1C 770436808 VANQGAZAXPHAHY-UHFFFAOYSA-N 300.340 -0.394 50 20 DBGD C[C@@H]1COCCCN1C(=O)NNC(=O)CNC(=O)c1ccco1 772998790 ODSMWDNRRXOBHI-SNVBAGLBSA-N 324.337 -0.139 50 20 DBGD CNC(=O)[C@@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)CCO1 793230511 GKIKCDYQJADOKB-NSHDSACASA-N 321.337 -0.809 50 20 DBGD C=CCNC(=S)NNC(=O)CNS(=O)(=O)CCCC 798306387 FXZAYLSRKBDGRQ-UHFFFAOYSA-N 308.429 -0.613 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(C)n(C)n1 799877217 QZLZDEVWKNXUQI-JTQLQIEISA-N 313.383 -0.061 50 20 DBGD NC(=O)C[C@@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1 808775050 KXGSHSUYZXBVDA-VIFPVBQESA-N 310.379 -0.294 50 20 DBGD COCC(=O)NN[C@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 821680854 WKXFBOSUARZMAQ-NSHDSACASA-N 320.309 -0.652 50 20 DBGD CCn1nccc1CNC(=O)NNC(=O)[C@@H](C)OCCOC 824343265 WGEMELTYUJSIAP-SNVBAGLBSA-N 313.358 -0.215 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCC(=O)N(C)C 825761006 GYQOLPJVXMPSKE-ZJUUUORDSA-N 300.359 -0.390 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@H](C)CCO)n1 844445310 BBAXKOITQIBZLK-SNVBAGLBSA-N 314.411 -0.156 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)cc1F 844582114 DQSZHCNEGBUXEW-ZETCQYMHSA-N 303.315 -0.081 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)c1ccccn1 845071030 GXBFXRDYFAPIHG-VIFPVBQESA-N 301.310 -0.518 50 20 DBGD Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 861945753 AVBQBUSEGXRCKI-SNVBAGLBSA-N 304.306 -0.640 50 20 DBGD Cc1c(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862457108 AZGXWTQUMCQOKN-JTQLQIEISA-N 320.305 -0.128 50 20 DBGD COC(=O)CSCCc1nc(-c2cccc(B(O)O)c2)no1 863892656 DYQLGKZQBBWFBG-UHFFFAOYSA-N 322.151 -0.135 50 20 DBGD Cc1cc(=NNC(=O)NCCC(=O)N2CCOCC2)cc[nH]1 875043526 LNSLLFLBXUTSFP-UHFFFAOYSA-N 307.354 -0.313 50 20 DBGD NC(=O)CN(C1CCOCC1)S(=O)(=O)CBr 882724218 FQJSNFUEUAXENH-UHFFFAOYSA-N 315.189 -0.365 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)Cn1cc(C2CC2)cn1 913733808 WMGQUWNQHYICKE-UHFFFAOYSA-N 305.338 -0.470 50 20 DBGD C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@H](B(O)O)C3)ncn2)C1 1118916859 YDGDSEAOWMCRQZ-SRVKXCTJSA-N 306.175 -0.263 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)nn1C(C)C 1118953739 JPFQPVWMTGPQMZ-UHFFFAOYSA-N 302.356 -0.422 50 20 DBGD Cn1cc([C@@H]2C[C@H]2C(=O)NNC(=O)CN2CCCC2=O)cn1 1119662912 JSXKLMALCSDCHO-WDEREUQCSA-N 305.338 -0.707 50 20 DBGD Cn1ccc(NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 1256183126 AQBOCCBZHFVYQQ-CYBMUJFWSA-N 306.326 -0.416 50 20 DBGD COCc1nc2n(n1)C[C@H](NC(=O)NNc1cccnn1)CC2 1319157532 OMXPJSBHIUOBDW-SECBINFHSA-N 318.341 -0.144 50 20 DBGD O=C(CCc1ccoc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319164286 QHOZZKUAXHKWNJ-JTQLQIEISA-N 300.336 -0.206 50 20 DBGD C[C@@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)C(=O)N(C)C 1319374202 QWWHLKZNGNVUAF-ZCFIWIBFSA-N 322.329 -0.828 50 20 DBGD Cn1ncc2c1C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)CC2 1327011824 BVSMJBDHKZWEDU-MRVPVSSYSA-N 315.337 -0.443 50 20 DBGD O=C(NNC(=O)N1CCN(c2ncccn2)CC1)c1cn[nH]c1 1328731005 CQHUUWQBZCNTHG-UHFFFAOYSA-N 316.325 -0.624 50 20 DBGD N[C@@H](CO)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 1574264303 OHLCZGKPSKHJLM-LBPRGKRZSA-N 319.317 -0.061 50 20 DBGD COC(=O)CC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1598856543 WNDQHTWJMJRVOX-IGLBNKAOSA-N 320.305 -0.150 50 20 DBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1ccc(-c2nn[nH]n2)cc1 1606849165 CZYFRDWWKRIDCL-JTQLQIEISA-N 302.294 -0.601 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(CC(=O)O)cc1 1610009030 MJISEGUDDFVKAH-UHFFFAOYSA-N 322.321 -0.055 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(=O)NC1CC1 43934592 BWOAXIWSZHHVMR-SSDOTTSWSA-N 314.342 -0.674 50 20 DBGD O=C(CN1CCOC[C@@H]1C(=O)O)NNC(=O)c1cccs1 88380636 FCOAGJBWEKWJNK-MRVPVSSYSA-N 313.335 -0.706 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1cc(F)cc(F)c1 170797023 FSGZWXBXXGYBPS-UHFFFAOYSA-N 314.292 -0.596 50 20 DBGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)C2CC2)c1=O 274117294 MLZZKDPVIXMUEL-UHFFFAOYSA-N 322.321 -0.026 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 276161814 AFNNFAONMSLCLO-UHFFFAOYSA-N 300.336 -0.378 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 298191669 GMJQIMHKLGVQJX-CQSZACIVSA-N 304.306 -0.379 50 20 DBGD C[C@H](CN1CCOC[C@H]1C)NC(=O)c1cccc(B(O)O)c1 584941413 JPKUYXWORFRTCW-VXGBXAGGSA-N 306.171 -0.795 50 20 DBGD Cc1nc(C)n(C2CN(C(=O)c3ccc(B(O)O)c(F)c3)C2)n1 584985850 SXARUKXWJLDBDZ-UHFFFAOYSA-N 318.117 -0.589 50 20 DBGD CN1CC[C@]2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 584995691 QEJJQGJRCVNWHM-MRXNPFEDSA-N 302.183 -0.076 50 20 DBGD CCCNC(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 726530304 GEUCEYSLBDBRIG-UHFFFAOYSA-N 314.367 -0.171 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2sccn2c1=O 732084435 GXZCPJCHKVHISR-UHFFFAOYSA-N 318.318 -0.138 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc3c(cc2O)OCO3)cn1 735522416 PSWKSJBUIWNBOZ-UHFFFAOYSA-N 304.262 -0.071 50 20 DBGD CSCCNC(=S)NNC(=O)c1cnc2[nH]nnc2c1 755747386 WSCQCGQZWVYGQU-UHFFFAOYSA-N 311.396 -0.175 50 20 DBGD Cc1nscc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758027835 XMYFWNIHWNFRQW-LURJTMIESA-N 306.369 -0.850 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1Cl 764299915 PEPPOOCBVGTSBH-UHFFFAOYSA-N 310.697 -0.056 50 20 DBGD CN(C)c1ncnc2c1cc(C(=O)NNC(=O)C(C)(C)O)n2C 768260797 XFJFODPLYCCQNU-UHFFFAOYSA-N 320.353 -0.434 50 20 DBGD COCCn1nc(C)c(NC(=O)NNC(=O)CN(C)C)c1C 775710342 VVLXCXWZZRWZEF-UHFFFAOYSA-N 312.374 -0.139 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)NCC(F)(F)F 798315608 LYOQNRONISTVBF-QMMMGPOBSA-N 312.292 -0.153 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)OC)C1 840453608 XSAJKNQRFSMNAB-LPEHRKFASA-N 317.342 -0.680 50 20 DBGD N[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 843345396 HDYZIILEAHYFMZ-LLVKDONJSA-N 321.337 -0.221 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)c1ncccn1 843607204 VWULHCRBXZJUDD-JTQLQIEISA-N 303.322 -0.361 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccccc1 843976085 PSYTUCBSUNTOQK-JQWIXIFHSA-N 305.334 -0.011 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNC(=O)NC1CCCCC1 854192274 JAJRESFWJZMOKN-UHFFFAOYSA-N 321.403 -0.955 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNC(=S)NCC1CCC1 855092202 UYIFELHNCSDLJR-UHFFFAOYSA-N 319.394 -0.038 50 20 DBGD CCC1(Cn2cc(C(=O)NNC(=O)c3cc[nH]n3)nn2)COC1 855355168 QSUVWCQQKSJUOE-UHFFFAOYSA-N 319.325 -0.497 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCS1(=O)=O)c1cccc(F)n1 856423008 JZYQQYRRZGEBCK-SECBINFHSA-N 315.326 -0.051 50 20 DBGD Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 861946092 KLERAUVCYQRUSZ-NSHDSACASA-N 318.333 -0.332 50 20 DBGD Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 861946094 KOWNAIHVAJTJAU-SNVBAGLBSA-N 322.296 -0.501 50 20 DBGD CC[C@@H](C(=O)NNC(=O)COCCOC)N1CCCC1=O 869909756 IPROGDJUQAPITL-JTQLQIEISA-N 301.343 -0.802 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1n[nH]cc1C(=O)OC 912523592 JIVWZVNZILSSAH-LURJTMIESA-N 304.328 -0.448 50 20 DBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)CN1CCCC1=O 913731134 VKSXFZPXFVLJSP-GHMZBOCLSA-N 313.354 -0.660 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1ccccc1C 918687958 CZPMWAFLVXHJSC-UHFFFAOYSA-N 306.322 -0.992 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)N1 1118909025 FYPJKGUHZVIRHT-KJLIAQIISA-N 307.350 -0.192 50 20 DBGD Cc1ncc2n1CC[C@@H](C(=O)NNc1nccn(C)c1=O)C2 1324610067 CJQHYGFECSZJRZ-SNVBAGLBSA-N 302.338 -0.009 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)C(=O)N1CCCC1 1326421281 JUKMTULPHHEPND-UHFFFAOYSA-N 320.353 -0.995 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cn1 1450273090 OIHUAADUASJXGG-JTQLQIEISA-N 317.309 -0.408 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1cc(Cl)nc(N)n1 1528095713 ZKYMSUSIJYVMDQ-HTQZYQBOSA-N 311.777 -0.456 50 20 DBGD CC(C)[C@@H](N)C(=O)NCCC(=O)NNC(=O)c1ccccc1 1575441668 HYQBGHYSXPPTSF-CYBMUJFWSA-N 306.366 -0.063 50 20 DBGD CNC[C@@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1578623019 DQCGNEJUMUOMKO-SNVBAGLBSA-N 300.403 -0.068 50 20 DBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccnc1 1594228168 MPJMXUUVQCPEQQ-CLAHSXSESA-N 320.305 -0.930 50 20 DBGD Cc1nnc(NNC(=O)NC2CCN(CC(=O)O)CC2)n1C 1594493187 SSSHXXPHOJHYOU-UHFFFAOYSA-N 311.346 -0.701 50 20 DBGD NS(=O)(=O)c1ccc(N2CC[C@H](B(O)O)C2)c(C(=O)O)c1 1601199175 NJPFXVDTXWAXPF-ZETCQYMHSA-N 314.128 -0.915 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NCC1(C(=O)O)CC1 1601345278 XBQVVSVRIVBRCV-UHFFFAOYSA-N 323.305 -0.034 50 20 DBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 1601892839 RIQJTDDDUUFRPB-DTWKUNHWSA-N 312.326 -0.904 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(CC(=O)O)CC1 1603761004 DMTDLWXJCRVWJH-LLVKDONJSA-N 314.386 -0.729 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)cn1 1608110508 SWNGTPVUKLEAJC-WJVNWJGRSA-N 314.305 -0.138 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCn2ccnc2)n1 43311785 DOWZDQZGUJNWJJ-UHFFFAOYSA-N 305.342 -0.273 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 266771984 KCIUCLWQBGBXKI-NSHDSACASA-N 308.294 -0.314 50 20 DBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)Cc2ccncc2)CC1=O 267540786 CDNOSQFPKPWOIM-LBPRGKRZSA-N 319.365 -0.036 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1[N+](=O)[O-] 274065513 MRWYAEVWTKVUQH-UHFFFAOYSA-N 323.309 -0.449 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)Cc2ccc(F)cc2)O1 276606905 MEYKFXBPYAGTFM-WDEREUQCSA-N 309.297 -0.452 50 20 DBGD CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)C(C)(C)O 278039137 VOTQLJHLZQUDFR-UHFFFAOYSA-N 321.377 -0.004 50 20 DBGD COCC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCC1 288480107 RJUODHPHFGNSNA-UHFFFAOYSA-N 320.349 -0.225 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NN(C)CCOC)c1 294312518 IDENHWFJRFXBLS-UHFFFAOYSA-N 309.366 -0.037 50 20 DBGD O=C(NNc1nnc[nH]1)[C@H]1COCC(=O)N1Cc1ccccc1 298432230 OUIXRLJGKXMIJT-LLVKDONJSA-N 316.321 -0.325 50 20 DBGD NC(=O)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCCC1 584953056 XVIRKVWMBUIUPG-UHFFFAOYSA-N 308.118 -0.719 50 20 DBGD NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584960022 HIWNTKZNRIXFSZ-BXKDBHETSA-N 308.118 -0.721 50 20 DBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)CCN1CCO 584975789 FKSACPQERCMTLK-UHFFFAOYSA-N 324.161 -0.966 50 20 DBGD O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cccc(B(O)O)c1 585008351 MVGFVZLKKUZEOO-GFCCVEGCSA-N 301.111 0.193 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@@H]3COC[C@H]3[C@@H]2C1 585010435 QQFDXVXRANHECS-RNJOBUHISA-N 305.114 -0.530 50 20 DBGD C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(B(O)O)cc2F)CC1=O 585024970 INYBRPMRRPOKSL-GAJTVXKRSA-N 306.146 -0.396 50 20 DBGD OC[C@H](C[C@@H](O)c1ccccc1)NCc1ccccc1B(O)O 585035418 UFNMYUFOHMSYSK-DOTOQJQBSA-N 315.178 -0.059 50 20 DBGD COc1cccc(OC)c1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058412 FATWZTVYSQFHPP-VIFPVBQESA-N 315.156 -0.059 50 20 DBGD COCCn1cc(S(=O)(=O)NNC(=O)NCC2CC2)cn1 747788139 TYHHFJXONSLMLF-UHFFFAOYSA-N 317.371 -0.568 50 20 DBGD O=C(NNC(=O)c1c[nH]c2ncccc12)C(=O)N1CCCC1 748240323 RRESFBJURKDTKV-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD COC(=O)c1coc(S(=O)(=O)NNC(=O)NCC2CC2)c1 753962168 ASVGIPCWLIHQBO-UHFFFAOYSA-N 317.323 -0.031 50 20 DBGD CC(C)(C(N)=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 767411900 UXOSNFLDOQOQHM-JTQLQIEISA-N 307.306 -0.515 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@]1(C)CCN(C(C)=O)C1 772163039 IRROUSXALTYHON-YMTOWFKASA-N 313.354 -0.266 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C2(O)CCOCC2)nc1C 773638407 NEEDMHQDMSGPSG-UHFFFAOYSA-N 324.337 -0.054 50 20 DBGD CN(C)CCOCCNC(=O)NNC(=O)c1ccccc1O 788013124 GWXMEBDJHXXPOF-UHFFFAOYSA-N 310.354 -0.086 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@](F)(CO)C2)cc1 802011754 PXXXRUNVYLZVHD-OAHLLOKOSA-N 320.324 -0.274 50 20 DBGD C#CCOCCNC(=O)NNc1ccc(-n2ccnc2)nn1 805280027 XBUUOIGEBFSDCZ-UHFFFAOYSA-N 301.310 -0.062 50 20 DBGD C[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 839533678 XJUCDUOQOFDPCV-JOYOIKCWSA-N 322.321 -0.189 50 20 DBGD Cc1nnnn1-c1ccc(C(=O)NNC(=O)CN(C)C)cc1 846633454 OBNKCNJTRDRQIQ-UHFFFAOYSA-N 303.326 -0.707 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2CCO[C@H]21 858244961 LTSWULYZVOVAEC-OINDSLJFSA-N 310.354 -0.591 50 20 DBGD COCCN(CC(F)F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695322 FKSCMWHFKUAKJJ-SSDOTTSWSA-N 308.285 -0.781 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1c(F)cccc1F 863462644 URQLPWBUEXZMGE-UHFFFAOYSA-N 306.290 -0.301 50 20 DBGD COC(=O)N1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 865112202 HYURMCZQINIPPX-GFCCVEGCSA-N 306.127 -0.673 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CSCC(=O)N1 935197075 ZWICJNHUGICQBN-LURJTMIESA-N 308.454 -0.924 50 20 DBGD COCCC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 1253208305 QATRLKYXUIRWAJ-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD COC(=O)C(=O)NN=C1C(=O)Nc2cc(OC)c(OC)cc21 1318966153 PGZXPLCRDPISAB-UHFFFAOYSA-N 307.262 -0.351 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccccc1F 1321615484 SXDGQOCRRZHJPF-UHFFFAOYSA-N 308.269 -0.810 50 20 DBGD C=CCNC(=S)NNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1326978216 ILEBBLFYZFNWPY-UHFFFAOYSA-N 320.378 -0.445 50 20 DBGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 1327588993 CDOIJZSEFCAVEW-ONGXEEELSA-N 323.353 -0.025 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC1CCN(C)CC1 1330902923 PALUGXHTZORMBY-SNVBAGLBSA-N 302.375 -0.538 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1n[nH]c2c1CCCC2 1331834568 QVNYPWQWLGKKNP-UHFFFAOYSA-N 314.367 -0.977 50 20 DBGD CN1CC[C@@]2(CCN(C(=O)NNC(=O)c3cccnn3)C2)C1 1349796518 OZCXJAZGQPQIQV-CQSZACIVSA-N 304.354 -0.141 50 20 DBGD CNC[C@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1578623018 DQCGNEJUMUOMKO-JTQLQIEISA-N 300.403 -0.068 50 20 DBGD N[C@@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1580404736 OCAASJFXVBUHHU-DMDPSCGWSA-N 317.349 -0.780 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1CS(=O)(=O)C1 1593161865 FBKMULJSBGCCLN-UHFFFAOYSA-N 308.323 -0.646 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1cccc(C(=O)O)c1 1599759434 UFSIWXGVGBPRAG-UHFFFAOYSA-N 301.324 -0.233 50 20 DBGD O=C1CN(CC(=O)NNc2cccc(C(=O)O)c2F)CCN1 1609041089 OGTLAVKGSQOMSS-UHFFFAOYSA-N 310.285 -0.601 50 20 DBGD CNC(=O)[C@@H](C)CN(C)CC(=O)NNC(=O)c1ccccc1 81556917 KTOKVIDJOAOGBX-NSHDSACASA-N 306.366 -0.239 50 20 DBGD C[C@@H]1OCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)[C@H]1C 268907755 NJFISZOIGJLFQD-UWVGGRQHSA-N 324.337 -0.141 50 20 DBGD Cc1c(CC(=O)NNC(=O)C(=O)NC2CC2)cccc1[N+](=O)[O-] 269585735 CDXZPYJMIOJQDS-UHFFFAOYSA-N 320.305 -0.128 50 20 DBGD O=C(NCC(=O)N1CCOCC1)NNC(=O)c1ccccc1 271968385 MWLITJLBHKFJQQ-UHFFFAOYSA-N 306.322 -0.511 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 276165650 APSFHZHRQNEOLE-LURJTMIESA-N 311.260 -0.685 50 20 DBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 291420208 IQPYXJXVWQNZHE-QWRGUYRKSA-N 324.293 -0.047 50 20 DBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)N1CCOCC1 299365251 JRTMPFHXXSMVHB-SECBINFHSA-N 301.347 -0.714 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](OCCO)C1 584965822 UEWRPPMKRFGWJK-LLVKDONJSA-N 311.118 -0.881 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@H]1[C@H]1CCCO1 584988024 BEMPFXNZDNSMBD-ZIAGYGMSSA-N 305.139 -0.614 50 20 DBGD OC[C@@H]1CCCN1CCCCNCc1ccc(B(O)O)cc1 585024020 SBYRZXVCTUPWHM-INIZCTEOSA-N 306.215 -0.307 50 20 DBGD Cc1ccoc1C(=O)NCCCNCc1ccc(B(O)O)o1 585025456 UWECWFKGSWKLOW-UHFFFAOYSA-N 306.127 -0.229 50 20 DBGD O=C(CN1CCCNC1=O)NNc1nc(-c2ccncc2)no1 728072623 VDBIQKBEYSSUJN-UHFFFAOYSA-N 317.309 -0.010 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)[C@H](C)CN1CCOCC1 732528502 MJCXHGMVAGLJIM-SNVBAGLBSA-N 305.400 -0.509 50 20 DBGD CC(=O)NNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743285546 PXZAQASMPZRUNH-QMMMGPOBSA-N 324.362 -0.329 50 20 DBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)CS(C)(=O)=O 744399704 XFCPNAQQUAPLPA-SNVBAGLBSA-N 321.443 -0.065 50 20 DBGD C#CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 753887228 SNDJJKITAYMBEN-UHFFFAOYSA-N 321.358 -0.135 50 20 DBGD NC(=O)c1cnn2c(C(=O)NNC(=O)C3CCCC3)ccnc12 763769416 AILDVVVWDNIVPE-UHFFFAOYSA-N 316.321 -0.221 50 20 DBGD COC[C@@](C)(O)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772158510 FPPBJMLADFMHKC-TVQRCGJNSA-N 304.343 -0.491 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1(O)CCC1 773022213 GFKQGAOGPFSBJB-UHFFFAOYSA-N 316.358 -0.244 50 20 DBGD O=C(NNc1cnccn1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 779843571 HHGIRGWCPIWNHH-RYUDHWBXSA-N 314.305 -0.110 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCC(=O)NCC#N 807552234 RUPYPQOGGBRIOA-UHFFFAOYSA-N 319.321 -0.792 50 20 DBGD Cc1ccoc1CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 823434013 GKHAMHXTQSYZPN-SECBINFHSA-N 315.351 -0.352 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 823928273 LYICGKQJZVKGDB-ZBEGNZNMSA-N 321.377 -0.263 50 20 DBGD CON1CCC(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 826984786 QSLFFBJXECNXLP-MWLCHTKSSA-N 300.359 -0.232 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCS(=O)(=O)N1 845089428 VSAMXKFXROVSQP-SNVBAGLBSA-N 315.326 -0.793 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCS(=O)(=O)C2)n1 846053203 OBECASRVOHWLNZ-SNVBAGLBSA-N 311.363 -0.024 50 20 DBGD Nc1nccc(C(=O)NNC(=O)N2CCOCC2)c1[N+](=O)[O-] 847403197 SSBSGGXWENFHAJ-UHFFFAOYSA-N 310.270 -0.741 50 20 DBGD O=C(NNC(=O)[C@H]1CCNC1=O)Nc1ccc2c(c1)OCO2 854378425 PSNAPFDSGGZXSH-QMMMGPOBSA-N 306.278 -0.296 50 20 DBGD COc1ccccc1CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858090383 NYUOGQCXSWGSRS-LLVKDONJSA-N 320.349 -0.153 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCNc2ccccn2)N1 858231149 NVIHEVWNLGKVFF-SNVBAGLBSA-N 320.353 -0.507 50 20 DBGD C#Cc1cccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858524331 AORPYGSANDOLFB-GFCCVEGCSA-N 300.318 -0.223 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNC(=O)NCC3CC3)CC2=O)cn1 858782655 ZWYZEIXTBOAXQQ-SNVBAGLBSA-N 320.353 -0.487 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(F)c(F)c(O)c2F)N1 862461401 OQGMIYIGTXHZLQ-ZCFIWIBFSA-N 317.223 -0.151 50 20 DBGD CN(CC(=O)NNC(=O)CNC(=O)c1ccco1)C1CCC1 863862940 CWFFVNNUBQIQFY-UHFFFAOYSA-N 308.338 -0.359 50 20 DBGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 913730635 COEHEMSTTXVNKQ-VIFPVBQESA-N 321.381 -0.090 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H](C)Sc1nncn1C 918689535 YHQHJZGHGQVWIF-SSDOTTSWSA-N 300.413 -0.023 50 20 DBGD CCOCCC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 1116364925 BFSGITHBKQUUOL-UHFFFAOYSA-N 312.370 -0.198 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNc2nc3ccccn3n2)nn1 1116747147 GWFNQVZSXZCBCQ-QMMMGPOBSA-N 302.298 -0.483 50 20 DBGD COc1ccc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)cc1 1317700545 MXVNISJQBACAOB-SNVBAGLBSA-N 320.305 -0.556 50 20 DBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCO1 1320192871 ZSDMTVXFSOBHSK-OUAUKWLOSA-N 318.395 -0.226 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@H]1CCCN(C(C)=O)C1 1321508096 STWRNZCKFTXWJC-LLVKDONJSA-N 300.359 -0.388 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCN3CCC[C@H]3C2)cn1 1321920957 PUQABGIQBAZMIA-NEPJUHHUSA-N 306.370 -0.009 50 20 DBGD Cn1ncc2c1C[C@H](C(=O)NNc1nccn(C)c1=O)CC2 1322587829 HRNOKBICTZCDCH-SECBINFHSA-N 302.338 -0.238 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NN=c2cc[nH]cc2Cl)nn1 1323772514 ZPQIXADCUSYTBB-UHFFFAOYSA-N 323.744 -0.407 50 20 DBGD O=C(NC[C@@H]1CCCS1(=O)=O)NNC(=O)c1ccc[nH]1 1326768357 LDKRPZYQJWFWFD-QMMMGPOBSA-N 300.340 -0.464 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)Cn1cccn1 1328771308 MEDWSVUAMOPVTQ-UWVGGRQHSA-N 308.342 -0.872 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCOc1ccccc1OC 1330488831 JZJIJKPACSPURQ-UHFFFAOYSA-N 311.294 -0.423 50 20 DBGD Cn1cc(C(=O)NNC(=O)CS(C)(=O)=O)c(C2CCC2)n1 1331834661 RWYHRTJUGFMDGP-UHFFFAOYSA-N 314.367 -0.507 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCSCC1 1332076805 BHOJVAVXQXAAOC-WDEREUQCSA-N 316.427 -0.209 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O)[C@@H]1CCN1 1580732522 FHOWCPPBQCJFEY-SDDRHHMPSA-N 303.318 -0.200 50 20 DBGD Cn1cccc1C(=O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592581951 UAQBIUWBWRYXLF-UHFFFAOYSA-N 312.293 -0.074 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)[C@H]1CCCO1 1594783010 RGZPPKRTGGKIPV-MRVPVSSYSA-N 302.352 -0.089 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(=O)O)c1 1599143246 PQKGFJVLMOWRSW-UHFFFAOYSA-N 309.278 -0.574 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(C(=O)O)s1 1599747341 QPTKBTMISKUPNV-UHFFFAOYSA-N 306.321 -0.748 50 20 DBGD CN(NC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CC1)C(N)=O 1604826578 BULPRFPHNDOCBU-UHFFFAOYSA-N 301.310 -0.060 50 20 DBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)c1n[nH]c2c1CCCC2 1605814803 UKQHKTKXPPWWPU-AWEZNQCLSA-N 322.321 -0.317 50 20 DBGD CC(C)C[C@@H](CN1CCCC1)NC(=O)NNC(=O)C(=O)O 1609701857 PMODKJYDSILBRY-JTQLQIEISA-N 300.359 -0.088 50 20 DBGD CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013561 XMQBBMIKRPYSGT-UHFFFAOYSA-N 302.139 -0.797 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCC2)co1 270035604 HYRWXVLGRIGHAT-UHFFFAOYSA-N 301.324 -0.251 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)[C@@H]2CCCO2)c(=O)c1 293883046 DPIVDKVKLCSSAM-XHDPSFHLSA-N 323.349 -0.766 50 20 DBGD O=C(NNC(=O)[C@H]1CCOC1)c1ccc(-n2cnnn2)cc1 299471287 BQISJYZEMJGIMG-JTQLQIEISA-N 302.294 -0.540 50 20 DBGD O=C(NNC(=O)C1(O)Cc2ccccc2C1)C(=O)N1CCCC1 363302156 FYSQCDBWEGFBBZ-UHFFFAOYSA-N 317.345 -0.714 50 20 DBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1 490689556 DWQIGXUUMAPESV-UHFFFAOYSA-N 318.263 -0.368 50 20 DBGD CN(C)C(=O)O[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 495912404 GCTZATKSYIEFFT-JTQLQIEISA-N 314.386 -0.048 50 20 DBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)Cn1cccn1 584930011 GBZSNYSCUJSGDN-SNVBAGLBSA-N 305.118 -0.232 50 20 DBGD CC1(C)CN(CCNC(=O)c2ccc(B(O)O)cc2)CCO1 584937019 PBOJDBVVQULNML-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CS[C@H](CO)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584963037 OOFLKCRSLJMYKW-WRWORJQWSA-N 301.148 -0.652 50 20 DBGD CC(C)OC[C@@H](CO)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584982926 NQXYBGNPUFTLFX-LLVKDONJSA-N 313.134 -0.637 50 20 DBGD CN(C)C(=O)c1cccc(CNCc2ccc(B(O)O)o2)c1 585014906 IEDUXJXYZGKVCH-UHFFFAOYSA-N 302.139 -0.049 50 20 DBGD OB(O)c1cccc(CNC[C@@H]2CN3CCCC[C@H]3CO2)c1 585032460 VFAYMZOTETUGNY-JKSUJKDBSA-N 304.199 -0.291 50 20 DBGD CS(=O)(=O)C1(CNCc2ccc(B(O)O)cc2)CCCC1 585039776 BJMFDPKHOWQDLT-UHFFFAOYSA-N 311.212 -0.187 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)CN1CCCNC1=O 729514299 WXYATDYGVKITGO-UHFFFAOYSA-N 305.338 -0.339 50 20 DBGD O=C(CSCC(=O)N1CCOCC1)NNc1cnccn1 740927674 MVUNBXDNULMGPR-UHFFFAOYSA-N 311.367 -0.488 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1c[nH]c2ncccc12 741764769 XTDSNKUOHRPNCF-QMMMGPOBSA-N 309.351 -0.049 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)Cn2cnc3ccccc32)CCN1 760265878 WLUIFOYDEGFTJD-SNVBAGLBSA-N 315.333 -0.290 50 20 DBGD COC(=O)C1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1 766836332 XYYQDYQPRUSUAR-UHFFFAOYSA-N 320.301 -0.056 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCN1CCOCC1 807369570 ZENPTPPJHBOCAM-UHFFFAOYSA-N 317.386 -0.355 50 20 DBGD Cc1n[nH]c(C)c1CCC(=O)NNC(=O)N1CCN(C)CC1 807379754 COPKBWBZONDWIU-UHFFFAOYSA-N 308.386 -0.053 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 816820937 GIUOIVZOCCYCQG-JTQLQIEISA-N 304.306 -0.392 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)n1 823812929 RNFNPLBRHQPYLM-BETUJISGSA-N 323.397 -0.162 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)NCCN1CCNCC1 841921670 WSTFKEPDGSWMKR-UHFFFAOYSA-N 319.409 -0.145 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 846634562 ZJKVQOUBUNZPOA-ZRUFSTJUSA-N 315.395 -0.326 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=S)NCC2CCC2)C1=O 855092770 BDJWUTHRLWAVDO-UHFFFAOYSA-N 313.383 -0.824 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)OCC(F)(F)F 856021632 SAQWFOQTQSUETI-RXMQYKEDSA-N 306.262 -0.013 50 20 DBGD O=C(NNc1ncc(Cl)cn1)N[C@H]1CCS(=O)(=O)C1 856719933 WZECCAMERQFEIJ-ZETCQYMHSA-N 305.747 -0.057 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456420 XYNWUEQJEHBUAQ-VIFPVBQESA-N 319.383 -0.983 50 20 DBGD COC(=O)[C@@H](CC(C)C)NC(=O)COc1ccc(B(O)O)cc1 863865372 DASKBTKUWPHSHD-CYBMUJFWSA-N 323.154 -0.551 50 20 DBGD COC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 913176777 SNKWFRXKVUJNGW-UHFFFAOYSA-N 301.324 -0.062 50 20 DBGD CC1(C)CNC(=O)[C@H]1NCC(=O)NNC(=O)c1ccccc1 931660145 BQBFKRZPPIWMDL-GFCCVEGCSA-N 304.350 -0.438 50 20 DBGD CC(=NNC(=O)CO)c1c(C)nn(CCS(C)(=O)=O)c1C 1116492445 AVPGWJVSZSQKNC-UHFFFAOYSA-N 316.383 -0.623 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(SC)nc1 1116712203 UJTFXJAOXWBBEL-UHFFFAOYSA-N 312.307 -0.938 50 20 DBGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)NC1CC1 1118636608 RRJIPMLRFGPWLI-UHFFFAOYSA-N 304.353 -0.498 50 20 DBGD O=C(CC(=O)NNC(=O)Cc1cc[nH]n1)NCC(F)(F)F 1254695917 HCNBGKNQHPHGGG-UHFFFAOYSA-N 307.232 -0.832 50 20 DBGD Cc1nn2cccnc2c1C(=O)NNC(=O)C(=O)NC(C)C 1318050741 HWACXNMKAMQOAA-UHFFFAOYSA-N 304.310 -0.677 50 20 DBGD Cn1cc(CC(=O)NNC(=O)CNC(=O)c2ccco2)cn1 1318141180 KNPSSXSKIDWOBS-UHFFFAOYSA-N 305.294 -0.867 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc2cnccc12 1320711725 UJXDXFQVGPXQKG-UHFFFAOYSA-N 316.273 -0.506 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccn(-c2ccncc2)n1 1320800883 UAGMURJRBMFWTI-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD CN(C)N(C(=O)CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1326341217 YGSSZDNIVZLOCL-LBPRGKRZSA-N 314.411 -0.155 50 20 DBGD CC(C)(C)S(=O)(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1328784652 UJTZMOCUMUMUOS-UHFFFAOYSA-N 317.371 -0.433 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2OCCN(C)C2=O)cc1 1332380381 RTAZFAVDSFFIQS-NSHDSACASA-N 307.306 -0.687 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(F)cc(OC)c1 1342602589 YOUSUGMKDYQABU-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD NCCNC(=O)NNC(=O)Cc1cccc(C(F)(F)F)n1 1580311276 NEORCPLWNOUMGK-UHFFFAOYSA-N 305.260 -0.068 50 20 DBGD OB(O)c1ccccc1CNC[C@H]1CC2(CCNCC2)CO1 1580876850 XOCOEKQNZVIPIM-CQSZACIVSA-N 304.199 -0.385 50 20 DBGD CN1CC[C@@](C)(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1=O 1591178208 GDEYDQBEFINRTG-ZDUSSCGKSA-N 316.325 -0.427 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)[C@@H]1CCS(=O)(=O)C1 1593154716 FXDCDFQJWSJZSX-SSDOTTSWSA-N 324.322 -0.656 50 20 DBGD 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50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@@H]2CCN(C)C2=O)cn1 874953882 KFDSNCCMIXFIRV-VIFPVBQESA-N 323.378 -0.114 50 20 DBGD C#CCNC(=O)CN1CCN(S(=O)(=O)CCCCl)CC1 881859703 AMGWJRMYNNAHRK-UHFFFAOYSA-N 321.830 -0.688 50 20 DBGD CN(C)CC(=O)NNC(=O)C[C@@H]1C(=O)Nc2c(F)cccc21 894135712 ZROCIUSCKMEGDD-VIFPVBQESA-N 308.313 -0.040 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H](F)C(F)(F)F 1117668329 BEGFADXQFYSMEG-WHFBIAKZSA-N 306.237 -0.531 50 20 DBGD CS(=O)(=O)CCCCNC(=O)NNC(=O)[C@H]1CCCCO1 1261443155 KPGDHBOEDDMSKM-SNVBAGLBSA-N 321.399 -0.289 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccccc1-n1ccnc1 1319299513 LGAVJZQLZCQFCW-UHFFFAOYSA-N 317.305 -0.124 50 20 DBGD Cc1nn(CCCl)c(C)c1C(=O)NCCOCC(N)=O 1319521198 UDYIPOARFKQLSB-UHFFFAOYSA-N 302.762 -0.030 50 20 DBGD CN(C)C(=O)COc1cccc(NC(=O)NNC(=O)CCO)c1 1320277006 YSZXARFWLJPKTR-UHFFFAOYSA-N 324.337 -0.311 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 1320543197 KHKUSGKDYVANAY-UHFFFAOYSA-N 322.277 -0.031 50 20 DBGD CN(C)CCc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1321605140 PDNZGYGAYRLSJD-UHFFFAOYSA-N 322.365 -0.741 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCO1 1325965809 UWVDPBFCFLWTEX-UTUOFQBUSA-N 314.386 -0.538 50 20 DBGD C[C@@H]1C(=O)CC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1(C)C 1329208443 QTOMXLSLUOGAKB-BDAKNGLRSA-N 318.395 -0.180 50 20 DBGD Cn1cc(C2=NO[C@@H](C(=O)NNC(=O)C3CCNCC3)C2)cn1 1579954662 GQXURIIYXZWMHD-GFCCVEGCSA-N 320.353 -0.940 50 20 DBGD C=CCNC(=S)NNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1588663854 PDKLMHLKQAVJEQ-UHFFFAOYSA-N 318.366 -0.135 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)CC1 1598611530 XPMBKVTWOYWURT-XYPYZODXSA-N 312.370 -0.134 50 20 DBGD O=C(O)c1ccc(CS(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 1608890252 XXWQTKVSCCHKSG-NSHDSACASA-N 313.140 -0.237 50 20 DBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 1610823292 HBWXJPUSDJBJPQ-LURJTMIESA-N 316.291 -0.827 50 20 DBGD NCC(=O)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1809667428 FBDLUPFUJABQCE-LLVKDONJSA-N 317.817 -0.224 50 20 DBGD CCOCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349780 NTGWEIWIQLFSJN-SNVBAGLBSA-N 304.774 -0.174 50 20 DBGD CO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847562821 ADYWJLSZLUEIKC-RCWTZXSCSA-N 304.774 -0.177 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1ccccc1 7923597 VVSHCXQICAYWTM-UHFFFAOYSA-N 306.366 -0.096 50 20 DBGD O=C(Cn1cnc2ccccc2c1=O)NNC(=O)[C@@H]1CCCO1 61581137 DYZPHNHDKZMFCN-LBPRGKRZSA-N 316.317 -0.277 50 20 DBGD O=C(CN1Cc2ccccc2C1=O)NNC(=O)N1CCOCC1 264345947 ZYDZBVLNQBLGGA-UHFFFAOYSA-N 318.333 -0.285 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2ccncc2)CC1=O 298330959 FJQWXKOWZYGXGM-LLVKDONJSA-N 306.322 -0.663 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 490895185 ZRZXQAIKEFSZRF-LLVKDONJSA-N 323.305 -0.280 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCS(C)(=O)=O 494741004 BJOKSCITEYXDBO-UHFFFAOYSA-N 323.371 -0.907 50 20 DBGD CCOCCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494741687 GMRCHLRODDDDGT-UHFFFAOYSA-N 304.347 -0.122 50 20 DBGD CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(B(O)O)c1 584941632 DPSIBXNBBKSXNH-HNNXBMFYSA-N 320.198 -0.451 50 20 DBGD CN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(B(O)O)ccc1F 584969744 IOFNJPFRIQPXRD-SECBINFHSA-N 309.024 -0.499 50 20 DBGD CC(C)CN1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C)C1=O 584975644 XEDSTHGKWMONEW-GFCCVEGCSA-N 318.182 -0.305 50 20 DBGD CCOCCOCCN(C)C(=O)c1cc(B(O)O)ccc1F 584980100 QEFORQCIMYSCIS-UHFFFAOYSA-N 313.134 -0.369 50 20 DBGD CS(=O)(=O)C1(c2nc(-c3cccc(B(O)O)c3)no2)CCC1 585052544 PXRXBKVILFDDKV-UHFFFAOYSA-N 322.151 -0.160 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)c1ccc(-n2cnnn2)cc1 732528075 QQAFVBPEQNAVBB-UHFFFAOYSA-N 322.350 -0.187 50 20 DBGD CN1CC[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1=O 736858559 ZWWRPGGSALADNI-SNVBAGLBSA-N 316.325 -0.277 50 20 DBGD CCOC(=O)COc1cccc(C(C)=NNC(=O)C(N)=O)c1 747042138 MOIAZGMXZCJVEJ-UHFFFAOYSA-N 307.306 -0.046 50 20 DBGD C[C@H]1CCS(=O)(=O)CCN1CC(=O)NNC(=O)C(C)(C)C 763849795 GBOBSOOUTKDAJK-JTQLQIEISA-N 319.427 -0.311 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(C)n1 764205051 XPWUCNVQKMWVQV-UHFFFAOYSA-N 309.326 -0.954 50 20 DBGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)C(N)=O)c1 770437938 ATWHBBITJNISJR-UHFFFAOYSA-N 320.758 -0.097 50 20 DBGD CCc1nn(C)cc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 770601480 ISHMPMDKNZUTOY-SNVBAGLBSA-N 313.383 -0.197 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 771837549 FAALXGBGXCJEDZ-SNVBAGLBSA-N 306.278 -0.166 50 20 DBGD COc1ccc(NNC(=O)[C@H]2CCCN2S(C)(=O)=O)nc1 781531027 YQEFQJFADFFRHT-SNVBAGLBSA-N 314.367 -0.043 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)Nc2ccccc2)C1=O 801986219 BZDKBMHKBROJGG-UHFFFAOYSA-N 319.277 -0.740 50 20 DBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)N=c1cc[nH]cc1 802026205 PGRIFFRJPHPMNK-UHFFFAOYSA-N 319.281 -0.149 50 20 DBGD COc1ccc(C(=O)NCC(=O)NNc2nc[nH]n2)cc1OC 816632143 VTXFFFJWSJMTQX-UHFFFAOYSA-N 320.309 -0.305 50 20 DBGD O=C(CN1CSCCSC1)NNC(=O)N1CCOCC1 827836882 PYPAUIUGRYBBGX-UHFFFAOYSA-N 320.440 -0.244 50 20 DBGD CCCCNC(=O)NNS(=O)(=O)c1cnn(CC(=O)O)c1 829401435 HZHDMSOKUODCMG-UHFFFAOYSA-N 319.343 -0.740 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNc1nccnc1OC 840571425 KFHWSPBTXVBMPQ-UHFFFAOYSA-N 317.371 -0.352 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 843972773 HUCULLWRGBCBSR-CBAPKCEASA-N 317.301 -0.244 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(F)cnc1O 856744949 XWKIILBNWLIOQG-ZCFIWIBFSA-N 317.298 -0.878 50 20 DBGD O=C(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)Nc1ccccc1 858694144 HGMVDCGCEPCUFZ-SNVBAGLBSA-N 319.321 -0.766 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(OC)n[nH]1 861382372 ZLBRMVHDHMYLTG-SSDOTTSWSA-N 301.303 -0.378 50 20 DBGD COc1cccc([C@H](O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862458115 XORROXUGZLXGHK-PWSUYJOCSA-N 307.306 -0.845 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)N1 862464276 WFAVPLHVAVQAIN-GWOFURMSSA-N 322.365 -0.893 50 20 DBGD CCC(CC)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863881288 PEKITXKKLIJGDC-UHFFFAOYSA-N 311.118 -0.033 50 20 DBGD Cn1c(S)nnc1CCCNC(=O)c1ccc(B(O)O)cc1 863883451 AJCJAHHZWPIKJY-UHFFFAOYSA-N 320.183 -0.854 50 20 DBGD CC[C@@H](NC(C)=O)C(=O)NN(C)C(=S)NCCCOC 864590849 POTQLJHMLWOUCE-SNVBAGLBSA-N 304.416 -0.225 50 20 DBGD COCCOCC(=O)NNC(=S)NCCc1cccnc1 865244327 MCXDBDSNIGNHFX-UHFFFAOYSA-N 312.395 -0.218 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCCO1 869909236 NUEGILWVXUMZGJ-RYUDHWBXSA-N 318.370 -0.229 50 20 DBGD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCl 881755341 AKJDPLDNANXKCI-QMMMGPOBSA-N 312.775 -0.691 50 20 DBGD C[C@@H]1CCCN1CCNC(=O)NNC(=O)C(=O)N1CCCC1 897480403 ZADNVFMNBYTNKX-LLVKDONJSA-N 311.386 -0.577 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CN1CCCCS1(=O)=O 900001286 KWRZYUBGNACOJW-UHFFFAOYSA-N 322.456 -0.294 50 20 DBGD COCCCOCCC(=O)NNC(=O)CN1CCCC1=O 913733508 LHDVPKUJVDSRCC-UHFFFAOYSA-N 301.343 -0.801 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)CN1CCCC1=O 920432631 DTONIBKSZRSTGR-JTQLQIEISA-N 324.381 -0.549 50 20 DBGD CN(CCS(C)(=O)=O)C(=O)NNC(=O)Cc1cccnc1 1116367525 HZDVUHJBIODRNU-UHFFFAOYSA-N 314.367 -0.659 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1ccncc1 1123731261 CGNXDSNPDQDGGK-AAEUAGOBSA-N 303.366 -0.840 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN(C(=O)C2CC2)CC1 1318330305 LFLRSQIAVXKWRH-UHFFFAOYSA-N 312.370 -0.246 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)Cc2ccncc2)n1 1319149540 GICDIFVXARMEHP-UHFFFAOYSA-N 313.317 -0.160 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc2c(c1)CCO2 1320700097 LTAAQPCQHWGQIP-UHFFFAOYSA-N 307.306 -0.333 50 20 DBGD NC(=O)c1cccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1324429992 SVLDSONCKYOPSE-LLVKDONJSA-N 309.347 -0.330 50 20 DBGD Cn1ncc2c1C[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)CC2 1327011842 BVSMJBDHKZWEDU-QMMMGPOBSA-N 315.337 -0.443 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 1328075909 MJNAHMYVCNGSOD-UHFFFAOYSA-N 319.339 -0.336 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc2cccnc12 1337981686 SGDJNNQSRJBQCI-UHFFFAOYSA-N 302.290 -0.297 50 20 DBGD C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CNC1 1575068414 ACXIMFAYZKJKMZ-SNVBAGLBSA-N 302.334 -0.060 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)[C@H](CN)OC)cc1OC 1578174594 XFWUCJOOXKSYLN-LBPRGKRZSA-N 311.338 -0.171 50 20 DBGD CNNC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1578741400 NPUYVCNXBUPJPW-SECBINFHSA-N 300.359 -0.295 50 20 DBGD Cn1nncc1NNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 1580027452 OLGWLTXYKQQMAQ-JTQLQIEISA-N 315.337 -0.216 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CC(C(=O)O)=NO1)C1CC1 1589121375 KDJWSLOLODVFOX-SVGQVSJJSA-N 300.340 -0.490 50 20 DBGD CCCNC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1590638650 UUJIZOMYRIJPHZ-UHFFFAOYSA-N 319.329 -0.586 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1594646753 ZXQDDAHKVFXXST-UKKRHICBSA-N 314.338 -0.029 50 20 DBGD O=C(O)c1csc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 1602563721 HRGFCHOENGQXSA-SSDOTTSWSA-N 305.142 -0.316 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cccc(F)c1-c1nn[nH]n1 1606851489 AEVQXQXSFUVJQG-SECBINFHSA-N 320.284 -0.054 50 20 DBGD CCOC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1OC 21772670 NOTOGOJYSZATNN-UHFFFAOYSA-N 317.323 -0.267 50 20 DBGD CCNC(=O)CCCC(=O)NNC(=O)Cn1nc(C)cc1C 104826317 TVBFDSITYDKYHG-UHFFFAOYSA-N 309.370 -0.046 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1=O 119535167 XWFFHNGUQYLCEZ-UHFFFAOYSA-N 324.768 -0.125 50 20 DBGD CN(C)CC(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 263923674 UFWZMKWJZBKPIL-UHFFFAOYSA-N 318.333 -0.618 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1ncccn1 269493366 TUQSRPRBLKDTNR-MRVPVSSYSA-N 301.372 -0.116 50 20 DBGD COCCOc1cc(C(=O)NNC(=O)c2cnn(C)c2)ccn1 271996355 RWLMKOBDVWVCLV-UHFFFAOYSA-N 319.321 -0.085 50 20 DBGD Cc1nc2c(c(C)c1CCC(=O)NN(C)C(N)=O)c(=O)[nH]n2C 272144143 DYAMRFIHDPWBHG-UHFFFAOYSA-N 320.353 -0.147 50 20 DBGD COC(=O)NNC(=O)Cc1cccc(NS(C)(=O)=O)c1 274279162 JFRIZIIVGXGSKY-UHFFFAOYSA-N 301.324 -0.012 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)NC(=O)CC(C)(C)C 275097056 DPLMNYSQWFLKRI-VIFPVBQESA-N 314.386 -0.401 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C[C@@H](NC(N)=O)c1cccs1 276254367 MMKKUFHHVXKLSI-SSDOTTSWSA-N 314.367 -0.234 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 276254381 MMUNCGZLTKTFSZ-NTSWFWBYSA-N 311.260 -0.638 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCC(=O)c2cnn(C)c2)CC1 288022918 QDOJLFCKPRHERK-UHFFFAOYSA-N 322.369 -0.629 50 20 DBGD O=C(CC1CC1)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 294194307 PAODRNAHKPNKIA-DUBDDPSESA-N 317.345 -0.259 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)CNc1ccccc1OC 299222708 MPWLFOWTZPHRRH-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)N3CCOCC3)cc12 299355049 HPBWVYPBOSZYQW-UHFFFAOYSA-N 304.310 -0.047 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 363807530 WKAZFAZVGAUEKN-GFCCVEGCSA-N 314.301 -0.119 50 20 DBGD CCOC(=O)N1CCCN(CC(=O)NNC(=O)C2CC2)CC1 493967757 BBUPHOYCIRKKMM-UHFFFAOYSA-N 312.370 -0.292 50 20 DBGD O=C(NCc1nnc2n1CCCCC2)c1cccc(B(O)O)c1 584927452 CZKZUPPEGDBCNY-UHFFFAOYSA-N 314.154 -0.386 50 20 DBGD O=C(N[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1)C1CCC1 584945295 XTLHGVBVLAQTQB-CQSZACIVSA-N 316.166 -0.503 50 20 DBGD CCS[C@H]1CC[C@]1(O)CNC(=O)c1ccc(B(O)O)cc1 584957229 MSJBDLZYVLOVCY-JSGCOSHPSA-N 309.196 -0.257 50 20 DBGD CS[C@@H](CO)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584963034 OOFLKCRSLJMYKW-CPCISQLKSA-N 301.148 -0.652 50 20 DBGD O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(B(O)O)c1 584970913 VADMEDCXJDRUNE-UKRRQHHQSA-N 305.139 -0.566 50 20 DBGD CCN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(B(O)O)c1 584974882 SOZWOJRXZJMANB-JTQLQIEISA-N 305.061 -0.248 50 20 DBGD C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584975937 GRCVFZLVHNUYNT-SECBINFHSA-N 324.161 -0.119 50 20 DBGD O=C(NC[C@H](CO)Cc1cccnc1)c1ccc(B(O)O)cc1 584983883 VKDBEVZBHFMAOI-CYBMUJFWSA-N 314.150 -0.658 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(O[C@H]2CCOC2)CC1 584999601 YACUALMNGIABSN-HNNXBMFYSA-N 319.166 -0.224 50 20 DBGD Cc1ncccc1NC(=O)[C@H](C)NCc1ccc(B(O)O)o1 585045006 YZSXBDVIFHCYGT-JTQLQIEISA-N 303.127 -0.220 50 20 DBGD CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 585072593 OYVVNIPOQGHDPF-VHSXEESVSA-N 300.189 -0.237 50 20 DBGD O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@H](B(O)O)C1 585074572 BCASHDSLSCPNKF-STQMWFEESA-N 323.202 -0.011 50 20 DBGD O=C(NNC(=S)NCCc1ccccn1)C(=O)N1CCCC1 726130771 VUIBDJGWKOHKKR-UHFFFAOYSA-N 321.406 -0.258 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1COc2ccc(F)cc21 728434261 LDOFTOIPVRJDBV-ZETCQYMHSA-N 315.326 -0.024 50 20 DBGD O=C(CN1CCC[C@H]1[C@@H](O)C(F)(F)F)NNC(=O)C1CC1 733198502 IEMDYQALWUDJCG-WCBMZHEXSA-N 309.288 -0.069 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CCNC(=O)O 738135307 AQARLODFKIJOQT-UHFFFAOYSA-N 311.294 -0.121 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)Cc1ccncc1 747671236 IQEOZUWWCLTMGT-UHFFFAOYSA-N 309.395 -0.356 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)NCc1ccc(F)cc1 755278671 AUYLDOKPLAVFFA-UHFFFAOYSA-N 319.296 -0.445 50 20 DBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)O1 756923449 ZZPVFKDNNXRCPP-BBBLOLIVSA-N 319.383 -0.539 50 20 DBGD CCc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)nn1 759380906 WGBAXVCYFJCSQY-UHFFFAOYSA-N 305.338 -0.269 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)o1 759773332 DSPHLTTWZOUFDK-DTWKUNHWSA-N 310.310 -0.435 50 20 DBGD CNC(=O)NCC(=O)NNc1ccccc1S(C)(=O)=O 761954101 ZLIHDKCBGNJHKT-UHFFFAOYSA-N 300.340 -0.538 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CC(C)C)cn1 770221399 KGVYUAXTQYVPTG-UHFFFAOYSA-N 314.367 -0.203 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 772694851 SECQCCIYKOFVCF-QMMMGPOBSA-N 324.362 -0.896 50 20 DBGD CN(NC(=O)Cc1cccc(NS(C)(=O)=O)c1)C(N)=O 778417214 PZPNZYKGHLUNOH-UHFFFAOYSA-N 300.340 -0.358 50 20 DBGD O=C(NNC(=O)C(F)(F)C1(O)CCCC1)C(=O)N1CCCC1 786026433 CEXDEMLWRGPLDD-UHFFFAOYSA-N 319.308 -0.303 50 20 DBGD CCC(=O)NNC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 800595762 FYEJFSNRZOXEPL-UHFFFAOYSA-N 321.337 -0.275 50 20 DBGD Cc1[nH]c(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)O 800809172 DLNMDCMZUFUXHK-QMMMGPOBSA-N 313.335 -0.094 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(=O)N1CCC[C@@H](C)C1 805563711 ZWWPJCLUKVSWGZ-ZJUUUORDSA-N 313.354 -0.266 50 20 DBGD Cn1cc(C=NNC(=O)CNC(=O)c2cccnc2)c(O)n1 814223234 FBTLPSIDMNGXGP-UHFFFAOYSA-N 302.294 -0.599 50 20 DBGD CN(CC(=O)NCCCSC#N)[C@@H]1CCS(=O)(=O)C1 816538598 XUINZZLFJMXGDP-SNVBAGLBSA-N 305.425 -0.174 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2ccccc2O1)C(=O)NC1CC1 839469556 MDZGAALAMWQFTQ-GFCCVEGCSA-N 303.318 -0.194 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNc2ncccn2)CC1 847321689 XFRMHFNJKYBWRQ-UHFFFAOYSA-N 313.383 -0.019 50 20 DBGD CN(C[C@@H]1COCCO1)C(=O)NNC(=O)Cc1cccnc1 852058273 CZFGZRCYINNEEV-GFCCVEGCSA-N 308.338 -0.288 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H]2CCO[C@H]21 858244959 LTSWULYZVOVAEC-JZSSXWJLSA-N 310.354 -0.591 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1(F)F 858700535 NTVZJUWOXJJCJT-YUMQZZPRSA-N 304.297 -0.017 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454422 ULUALYKXJPHSOR-JTQLQIEISA-N 306.322 -0.467 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(F)cc2F)N1 863413170 DLAAQSCXFGWTAY-QMMMGPOBSA-N 319.289 -0.447 50 20 DBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)Cc1cc[nH]n1 874437171 HHHUXFPWPULEGD-UHFFFAOYSA-N 309.370 -0.542 50 20 DBGD CC(C)CC(=O)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 1319508419 JMSCFEFDEPQVIB-UHFFFAOYSA-N 310.398 -0.266 50 20 DBGD CSCCNC(=S)NNC(=O)C(=O)Nc1cc(C)on1 1320523307 ZJDYXVSUGAMCCS-UHFFFAOYSA-N 317.396 -0.220 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H](C)N1C(=O)CCC1=O)C1CC1 1328758123 YSIHJPQADXETDZ-JGVFFNPUSA-N 312.395 -0.182 50 20 DBGD CCOC1CC(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1329175522 VPLZXJQYYMCDQC-VQXHTEKXSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H](O)c2ccsc2)N1 1329752231 BUMONDPRIMUSIV-RKDXNWHRSA-N 312.351 -0.610 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=S)NCC1CCC1 1352422824 DVDGEDPIFNAHIR-CMPLNLGQSA-N 311.455 -0.330 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)N1CCN(C)CC1 1521614962 BZZCZWINMHBSLY-LLVKDONJSA-N 323.401 -1.000 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCn1ccc(C(=O)O)n1 1594644105 LGSHJMYOBGLBKZ-NXEZZACHSA-N 324.337 -0.066 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN(Cc2ccccc2)C1 1601552593 AGWHOMMOBVOFSP-LLVKDONJSA-N 306.322 -0.324 50 20 DBGD Cn1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)cc1C(=O)O 1610600911 CRQQYFXAEQHAMZ-UHFFFAOYSA-N 319.277 -0.383 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(CCC(=O)O)o1 1776097000 BWJFITVMQBMENR-UHFFFAOYSA-N 302.308 -0.209 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ccnnc2)C1 1842397361 KIFNIQHAKISFOS-NSHDSACASA-N 324.768 -0.107 50 20 DBGD COCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558301 JEGDVKHCDUSRHG-DCAQKATOSA-N 304.774 -0.176 50 20 DBGD O=C(NNC(=O)c1ccc(O)nn1)c1ccc2c(c1)OCO2 26962330 XFHISALSVCALST-UHFFFAOYSA-N 302.246 -0.014 50 20 DBGD COc1ccc(NNC(=O)NCCC(=O)N2CCOCC2)nc1 276028122 VYZQOSHCCHUGFA-UHFFFAOYSA-N 323.353 -0.035 50 20 DBGD COc1ccc(OC)c(CC(=O)NNC(=O)C(=O)NC2CC2)c1 299343490 FVMKLODYVUFFKT-UHFFFAOYSA-N 321.333 -0.328 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)c2ccccc2)nn1 318191008 SARNNNWFKXIVTB-UHFFFAOYSA-N 303.278 -0.474 50 20 DBGD COC[C@](C)(NCC(=O)NNC(=O)c1ccccc1)C(=O)O 328408681 GJRNHAGFJQNWAZ-AWEZNQCLSA-N 309.322 -0.473 50 20 DBGD COC(=O)N(C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 490579695 XCMZTTJXQBPIJV-VIFPVBQESA-N 307.372 -0.823 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1CN1CCOCC1 584954318 FHVBTMYFYPGLSC-HNNXBMFYSA-N 318.182 -0.697 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 584955567 RNCHZVRJVQMSEI-HBJVGIJOSA-N 305.114 -0.245 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCS[C@H]2COCC[C@H]21 584965831 UIGGYBPVNRFLSD-OLZOCXBDSA-N 307.180 -0.287 50 20 DBGD O=C(N[C@H]1CCn2ccnc2C1)c1cc(B(O)O)ccc1F 584973361 GWJSTQGUYDLZJL-JTQLQIEISA-N 303.102 -0.553 50 20 DBGD CCN1CCN([C@@H](C)CNCc2ccc(B(O)O)cc2F)CC1 585016022 QPIHTJLAESBHCD-ZDUSSCGKSA-N 323.221 -0.379 50 20 DBGD CNC(=O)[C@@H](Cc1ccccc1)NCc1ccc(B(O)O)o1 585038168 VBRAYLXPTAMSRP-CYBMUJFWSA-N 302.139 -0.594 50 20 DBGD O=C(NCB(O)O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 585060305 CFBIMRUHCYYDSO-LLVKDONJSA-N 308.118 -0.194 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 751273016 UWSHZHHEKRREDH-UHFFFAOYSA-N 320.327 -0.758 50 20 DBGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)C(C)C 763816962 TYBFPGMRMVTTFU-UHFFFAOYSA-N 310.310 -0.148 50 20 DBGD CCOC(=O)/C(C#N)=C/NNc1nc(O)c2cnn(C)c2n1 769775110 FFOJIVIENCZLDQ-FNORWQNLSA-N 303.282 -0.044 50 20 DBGD O=C(CC(=O)NNC(=O)N1CCOCC1)NCC(F)(F)F 779660942 PZLHCSDHCRKGGR-UHFFFAOYSA-N 312.248 -0.872 50 20 DBGD COC(=O)CNC(=O)NNC(=S)NCCc1ccccn1 779722002 VVWLHJXDZRBDCB-UHFFFAOYSA-N 311.367 -0.525 50 20 DBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 812535146 WKJCLPKNKDJVSK-WDEREUQCSA-N 322.365 -0.123 50 20 DBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 816770414 WWNONLACXGDKON-SECBINFHSA-N 304.310 -0.100 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1nccc(OC)n1 816859835 MYMQOTZSXDVAJR-ZETCQYMHSA-N 303.344 -0.744 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](S(C)(=O)=O)C1 827273268 GJYSEIMQPFUSTN-LPEHRKFASA-N 319.383 -0.729 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)n1 827968592 CURPMHBBRXKWJH-UHFFFAOYSA-N 311.342 -0.136 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 841378077 WQEITKPQYUHQLX-WCBMZHEXSA-N 317.305 -0.099 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCNc2ccccn2)N1 858231148 NVIHEVWNLGKVFF-JTQLQIEISA-N 320.353 -0.507 50 20 DBGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458519 FTKZUYVIIBYJDN-VIFPVBQESA-N 322.277 -0.357 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)N1 862458739 IERRMTHGSZKRPH-YGCZWVOZSA-N 315.373 -0.194 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c2ccccc21 862463439 DDRSVLNSNMNPCC-SECBINFHSA-N 301.306 -0.387 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc(C2CC2)o1 863090724 WYFCWQATHCHUIU-ZETCQYMHSA-N 300.340 -0.060 50 20 DBGD C[C@@]1(C(=O)NNC(=O)COc2ccc(F)cc2)CCNC1=O 873798446 IOHKIRVOYLATQY-CQSZACIVSA-N 309.297 -0.122 50 20 DBGD C[C@]1(C(=O)NC[C@@H](O)Cn2ccnn2)C[C@@H]1Br 909915437 SRHJYCZPHAGYKS-WEDXCCLWSA-N 303.160 -0.071 50 20 DBGD CCN1CCC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 925982321 JBQWGIZCDJLOPD-GHMZBOCLSA-N 312.370 -0.103 50 20 DBGD CN(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C(N)=O 1117669647 NLXXDIVNPQLQKS-SSDOTTSWSA-N 304.347 -0.308 50 20 DBGD COc1cc(C(C)=NNC(=O)C(N)=O)ccc1S(C)(=O)=O 1318183606 QWKVXACGDYDFCB-UHFFFAOYSA-N 313.335 -0.576 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1326977786 GYKIRZDNYVGHBF-SECBINFHSA-N 317.436 -0.117 50 20 DBGD COC(=O)COCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1327618652 FLOMKFFNSWLYPV-UHFFFAOYSA-N 310.310 -0.761 50 20 DBGD Cc1noc([C@H]2CCCN2C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1331534432 UYNSPJCEEJFPDO-DTWKUNHWSA-N 322.325 -0.466 50 20 DBGD O=C(CN1CCN2CC(F)(F)C[C@H]2C1)NNC(=O)C1CC1 1332125106 NROPLNHHSOJXTP-JTQLQIEISA-N 302.325 -0.431 50 20 DBGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(Cl)c1 1342605635 AEOBRJLLKYHLAU-UHFFFAOYSA-N 310.697 -0.320 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(Cl)n1 1347773526 ZCYXRYGYRBGBFE-UHFFFAOYSA-N 313.745 -0.309 50 20 DBGD CC[C@H]1C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)CCO1 1348437429 WUOUTPNVQJBESB-UWVGGRQHSA-N 306.384 -0.226 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)CN2C(=O)CCC2=O)cc1 1351945571 FYPRZYSFINYDLR-UHFFFAOYSA-N 319.317 -0.006 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CC[C@H](N)CC2)ccc1=O 1579953246 PJDRGGCWQQVRKV-XYPYZODXSA-N 307.354 -0.401 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)o2)c1=O 1581796628 PCIQIPLYUNWPPZ-UHFFFAOYSA-N 302.254 -0.690 50 20 DBGD C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)n1cncn1 1588999904 QXJYYYRKYOKKDN-SSDOTTSWSA-N 300.286 -0.443 50 20 DBGD Cn1ccnc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1=O 1592582478 PHFVFTOCIHVMSS-UHFFFAOYSA-N 301.270 -0.955 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(=O)O)c1F 1598884172 MGHNXDNHTNNDJV-UHFFFAOYSA-N 317.204 -0.011 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2CCOCC2)cc1OC 28914071 WLDAYKDUXBOHIR-UHFFFAOYSA-N 323.349 -0.203 50 20 DBGD O=C(NNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)C1CC1 264538341 LPXSYUMUUKXPJK-ZDUSSCGKSA-N 317.345 -0.029 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)cc1 264714973 OTCFASOHEAYIPT-UHFFFAOYSA-N 318.333 -0.048 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 267520194 UJRPVJQPFMBXFS-LLVKDONJSA-N 317.349 -0.282 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 269678752 QFSHCJITPVMYRQ-SNVBAGLBSA-N 324.337 -0.235 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 274062271 LROBOARJSVNFIZ-UHFFFAOYSA-N 322.321 -0.895 50 20 DBGD CC(C)(O)CCNC(=O)NNC(=O)CNC(=O)c1ccco1 274876625 YMHUNOZIIRMJLD-UHFFFAOYSA-N 312.326 -0.499 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccccc2)O1 287108945 NKGIYPOCCNENBF-MNOVXSKESA-N 306.322 -0.721 50 20 DBGD COCCN1C[C@@H](C(=O)NNc2nccc(OC)n2)CC1=O 298264945 AKFYVJKXPSNJDC-VIFPVBQESA-N 309.326 -0.577 50 20 DBGD CCN(CC(N)=O)CC(=O)NNC(=O)Cc1ccccc1C 298594933 RYRCBHXGORYOIL-UHFFFAOYSA-N 306.366 -0.508 50 20 DBGD C[C@H](C(=O)NNc1cnccn1)N1C(=O)NC2(CCCC2)C1=O 371676292 UABNHPPZTPRLDS-SECBINFHSA-N 318.337 0.173 50 20 DBGD Cc1nnc2n1C[C@H](CNC(=O)c1ccc(B(O)O)cc1)CC2 584950041 JATMZEONMRDNKW-NSHDSACASA-N 314.154 -0.741 50 20 DBGD O=C(NNC(=O)c1cnc2n(c1=O)CCS2)c1ccc[nH]1 728290715 GLQKMQVAXIXYLU-UHFFFAOYSA-N 305.319 -0.248 50 20 DBGD C[C@@]1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCCO1 756084307 KRANYCCJNFWYTN-NEPJUHHUSA-N 305.400 -0.064 50 20 DBGD CCCc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)co1 759387698 JMTSUEFKSIZMFM-MRVPVSSYSA-N 315.351 -0.177 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cn(C)nn2)c1 813012302 ZYKOYKUYGQZVNR-UHFFFAOYSA-N 318.297 -0.365 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)c1ccccn1)S(N)(=O)=O 816808108 BHUADIFMJDMUGD-VIFPVBQESA-N 300.340 -0.700 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1c[nH]nc1I 823718833 MZFCLFCIOONPPY-YFKPBYRVSA-N 324.122 -0.028 50 20 DBGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C12CCC2 838763525 DDIXBPRGSDIPQI-NXEZZACHSA-N 310.354 -0.447 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-n2cnnn2)c1 843650050 YVCHOLSGDHRVIG-BXKDBHETSA-N 316.321 -0.152 50 20 DBGD O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCCCNC1=O 852027999 NMVRTVHEIMVAJB-QMMMGPOBSA-N 309.301 -0.167 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccncc1 854118123 GOIURBJSESPZLR-QMMMGPOBSA-N 300.340 -0.830 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](O)c1cccnc1 854283201 LXFYENMYCMPUII-LLVKDONJSA-N 312.395 -0.011 50 20 DBGD COC[C@H](OC)C(=O)NNc1nccc(N2CCOCC2)n1 857152829 HMZBEDAJMSFXPI-JTQLQIEISA-N 311.342 -0.582 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452114 JKJLCSDNFIHHCQ-WCBMZHEXSA-N 310.354 -0.893 50 20 DBGD C[C@H](OCc1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 863460393 VHAAPJIFIJZIAC-JTQLQIEISA-N 314.363 -0.216 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccn(C2CCCC2)n1 863462061 FAFQXPHHLAAUHL-UHFFFAOYSA-N 314.367 -0.196 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(C[C@@H]2CCCO2)CC1 864536572 JKCBEWLWKSVZLX-HNNXBMFYSA-N 318.182 -0.697 50 20 DBGD COC(=O)[C@H]1CSCCN1CC(=O)NNC(=O)C(C)C 887077044 CNXMMIWGOAOJFC-SECBINFHSA-N 303.384 -0.620 50 20 DBGD CC(C)CNC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920077065 KXVOXSHKRJKYRS-MRVPVSSYSA-N 308.429 -0.492 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 920832440 QCHQGHRQANLEBY-UHFFFAOYSA-N 312.351 -0.282 50 20 DBGD O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNC(=O)C1CC1 921189809 XRCKLRSSDYTHKW-UHFFFAOYSA-N 323.330 -0.612 50 20 DBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)c1cccnn1 921309363 GGONZIAIEXEAAF-UHFFFAOYSA-N 307.354 -0.404 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(CNS(C)(=O)=O)o1 1118770874 SRGNYRKGYCRIDC-UHFFFAOYSA-N 320.396 -0.590 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CCN3CCCC3=O)nc21 1319382461 MVRGJRMJAXESMO-UHFFFAOYSA-N 319.325 -0.476 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cc(C(=O)OC)c(C)o1 1323432825 NMBWUUBKXSFCAY-UHFFFAOYSA-N 313.266 -0.622 50 20 DBGD O=C(NNC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ncccn1 1329911301 KMYWUSVNDRKLBB-LLVKDONJSA-N 320.353 -0.763 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NN=c1cc[nH]cc1 1342032893 ADZFDESLOCLNHG-SNVBAGLBSA-N 301.393 -0.133 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc(C)nc1N 1347549755 UZHZQXAOIVUBLV-UHFFFAOYSA-N 308.342 -0.567 50 20 DBGD N[C@@H]1C[C@H](C(=O)NNc2ccccc2S(N)(=O)=O)[C@H]2C[C@H]21 1580401581 MPCJTXVSRBPGFA-QCLAVDOMSA-N 310.379 -0.240 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNc1nccn(C)c1=O 1580465040 JAUBXTTUTYFRCU-UHFFFAOYSA-N 315.297 -0.646 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594144502 SPOXHXIMFAGSMJ-NSHDSACASA-N 321.289 -0.385 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1cccc(C(=O)O)c1 1598672184 OCPGVBIJTXKFIV-UHFFFAOYSA-N 316.339 -0.440 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)COCC(=O)O)c1 1600389944 UOGPSMFJZHQWQJ-UHFFFAOYSA-N 310.306 -0.069 50 20 DBGD Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1600833582 ALXXGTWHEMKHBK-ZETCQYMHSA-N 303.101 -0.476 50 20 DBGD CC(C)(O)C(=O)NNC(=O)COc1cccc(-c2nn[nH]n2)c1 1603167165 XHTBPYYCRJXYLZ-UHFFFAOYSA-N 320.309 -0.836 50 20 DBGD O=C(NNS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 14870745 UKXPOJPEDMFEBD-SECBINFHSA-N 318.376 -0.569 50 20 DBGD O=C(CN1C(=O)COc2ccccc21)NNC(=O)[C@@H]1CCCO1 32258265 OCHJDRVWCGDAAZ-LBPRGKRZSA-N 319.317 -0.262 50 20 DBGD CN(CC(=O)NNC(=O)C1CC1)S(=O)(=O)c1ccccc1 46419656 RDJFTKZMUNYGQX-UHFFFAOYSA-N 311.363 -0.136 50 20 DBGD C[C@H](C(=O)NNc1cc(Cl)nc(N)n1)N1CCN(C)CC1 273528483 RJEHARMIEPOACI-MRVPVSSYSA-N 313.793 -0.209 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNc1nc2ccccn2n1 276583044 NKAQGZQEDSFATB-UHFFFAOYSA-N 312.355 -0.210 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc[n+]([O-])c1 495351266 DFCFSKOFKZAWTG-UHFFFAOYSA-N 324.337 -0.004 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 496762954 HZXXSRXCVJHJHW-MUWHJKNJSA-N 308.250 -0.147 50 20 DBGD O=C(NCCCN1CCCCCC1=O)c1cccc(B(O)O)c1 584925950 VAVFRUJLCYSIQA-UHFFFAOYSA-N 318.182 -0.111 50 20 DBGD O=C(NCCCOC[C@H]1CCCO1)c1cccc(B(O)O)c1 584943073 BIDTYJYGBUZXRM-CQSZACIVSA-N 307.155 -0.318 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H]([C@@H]2CCCO2)C1 584957952 LARBVFXEVTWXQD-UONOGXRCSA-N 323.129 -0.475 50 20 DBGD CN1C[C@H]2CC[C@H](CC1=O)N2C(=O)c1cccc(B(O)O)c1 584996276 CWPGPALVXGYTPQ-CHWSQXEVSA-N 302.139 -0.798 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)N(C)CC1CC1 740812759 ZQXAWFYJPAGZKP-UHFFFAOYSA-N 320.415 -0.501 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNc1ncnc2[nH]cnc12 743470486 QHOLSHYCGCFYID-UHFFFAOYSA-N 317.309 -0.275 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CNC[C@@H]3C2)cc1 744389762 ZISJMPNMQUZKCT-ZIAGYGMSSA-N 313.361 -0.530 50 20 DBGD Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)c1cnn[nH]1 752622355 HCDHMXOAJZIVKJ-UHFFFAOYSA-N 316.281 -0.424 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(F)c1O 755697570 FTUPRMXUVRKQFJ-ZETCQYMHSA-N 303.315 -0.081 50 20 DBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 764292890 IRQIZXNTVSESIX-UHFFFAOYSA-N 311.301 -0.280 50 20 DBGD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=O)CO)no1 777781514 XRFCCPDBHXAMAE-SSDOTTSWSA-N 316.339 -0.817 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC(=O)N(C)C[C@@H]2C)cc1 782590212 AXHNJWSVQIZUML-LBPRGKRZSA-N 318.377 -0.081 50 20 DBGD CN(CC(=O)NNc1ccc2c(=O)[nH]ccc2c1)S(C)(=O)=O 803435163 MNRSALOWKAQCOI-UHFFFAOYSA-N 324.362 -0.137 50 20 DBGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNc2nc[nH]n2)c1 816632757 XECVZZOAFOFKJE-UHFFFAOYSA-N 312.311 -0.361 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@@H](CC(N)=O)C1 827289658 UQOZUMSBIKPGLD-GARJFASQSA-N 312.370 -0.260 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(C)n1 834816038 NHOCNAQTRPUIMM-SECBINFHSA-N 314.367 -0.521 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)c1ncccn1)C(=O)OC(C)(C)C 854952841 OCZNDGZZANYSTI-AWEZNQCLSA-N 324.337 -0.016 50 20 DBGD CCOc1ncccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860450780 ZZZAFORMBMOLRD-MRVPVSSYSA-N 307.310 -0.088 50 20 DBGD Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 861946059 JTIQYWVWKMCXMT-JTQLQIEISA-N 318.333 -0.332 50 20 DBGD COc1cccc2c(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)n[nH]c12 862463070 XPIQSVCTXUOSPX-QMMMGPOBSA-N 317.305 -0.389 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1F 863412161 IBCHQMVMZKREPQ-SNVBAGLBSA-N 315.326 -0.278 50 20 DBGD Cc1nn(CC(=O)NNC(=O)CS(C)(=O)=O)c(C)c1Cl 863459792 GSFVKEIUSJIEEF-UHFFFAOYSA-N 322.774 -0.655 50 20 DBGD Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)CS(C)(=O)=O 863460115 NCFQOQYAJKHTKB-UHFFFAOYSA-N 316.383 -0.477 50 20 DBGD CCNC(=O)NNC(=O)CN1CCC[C@@H](C(=O)OCC)C1 900386177 MBLZMCNPTPRWFU-SNVBAGLBSA-N 300.359 -0.388 50 20 DBGD CO[C@@H]1CCOC[C@H]1NCC(=O)NNC(=O)c1cccs1 934041325 YMYQQDCIVSPGEM-NXEZZACHSA-N 313.379 -0.097 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNC(=O)c1cccc(C#N)c1 1115983999 HDBNPEYGLIEJJU-UHFFFAOYSA-N 324.362 -0.063 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1cccn2c(O)nnc12 1116516807 NZIYQIDGQREDOJ-UHFFFAOYSA-N 312.289 -0.166 50 20 DBGD O=C(NNC(=O)N1CCO[C@H](C(F)F)C1)c1cccnn1 1262033224 TUJKFZRKGXTGEC-QMMMGPOBSA-N 301.253 -0.203 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1O 1318115666 LBKDFUCFJJOHQX-UHFFFAOYSA-N 322.321 -0.490 50 20 DBGD COCC#CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1330102480 GEKZPTQCJYVHAS-UHFFFAOYSA-N 324.362 -0.610 50 20 DBGD Cn1c(=O)oc2cc(C=NNC(=O)CS(C)(=O)=O)ccc21 1348412767 YNOLQMBIMPDNAE-UHFFFAOYSA-N 311.319 -0.374 50 20 DBGD CC1(C)[C@H](N)C[C@H]1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1576371855 NLRWIYVAKZWTAJ-YNEHKIRRSA-N 324.425 -0.240 50 20 DBGD CNC(=O)NNC(=O)c1ccc(OCCc2cnn[nH]2)cc1 1576905727 XEGSLZDRCFTIDH-UHFFFAOYSA-N 304.310 0.000 50 20 DBGD C[C@@H](O)CN(C)NC(=O)COc1ccccc1-c1nn[nH]n1 1590001286 WHQPLPPQWLKLOP-SECBINFHSA-N 306.326 -0.411 50 20 DBGD COC(=O)NNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591275111 KUJSOHLXTMNKHZ-JTQLQIEISA-N 315.293 -0.064 50 20 DBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccnnc2)CO1 1595005252 MNWDYRHMEHPLKC-ZJUUUORDSA-N 308.294 -0.493 50 20 DBGD COC(=O)CCN(CC(=O)O)C(=O)/C(C#N)=C/c1cnn(C)c1 1604303754 YRRPZXJIADOACX-VZUCSPMQSA-N 320.305 -0.197 50 20 DBGD CC(C)C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 15727372 GPCHLOKDPDDQOY-UHFFFAOYSA-N 312.351 -0.713 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)c1ccccc1 29518924 RQHOHWUDRSBHBH-UHFFFAOYSA-N 311.301 -0.043 50 20 DBGD C[C@@H]1COCCN1C(=O)NNC(=O)CNC(=O)c1ccco1 264153003 RARAWBDRLYIVGJ-SECBINFHSA-N 310.310 -0.529 50 20 DBGD O=C(NCCN1C(=O)CCC1=O)NNC(=O)c1ccccc1 265042500 QUPBVYLONCLERG-UHFFFAOYSA-N 304.306 -0.220 50 20 DBGD COC(=O)[C@@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 272138854 WFUBDTVLBXKMPD-LBPRGKRZSA-N 321.333 -0.679 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1CCN(c2ccccn2)CC1 272712778 YEUBUTROSGHOCA-UHFFFAOYSA-N 320.397 -0.104 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1cccc([N+](=O)[O-])c1 276190898 UJGJWIVRNZGLCL-ZJUUUORDSA-N 323.261 -0.012 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCCS2(=O)=O)n1 279838280 RMOUYEDCNIBDAM-UHFFFAOYSA-N 312.351 -0.813 50 20 DBGD CC(C)n1cnc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 282022093 PIIOJMAYCHFSPY-MRVPVSSYSA-N 317.371 -0.837 50 20 DBGD CN(C)N(C(=O)COc1cccnc1)[C@@H]1CCS(=O)(=O)C1 292521446 BSGLTZOOUYULBP-LLVKDONJSA-N 313.379 -0.047 50 20 DBGD O=C(CNC(=O)OCC(F)(F)F)NNC(=O)Cc1cc[nH]n1 495268995 AHAQOUHANKTOTP-UHFFFAOYSA-N 323.231 -0.612 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@H]1[C@H]1CCCO1 584988023 BEMPFXNZDNSMBD-UONOGXRCSA-N 305.139 -0.614 50 20 DBGD CC(C)(C)c1n[nH]c(CNC(=O)c2ccc(B(O)O)cc2)n1 584998026 NWSBOGMIXPCPIC-UHFFFAOYSA-N 302.143 -0.288 50 20 DBGD COCc1nc2n(n1)C[C@@H](NCc1ccc(B(O)O)cc1)CC2 585029185 WQQGZKNBFKUPRM-ZDUSSCGKSA-N 316.170 -0.791 50 20 DBGD O=C(N1CCCC1)N1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585040657 PAGZLDMANFZAIY-LBPRGKRZSA-N 321.186 -0.271 50 20 DBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O 729625619 ALWJEOYIODWOJX-QWHCGFSZSA-N 322.409 -0.123 50 20 DBGD NC(=O)[C@@H]1Cc2ccccc2N(CC(=O)NNC(=O)C2CC2)C1 733197715 ARQHNKSPITYYAY-GFCCVEGCSA-N 316.361 -0.292 50 20 DBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 747662463 PBVDUSRIBZYXDW-UHFFFAOYSA-N 313.273 -0.381 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c[nH]1 753162868 LYIZEPGMZFTXHW-VIFPVBQESA-N 313.335 -0.314 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCC(=O)NC1CCCC1 755426553 YGSVAJLFEPZGQY-UHFFFAOYSA-N 312.370 -0.503 50 20 DBGD CCC(=O)NNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 756390272 GOQIAAASTOWDOF-UHFFFAOYSA-N 321.337 -0.146 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccn(CCC#N)n2)cn1 756652947 CVJUWRPMQVXRRS-UHFFFAOYSA-N 302.298 -0.003 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc2occc2[nH]1 758025934 OHECNUQZCOEBOA-ZCFIWIBFSA-N 314.323 -0.540 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(C)C1 771991317 XTGOTFCFMZPXSN-ZJUUUORDSA-N 313.354 -0.410 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNc1ccnc(F)c1 781363537 SZEJGYQYUFLAEQ-UHFFFAOYSA-N 311.317 -0.304 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(C(=O)OC)nc1 782477332 NOAHUMNARAGXHO-UHFFFAOYSA-N 316.339 -0.277 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccccc2S(N)(=O)=O)C1 788229782 CQVWBSMCOIDONC-JTQLQIEISA-N 314.367 -0.892 50 20 DBGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)CO)c1C1CC1 806980505 QOSYUWYGXIIRED-UHFFFAOYSA-N 323.353 -0.505 50 20 DBGD O=C(CC1CC1)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 819105139 YMOLODWPUVBZBL-PHIMTYICSA-N 305.334 -0.115 50 20 DBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825855775 UIOVYOSZGRQJHO-GMTAPVOTSA-N 312.370 -0.247 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 842591586 DNFUXQGSYMVBLF-WCBMZHEXSA-N 302.356 -0.363 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@H](CO)NC(N)=O)c1C 855625888 MDCBBQRFZAGEON-JTQLQIEISA-N 310.310 -0.746 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNc3ncc(F)cn3)CC2=O)cn1 860463795 ZLSZSJXAACYIFL-QMMMGPOBSA-N 319.300 -0.155 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C2=Cc3ccccc3OC2)N1 862449420 FVTJXMASVMUTOQ-LLVKDONJSA-N 301.302 -0.112 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2cn[nH]c2)c(=O)c1 862469877 DKAFGJSFVJDXSV-CQSZACIVSA-N 319.321 -0.908 50 20 DBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)[C@H]1CCC(=O)N1 863147241 BJCPJBOJOAZWPO-GXSJLCMTSA-N 306.322 -0.049 50 20 DBGD NC(=O)[C@H](Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CCC(=O)N1 863379197 QGFBDAZCQJBUGC-MNOVXSKESA-N 324.768 -0.364 50 20 DBGD CC[C@H](NC(C)=O)C(=O)NN(C)C(=S)NCCCOC 864590848 POTQLJHMLWOUCE-JTQLQIEISA-N 304.416 -0.225 50 20 DBGD CO[C@H]1CN(CC(=O)NNC(=O)Cc2ccccc2C)CCO1 878970404 PBWSEMAUQCUMEX-MRXNPFEDSA-N 321.377 -0.010 50 20 DBGD COC(=O)c1ccccc1NNC(=O)[C@@H]1OCCN(C)C1=O 901327323 MMWGIXGFCKOLGV-NSHDSACASA-N 307.306 -0.227 50 20 DBGD CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1ccc(B(O)O)cc1)C2 909785147 OWXCWLHLYKDXGX-WHOFXGATSA-N 302.183 -0.174 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NN(C)C[C@H](C)O 910169310 AOAWHBYVFPJPCR-RYUDHWBXSA-N 321.443 -0.076 50 20 DBGD COc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1OC 913162462 NWWOAKYRNWQRMU-JTQLQIEISA-N 321.333 -0.328 50 20 DBGD C[C@@]1(C(=O)NNC(=O)CN2CCCC2=O)C[C@H]1Br 913732715 HGQRLKSMUHEAIM-RDDDGLTNSA-N 318.171 -0.070 50 20 DBGD Cn1nccc1[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 933537192 NAIDYNNZEVAJJD-GFCCVEGCSA-N 307.354 -0.649 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1118304179 YLWHLODRCBGWPC-SECBINFHSA-N 315.351 -0.065 50 20 DBGD COc1ccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 1317700542 MXVNISJQBACAOB-JTQLQIEISA-N 320.305 -0.556 50 20 DBGD CCCCN1CCC(NC(=O)NNC(=O)C(=O)OC)CC1 1318877778 UBNFDRSXPPWVKV-UHFFFAOYSA-N 300.359 -0.246 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCC(=O)N1CCCC1 1322273209 XOCDJEXYPFFOQC-UHFFFAOYSA-N 305.338 -0.423 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 1324306180 RIXRJBSNEIVMSL-CABZTGNLSA-N 319.383 -0.681 50 20 DBGD CC1CCN(CCC(=O)NN=Cc2cn(CC(=O)O)nn2)CC1 1333605417 LUCCHJCQKJAKEX-UHFFFAOYSA-N 322.369 -0.065 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CNOC1 1580737325 OLALGSRZOQXRBV-SECBINFHSA-N 308.294 -0.695 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(C(=O)O)cn1 1589424945 IIXZBOUBSOPRBL-ZCFIWIBFSA-N 310.266 -0.723 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CCO[C@@H](C(=O)O)C2)n1 1594387989 QCZJFXKVPCOCRF-SNVBAGLBSA-N 308.294 -0.470 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 1602392812 GDIMBNAJNJBYAI-SSDOTTSWSA-N 300.101 -0.983 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2ccccc2C(=O)O)C1=O 1606196464 FYEJJPFRYPSLER-UHFFFAOYSA-N 306.278 -0.278 50 20 DBGD CC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1792974576 CZSPHXQTWOQVTD-OSUNSFLBSA-N 318.801 -0.005 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)OC(C)(C)C 264825659 IFMANSHHTMADOW-UHFFFAOYSA-N 316.358 -0.425 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1=O 273520239 PVXKYJFDESWFJZ-UHFFFAOYSA-N 304.350 -0.388 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1cncc(Cl)n1 298703410 XOKDHXCDEZEVPF-UHFFFAOYSA-N 322.778 -0.305 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(C(N)=O)CCC1 494639199 DCFRMZVHVFYUEQ-UHFFFAOYSA-N 314.342 -0.686 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cncc(C(=O)OC)c1 495856663 PLBZLPMXRVNNPN-UHFFFAOYSA-N 303.296 -0.192 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H]([C@H]2CCCO2)C1 584957951 LARBVFXEVTWXQD-KGLIPLIRSA-N 323.129 -0.475 50 20 DBGD COCCO[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584977397 PTUMGTRXPYMYPT-NSHDSACASA-N 311.118 -0.617 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 584997607 ICDUTIDGFADIJN-HBJVGIJOSA-N 303.098 -0.469 50 20 DBGD O=C1CC[C@H]2CN(C(=O)c3ccc(B(O)O)c(F)c3)CC[C@@H]2N1 585006278 CLAJDJOIIGVOEV-GWCFXTLKSA-N 320.129 -0.754 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 585011172 XMRROACIQOUSPZ-CHIMOYNISA-N 307.130 -0.262 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CSC[C@H]1CCCCO1 727367618 WHCFIIREUJHKAY-SNVBAGLBSA-N 317.411 -0.039 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1cc(Cl)nc(N)n1 753449206 AMNBASIRIKYWHO-RXMQYKEDSA-N 307.763 -0.164 50 20 DBGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 764299804 JNMOWASKHOFYTC-UHFFFAOYSA-N 323.305 -0.404 50 20 DBGD O=C(NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CC1 779580291 YNCCTDHAVKBZDL-GHMZBOCLSA-N 304.306 -0.485 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N(C)C 821995074 ZPJLIRSNAGLXQS-QMMMGPOBSA-N 303.326 -0.422 50 20 DBGD CO[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C)c2)C[C@H]1O 832008083 UBQXFVCVDWAEKY-CHWSQXEVSA-N 307.350 -0.552 50 20 DBGD O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)[C@@H]1COCCO1 833183430 FCVCCAYBABKHKT-BBBLOLIVSA-N 300.311 -0.560 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1 833734126 IQGKJYFJTIMGEJ-UHFFFAOYSA-N 303.296 -0.728 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 854315086 VIQPDBORELKWQM-SNVBAGLBSA-N 311.386 -0.532 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(N)c([N+](=O)[O-])c1 862455706 IYSYMKHGTDRPQO-MRVPVSSYSA-N 321.293 -0.475 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1cn[nH]c1 862470680 UUWOPWAKXQFCQO-AWEZNQCLSA-N 319.321 -0.908 50 20 DBGD COC(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1 863378643 HPVHBKLHRAADKP-PWSUYJOCSA-N 309.297 -0.061 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1cc(F)cc(F)c1 872381941 DUSAVUUYRBFGLB-UHFFFAOYSA-N 324.305 -0.063 50 20 DBGD C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)c1ccc(B(O)O)cc1 912004947 XBYUEAFZXITPHE-OUAUKWLOSA-N 304.155 -0.554 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCOC2)c1 921151492 MCMLFLLMTZLTNV-SNVBAGLBSA-N 312.347 -0.112 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NCc2ccc(F)cc2)n[nH]1 1116407551 OAERLWWXOKAMOJ-UHFFFAOYSA-N 319.296 -0.065 50 20 DBGD CC1(CCNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)OCCO1 1116579285 ORSDLPUXUQPRCI-NSHDSACASA-N 321.399 -0.480 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=S)NC1CCOCC1 1252548767 SYJNIGBQYITPJH-VIFPVBQESA-N 305.400 -0.288 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(C)=O 1261745519 LFNMDKDLJQKLKL-OUAUKWLOSA-N 314.338 -0.283 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)NC1CCN(CC2CC2)CC1 1317914553 GJOPYSRXZRZEEB-UHFFFAOYSA-N 323.397 -0.530 50 20 DBGD N#Cc1ccc(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)cc1 1320085175 DBTGACNPAZTLOC-SNVBAGLBSA-N 302.290 -0.949 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCn2c(nnc2C(F)F)C1 1326390976 LPQVVKUUOWDIAW-SSDOTTSWSA-N 316.312 -0.023 50 20 DBGD COc1cccc(NNC(=O)c2cnn(C[C@@H](O)CO)c2)n1 1330783128 RDYJRHBNBYSIEC-SNVBAGLBSA-N 307.310 -0.603 50 20 DBGD CC(C)(NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 1590866754 PLXOGXRNBRGDCV-UHFFFAOYSA-N 324.293 -0.191 50 20 DBGD CNC(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 1591212421 QMXNGHKGUIGFEQ-SSDOTTSWSA-N 305.298 -0.406 50 20 DBGD Cc1cc(=NNC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cc[nH]1 1592053474 DRGCNSCYOALIHA-MRVPVSSYSA-N 314.313 -0.712 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(C(=O)O)cn1 1592815462 HZGVVBCTENGROA-ZETCQYMHSA-N 301.324 -0.096 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)O 1610190948 SARDQUFPDPCWFB-UHFFFAOYSA-N 311.250 -0.281 50 20 DBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2 1799270666 SDWHWLUPKNRLIW-RMPHRYRLSA-N 318.801 -0.026 50 20 DBGD CCN(CC)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 111544319 OTWBMXMTTORIQO-STQMWFEESA-N 314.430 -0.025 50 20 DBGD Cc1ccc2ncc(C(=O)NNC(=O)CN(C)C)c(=O)n2c1 113424533 VLNXFGGHYXJQLT-UHFFFAOYSA-N 303.322 -0.674 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 264567453 ZTVWAENDJLKCET-OAHLLOKOSA-N 305.334 -0.026 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1(NC(N)=O)CC1 270966300 SCIBASPOWQMMPI-QMMMGPOBSA-N 324.312 -0.059 50 20 DBGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NN(C)C(N)=O 272204967 QICNQJSNESCENA-NSHDSACASA-N 303.326 -0.193 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCn1nnc2ccccc2c1=O 276171350 BGOTVYSXSIEBNL-UHFFFAOYSA-N 319.321 -0.900 50 20 DBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)c1cnn(C)c1 278324296 KDEFTNMLMYVMFY-GFCCVEGCSA-N 307.354 -0.124 50 20 DBGD CNc1nc(C)cc(C(=O)NNC(=O)N2CCN(C)CC2)n1 287782162 KVTXQSXERBUWLB-UHFFFAOYSA-N 307.358 -0.571 50 20 DBGD COc1ncccc1CCNC(=O)NNC(=O)[C@@H]1COCCO1 290700150 JVIVFEWTALOHKS-NSHDSACASA-N 324.337 -0.622 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1COC(=O)N1 296011402 NOSQKPHTUFUEGT-BQBZGAKWSA-N 316.314 -0.845 50 20 DBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 299602308 VULDBDCIUSTWEI-UHFFFAOYSA-N 306.278 -0.022 50 20 DBGD O=C(NC1CC1)[C@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585023116 GOMDLRPGVGMPLM-CMPLNLGQSA-N 306.171 -0.114 50 20 DBGD COc1nc(C)cc(CNCc2ccc(B(O)O)cc2F)n1 585048557 AMBNAKJIILZCSO-UHFFFAOYSA-N 305.118 -0.098 50 20 DBGD COc1cccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 728170273 CGBFHODYQGRVNR-UHFFFAOYSA-N 315.351 -0.471 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 729274922 HNLNYDDAUVBISI-XFWSIPNHSA-N 303.384 -0.492 50 20 DBGD C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cnccn2)C1 739671518 USJIXYCCNJFXMR-UWVGGRQHSA-N 313.383 -0.066 50 20 DBGD CCNC(=O)COc1ccc(NC(=O)NNC(=O)CO)cc1 755646717 HMYBSRDVTRUQKP-UHFFFAOYSA-N 310.310 -0.654 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1ccco1 758024322 CAYZERXAOGNCJJ-SFYZADRCSA-N 303.340 -0.532 50 20 DBGD COCC(=O)NNC(=O)Nc1nc(CC(=O)OC)cs1 761861929 NNJWMNAWTNOYTA-UHFFFAOYSA-N 302.312 -0.342 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2nccn12 771099986 IIKSIXPQSJUEAF-SECBINFHSA-N 309.351 -0.278 50 20 DBGD CN(NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)C(N)=O 779543547 VXJWJYFPMDCANY-RKDXNWHRSA-N 310.335 -0.268 50 20 DBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)N=c1cc[nH]cc1 802026499 SZIYWHHUCPAFAZ-UHFFFAOYSA-N 300.340 -0.521 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(CC(N)=O)CC1 825760901 DKFYNQXHXLSPKY-ONGXEEELSA-N 312.370 -0.260 50 20 DBGD CSCCNC(=S)NNC(=O)C1(n2cnnn2)CC1 831570679 SWHUOYDLOFDSLU-UHFFFAOYSA-N 301.401 -0.980 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2sccn2c1=O 843641977 HZOSMOANMCZEJJ-HTQZYQBOSA-N 322.346 -0.058 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1cccc([N+](=O)[O-])c1 854122556 PREFMZOGRKLCJV-UHFFFAOYSA-N 317.265 -0.468 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C\c2ccc(C(N)=O)o2)CC1 854379280 VMHCXZURWUPFPA-HYXAFXHYSA-N 321.337 -0.620 50 20 DBGD CNC(=S)N(C)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 854927751 FSFXPFHFEIEUSM-UHFFFAOYSA-N 315.399 -0.436 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 861946084 KBVFYOKPXMSNER-JTQLQIEISA-N 304.306 -0.640 50 20 DBGD CCN(CC)CCSCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455055 CVEHZKHPZTUTAQ-JTQLQIEISA-N 316.427 -0.513 50 20 DBGD COC(=O)[C@H](CC(F)F)NC(=O)c1cc(B(O)O)ccc1F 863877219 BAZQEMLGVWYEIC-VIFPVBQESA-N 319.044 -0.568 50 20 DBGD O=C(NN=Cc1cnc(N2CCCC2)nc1)C(=O)NC1CC1 914772871 DRIMNFWVLJRXQB-UHFFFAOYSA-N 302.338 -0.195 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)N1 920314756 FTEGLSUZXMNZGI-NSHDSACASA-N 313.317 -0.088 50 20 DBGD Cn1ncc(NC(=O)C(=O)NNC(=O)C2CC2)c1C(F)(F)F 1116713630 MWYJMYQGJRVYHP-UHFFFAOYSA-N 319.243 -0.065 50 20 DBGD CCCNC(=O)NNC(=O)c1nc(S(C)(=O)=O)ncc1C 1118636442 PWGDLQBFLSLFNV-UHFFFAOYSA-N 315.355 -0.457 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc2cncn12 1118942438 CVYUIJOTWHGDBZ-LLVKDONJSA-N 301.306 -0.318 50 20 DBGD O=C(c1ccc(N2CCOCC2)nc1)N1CC[C@H](B(O)O)C1 1118976743 ZSIHKZFTFAOABM-LBPRGKRZSA-N 305.143 -0.393 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 1253618434 AJQPAHKAPMVSIE-AEJSXWLSSA-N 311.338 -0.163 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CCN3CCOCC3)nc21 1319288751 CWPVYNPETYSEPJ-UHFFFAOYSA-N 321.341 -0.766 50 20 DBGD C[C@@]1(NNC(=O)N[C@@H]2CCCOCC2)CCS(=O)(=O)C1 1320081884 WSDIEMLPDGNPSE-ZYHUDNBSSA-N 305.400 -0.064 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-n2ccnc2)nc1 1320348902 IGCFVCFMUQMYMR-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD Cc1nnsc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1324087566 JAEVGYJJMXWIIJ-JTQLQIEISA-N 319.412 -0.272 50 20 DBGD CN(C)CCn1cc(NC(=O)NNC(=O)C2CCNCC2)cn1 1326589246 AYLDAZBZQCBWNK-UHFFFAOYSA-N 323.401 -0.403 50 20 DBGD Cc1noc(C2CC2)c1C(=O)NNC(=O)CS(C)(=O)=O 1329127444 OFTOCAGKTXBWJM-UHFFFAOYSA-N 301.324 -0.334 50 20 DBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1329716915 VOPZJTAGALTPBT-DTWKUNHWSA-N 320.367 -0.842 50 20 DBGD Cc1ccnn1CC(=O)NNc1nc(O)c2cnn(C)c2n1 1331413921 XNOKIYUMTDPWMW-UHFFFAOYSA-N 302.298 -0.283 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cnc(C(F)(F)F)nc2)N1 1331802263 CGDUDHVAQFBOKD-LURJTMIESA-N 317.227 -0.465 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(S(C)(=O)=O)CC1 1340898245 LKYKVMQOCKANDL-VIFPVBQESA-N 305.400 -0.559 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 1343405149 MDQGSGDWTLWAGB-UHFFFAOYSA-N 306.200 -0.821 50 20 DBGD CN1CCC(CNC(=S)NNC(=O)[C@H]2CCC(=O)N2)CC1 1351650300 HIVBFENWQIQALC-SNVBAGLBSA-N 313.427 -0.898 50 20 DBGD Cn1cc([C@H](O)C(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1 1592568256 YWHABFBUIGUTSR-NSHDSACASA-N 314.309 -0.223 50 20 DBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)cs1)c1cn[nH]c1 1593157331 IUMANKDFCKDUHM-UHFFFAOYSA-N 304.295 -0.274 50 20 DBGD O=C1C[C@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CN1 1593385499 LCISQINXJLXAGW-QMMMGPOBSA-N 316.325 -0.371 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cc(Br)c[nH]1 1593912116 WSUPRSCCUJYDTI-LURJTMIESA-N 320.099 -0.362 50 20 DBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C(=O)O)C1 1594407399 VIDMGOWJVAMEBG-QPUJVOFHSA-N 309.102 -0.169 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CC1 1601192495 NJFDEXDNCPBANS-UHFFFAOYSA-N 317.298 -0.212 50 20 DBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1OC 13358846 SNXBUYHEYFCVFR-UHFFFAOYSA-N 304.280 -0.057 50 20 DBGD CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)CCCCl)C1 37842654 SDMFQQKYPHPHHB-VIFPVBQESA-N 318.848 -0.041 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc[nH]1 299447768 MQWRLIYFUCLMQH-AOOOYVTPSA-N 318.333 -0.049 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](N2CCCC2)C1 584939879 MEGYOSOVLIOWQQ-GFCCVEGCSA-N 306.146 -0.184 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](C)n1cncn1 584942740 CWUYOXOBWMCBEC-RKDXNWHRSA-N 306.106 -0.524 50 20 DBGD C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(B(O)O)c1)C[C@@H](C)O2 584981907 CHSRFDOLDZRJNI-WQGACYEGSA-N 319.166 -0.225 50 20 DBGD O=C1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)[C@@H](C2CC2)N1 584987442 PGXIZXPUHSMXSL-TZMCWYRMSA-N 302.139 -0.847 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)o2)CCCN1c1cccnc1 585035266 QPDDBDCNEHODCQ-CYBMUJFWSA-N 315.138 -0.360 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CCCN1C(=O)CNC1=O 726138728 INQYVRYSRLENAH-UHFFFAOYSA-N 315.399 -0.388 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCS(=O)(=O)C1 731651556 DDUIRBATWRMQMM-VIFPVBQESA-N 323.440 -0.705 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C(F)(F)F 733659022 ROLQJFFQQPDDMF-ZCFIWIBFSA-N 312.248 -0.827 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CS(=O)(=O)C(C)C 740852340 WLPSTDBPIIJXLW-UHFFFAOYSA-N 321.399 -0.738 50 20 DBGD CC[C@H](C(=O)NNC(=O)NCCCOC)N1CCCC1=O 746168326 NCMFMTSGOQTIFN-SNVBAGLBSA-N 300.359 -0.246 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 750653502 VJAVUHSYNXKTKJ-LLVKDONJSA-N 301.306 -0.267 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2ccccn2)c1C 752905942 GSMNBONDBAJVOC-UHFFFAOYSA-N 301.306 -0.133 50 20 DBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CO)cc1Cl 756140039 NONLTOMQXPBFDZ-UHFFFAOYSA-N 300.702 -0.155 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2cnn(-c3ccccc3)n2)nn1 757401705 DPTOOCXIFCNFLL-UHFFFAOYSA-N 324.304 -0.087 50 20 DBGD CC[C@H](C(=O)NNc1ccc(C(N)=O)nn1)N1CCCC1=O 757407552 KLRLPDISFOHYCW-SECBINFHSA-N 306.326 -0.580 50 20 DBGD CS[C@H](C)CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758025733 NNVVUTCENNPJBJ-HTQZYQBOSA-N 311.429 -0.397 50 20 DBGD COc1ccnc(NNC(=O)N[C@H]2CCCS(=O)(=O)C2)n1 758659395 UGILQSNHUOXBJT-QMMMGPOBSA-N 315.355 -0.312 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1C(F)(F)F 764421370 NDCYAGWJFFMFSZ-UHFFFAOYSA-N 305.212 -0.216 50 20 DBGD CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)CO 777782107 QHGWHYIUIWCMBN-OTOXVQDCSA-N 301.368 -0.616 50 20 DBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802031201 FGOHPKBLLANBIU-NXEZZACHSA-N 305.338 -0.052 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(F)c(S(C)(=O)=O)c1 803159571 NZVZBXAQJKYNDC-UHFFFAOYSA-N 318.326 -0.239 50 20 DBGD CN(C)c1cccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)c1 814215329 OJYJTJAUFYTZPN-UHFFFAOYSA-N 303.278 -0.796 50 20 DBGD CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)N1CCOCC1 817351259 VLCHBEBUJIHZRJ-LLVKDONJSA-N 323.415 -0.076 50 20 DBGD COc1ccnc(NNC(=O)NCCCCS(C)(=O)=O)n1 824748589 PWVOFSAWWZREIY-UHFFFAOYSA-N 317.371 -0.064 50 20 DBGD CC(C)c1nccnc1NNC(=O)CNS(=O)(=O)N(C)C 834580037 FALYVTCTJZSVRG-UHFFFAOYSA-N 316.387 -0.561 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 854925263 CEXFUFRHHGYYTP-JTQLQIEISA-N 321.406 -0.103 50 20 DBGD CC1=C(C(=O)NNC(=O)CC(F)(F)F)S(=O)(=O)CCO1 855001077 TZGNZRWZCVWSGS-UHFFFAOYSA-N 316.257 -0.237 50 20 DBGD CC[C@H](C)[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858503458 ATTGHLDNGSAMHT-GUBZILKMSA-N 300.359 -0.344 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NN[C@@H](C)C(F)(F)F)C1=O 862308916 JLBOSAYMMPNMKH-LURJTMIESA-N 322.243 -0.465 50 20 DBGD CON=Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862449353 NRWMZGCOFVQDGP-LLVKDONJSA-N 304.306 -0.294 50 20 DBGD Cc1ccc(F)c(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862458193 ZNGSEXLMRYSJBV-SNVBAGLBSA-N 309.297 -0.061 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2sccc2-n2ccnn2)N1 862461414 OZACEOKMXMBOKC-ZETCQYMHSA-N 320.334 -0.632 50 20 DBGD Cc1ccnn1CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 863853713 CPWJYBQIIUXVRI-CHWSQXEVSA-N 323.397 -0.162 50 20 DBGD O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(B(O)O)c1 863878144 LSWDMERKXPVDSR-KGLIPLIRSA-N 317.150 -0.423 50 20 DBGD CN(C)S(=O)(=O)CCS(=O)(=O)N1CC=C(C#N)CC1 882051834 YDLDOTHPGYXBSD-UHFFFAOYSA-N 307.397 -0.637 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1=O 1255111266 RLHNPFPBZGTHDY-SECBINFHSA-N 305.338 -0.472 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OCC2CC2)nc1 1318882216 JMQKMYNZNNWUDH-UHFFFAOYSA-N 322.321 -0.126 50 20 DBGD CNC(=O)NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 1319341638 NTCZKQCMKJIRCW-CYBMUJFWSA-N 305.294 -0.685 50 20 DBGD CC(=O)Nc1nc(C)c(S(=O)(=O)NNC(=O)N(C)C)s1 1322381375 QKDAPJUCSNOBFB-UHFFFAOYSA-N 321.384 -0.126 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)cn1 1322957851 OQNJFFOOXWHNNI-UHFFFAOYSA-N 323.334 -0.858 50 20 DBGD COCCC[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1337363220 DKMZNKHCUNARFI-VHSXEESVSA-N 306.384 -0.369 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)nc1 1339286399 DKAYHPLUGKLACU-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD COC[C@@H]1COCCN1C(=O)NNC(=O)c1cccc(F)n1 1341115898 ZIGRBOXXHKBOSQ-SECBINFHSA-N 312.301 -0.078 50 20 DBGD Nc1nnc(CC(=O)NNc2ccc(-c3nn[nH]n3)cn2)s1 1581911989 RLIIZDZSPRTLQA-UHFFFAOYSA-N 318.326 -0.619 50 20 DBGD COc1cccc(NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)n1 1594131802 NPCPAFVZCYMLQU-SECBINFHSA-N 322.321 -0.144 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNC(=O)C2CC2)n1 43308950 IYPKOURUDGRQNN-UHFFFAOYSA-N 322.369 -0.643 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)[nH]c(=O)n2C 110760635 VNRDHKGOJGLQBJ-UHFFFAOYSA-N 314.305 -0.027 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CSCC2=O)nc1 270386903 QZVODTAONNYMKN-UHFFFAOYSA-N 310.335 -0.156 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)ccc1O 273537330 WMHOPNREFQKNDN-LURJTMIESA-N 319.314 -0.770 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)[C@@H]1CCCCO1 295631285 SMHDQUZIZJREBB-JTQLQIEISA-N 319.321 -0.788 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(CNS(C)(=O)=O)o1 496923278 UJUUGZIRWSHSLR-UHFFFAOYSA-N 305.312 -0.328 50 20 DBGD O=C(NCCn1cnnc1C1CC1)c1cc(B(O)O)ccc1F 584949130 PSJXSGJKIUSTNV-UHFFFAOYSA-N 318.117 -0.596 50 20 DBGD O=C(NC[C@@H](O)COCC1CC1)c1ccc(B(O)O)c(F)c1 584962754 QOTXXVHSIITIFT-LLVKDONJSA-N 311.118 -0.977 50 20 DBGD CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584979501 VUOIUOFSBZDYHN-CYBMUJFWSA-N 322.145 -0.508 50 20 DBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)N1CCCCC1=O 584979656 APXGEPHTLKTLFC-NSHDSACASA-N 304.155 -0.503 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C#N)cc1 746840142 PSLGMRXDYDJEOK-VIFPVBQESA-N 309.347 0.000 50 20 DBGD Cn1ccnc(NNC(=O)CNC(=O)Cc2ccccc2)c1=O 747938130 QMNHQUJNOKJGIQ-UHFFFAOYSA-N 315.333 -0.418 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)c1ccncc1 748697182 RGRKOCYXHNHHNU-UHFFFAOYSA-N 317.261 -0.387 50 20 DBGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CCC1 749991288 UICOURCTHDCYBY-LLVKDONJSA-N 324.362 -0.336 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NC2CC2)c(C)o1 751364544 YEAUOOAJHRNHRJ-UHFFFAOYSA-N 316.339 -0.397 50 20 DBGD CC(CN1C(=O)CCC1=O)=NNC(=O)CNC(=O)c1ccco1 754943783 MVEVOEJYIOQFKM-UHFFFAOYSA-N 320.305 -0.350 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CCSCC1 758036283 QAWUOQYVIZACAI-MRVPVSSYSA-N 323.440 -0.395 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)c1 764156339 CHNFOAGXQLYJGK-CQSZACIVSA-N 313.361 -0.291 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1OCC(F)F 764429564 UBRPDTUOKUEEEG-UHFFFAOYSA-N 317.248 -0.591 50 20 DBGD CC(=NNC(=O)CN1CCCC1=O)c1cc(C(N)=O)n(C)c1 767180164 LRCOHMNRDVLSJR-UHFFFAOYSA-N 305.338 -0.413 50 20 DBGD O=C(NNS(=O)(=O)CCC1CC1)[C@@H]1CCS(=O)(=O)C1 770632084 AILDOUCWVVJGRX-SECBINFHSA-N 310.397 -0.828 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(N)=O)cs1 772041336 JGLFFMZYEJOQPS-ZCFIWIBFSA-N 313.335 -0.050 50 20 DBGD CC[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(=O)OC 790639836 MMOYNPNUQCVVJN-ZCFIWIBFSA-N 308.298 -0.289 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)CC(C)(C)C 821154234 MMNWOQXSLDQKKR-DTWKUNHWSA-N 321.399 -0.435 50 20 DBGD CN(C)CCn1ccc(NC(=O)NNC(=O)c2cc[nH]n2)n1 821346329 YNMKLYGXNWBUJW-UHFFFAOYSA-N 306.330 -0.366 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1 830756901 HJGIQDGWZQIAOW-UHFFFAOYSA-N 317.327 -0.566 50 20 DBGD CC(=O)N1CCOC[C@H]1C(=O)NNc1ccc(C(=O)O)cn1 833392085 RHDHWZCNLLRZHM-JTQLQIEISA-N 308.294 -0.530 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C(=O)NCC(F)F 854386415 MTRDROYCALPNPK-UHFFFAOYSA-N 311.285 -0.696 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(CS(N)(=O)=O)cc1 854925714 LQDSTCCRSPMYNG-UHFFFAOYSA-N 316.408 -0.444 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)N1 862459220 PHQNPNHFOPKWTG-SSDOTTSWSA-N 305.281 -0.647 50 20 DBGD C[C@@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)N(C)C 877999079 NIZKMRZXFZOUPG-UTUOFQBUSA-N 300.403 -0.417 50 20 DBGD CS(=O)(=O)NC1CC(NS(=O)(=O)CCCCl)C1 882165026 WSNPDXIUKHPRNO-UHFFFAOYSA-N 304.821 -0.385 50 20 DBGD C[C@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C[C@@H]1Br 913366611 JOEJLLXJZUFPQI-JAKMQLQISA-N 312.185 -0.566 50 20 DBGD CC[C@@H](CO)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 916572145 VRFXMCOAOVGCJF-JTQLQIEISA-N 310.310 -0.284 50 20 DBGD Cc1cnccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1261253627 JNXKPFVHGLXCMA-VIFPVBQESA-N 312.351 -0.479 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1319077295 RYAICLARBKJSEE-QMMMGPOBSA-N 310.383 -0.334 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cc(C)no1 1319367796 LXWVGSYKCYQWDL-VIFPVBQESA-N 300.315 -0.135 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 1320244966 DZYLJRNSUDCRMY-UHFFFAOYSA-N 312.257 -0.360 50 20 DBGD COC(=O)C(C)(C)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1325964379 LITLUDXNEZDKOA-IUCAKERBSA-N 301.343 -0.059 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(C3OCCO3)cc2)N1 1337637890 UYEHTEFKJORCAZ-LLVKDONJSA-N 319.317 -0.228 50 20 DBGD COc1ccnc(NNC(=O)NCc2nnc3n2CCOC3)n1 1343548181 RZYWPHSIXNHBHN-UHFFFAOYSA-N 320.313 -0.567 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)CCS(C)(=O)=O 1345733182 NTNVFDSKGGJROA-KXUCPTDWSA-N 321.399 -0.435 50 20 DBGD O=C(NNC(=O)c1ncon1)c1ccc(F)c(-c2nn[nH]n2)c1 1582561487 IBKBRMVFWJXIGN-UHFFFAOYSA-N 318.228 -0.536 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cncc(C(=O)O)c1 1588843574 PXAFWNOHDLEIHX-UHFFFAOYSA-N 308.294 -0.088 50 20 DBGD COc1cc(-c2nn[nH]n2)ccc1NC(=O)NNC(=O)CO 1591492886 AMKMPLZAQIUTQO-UHFFFAOYSA-N 307.270 -0.980 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(F)c1C(=O)O 1593352871 IHMLJROGOYYNHL-ZCFIWIBFSA-N 319.314 -0.095 50 20 DBGD O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 1601555560 IIQFCZNUQDIHIO-LOKLDPHHSA-N 319.321 -0.080 50 20 DBGD O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1cc(B(O)O)ccc1F 1601578066 GJMZCCIGMXYBJZ-HUZBHQLSSA-N 321.113 -0.265 50 20 DBGD O=C(O)Cc1ccccc1CNC(=O)c1cccc(B(O)O)c1 1602146678 TZFPDNTXGXURAS-UHFFFAOYSA-N 313.118 -0.077 50 20 DBGD O=C(O)c1coc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 1602558643 CBXGUKXDEDXHNQ-UHFFFAOYSA-N 319.295 -0.787 50 20 DBGD CC(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843365842 OAVKCIMMSCVGPZ-JTQLQIEISA-N 305.737 -0.140 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CC(C)C)o1 32969582 FMWJHKKLAXZQDR-UHFFFAOYSA-N 303.340 -0.005 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CCC(=O)N1CCOCC1 263764073 DDPTTXYCDVFMLR-UHFFFAOYSA-N 308.338 -0.575 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 266347085 XEXRMVKLIGZVGR-QWHCGFSZSA-N 321.333 -0.696 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)Cc2ccccc2F)O1 280517772 MKEXOFFNHDHKJQ-WDEREUQCSA-N 309.297 -0.452 50 20 DBGD COC(=O)N(C)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 285770257 AEBUHNQWSNOUMM-UHFFFAOYSA-N 312.326 -0.030 50 20 DBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCO2)c1 293354844 LKOOQBJGBVJBOQ-LBPRGKRZSA-N 301.302 -0.067 50 20 DBGD CC(C)[C@](C)(NCC(=O)NNC(=O)c1ccccc1)C(N)=O 297787675 WPFFUXAQWBARGM-HNNXBMFYSA-N 306.366 -0.063 50 20 DBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cnn[nH]1 491206094 DXFCLCCWFMDAMB-UHFFFAOYSA-N 312.330 -0.129 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCN1C1CCOCC1 584913208 QXXSFKQABNUAGC-OAHLLOKOSA-N 318.182 -0.052 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN(C2CCC2)CC1 584946314 QLXGZVJVCZCLGP-UHFFFAOYSA-N 306.146 -0.184 50 20 DBGD CN(CCN1CCCC1=O)C(=O)c1ccc(B(O)O)c(F)c1 584946421 ZTRGGCKWBKERSR-UHFFFAOYSA-N 308.118 -0.800 50 20 DBGD O=C(NC1(c2nc[nH]n2)CCC1)c1ccc(B(O)O)c(F)c1 584979954 LTTLBHGTJUQGGC-UHFFFAOYSA-N 304.090 -0.567 50 20 DBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](O)C(F)F 584996182 ZVHRYVLJGWXYCT-NXEZZACHSA-N 305.061 -0.360 50 20 DBGD O=C(NCC[C@]1(O)CCCOC1)c1cc(B(O)O)ccc1F 585005069 WLPUTICNHRCSSL-CQSZACIVSA-N 311.118 -0.833 50 20 DBGD OC[C@@H](C[C@H](O)c1ccccc1)NCc1cccc(B(O)O)c1 585034751 NKSPJZULKLYWJQ-SJORKVTESA-N 315.178 -0.059 50 20 DBGD COC(=O)c1ccc(O)c(C=NNC(=O)C(=O)NC2CC2)c1 726737010 DPQBTHSBKTYVNM-UHFFFAOYSA-N 305.290 -0.093 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCS(=O)(=O)CC1 732211475 DFXDMTVMPMBBQS-NSHDSACASA-N 319.427 -0.311 50 20 DBGD COC[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 736967017 FEDBLYFRAOZJHA-MRVPVSSYSA-N 304.310 -0.090 50 20 DBGD CO[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744834993 HDISLIWTVYNQEK-SECBINFHSA-N 305.290 -0.103 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=S)NCC1CCC1 747523740 OGIOJSSYGOUMGX-MRVPVSSYSA-N 307.441 -0.038 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CS(C)(=O)=O 753260302 FDJPRHZXLWUSFB-SSDOTTSWSA-N 323.371 -0.908 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 764422167 VWQYTEZWFOVYLD-UHFFFAOYSA-N 322.321 -0.519 50 20 DBGD COc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1F 770771182 IKEXSZDRVODKCJ-UHFFFAOYSA-N 312.301 -0.518 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1=O 771964908 NOCRRQIARDXVNM-SNVBAGLBSA-N 319.317 -0.303 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC2(CCOCC2)O1 790368773 LCEHKNBJFRAAFV-LLVKDONJSA-N 311.382 -0.186 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)c(=O)n(C)c1=O 794953629 OTYPODNJSVFCHC-OTXQMUPVSA-N 303.318 -0.013 50 20 DBGD CC[S@@](=O)CC(=O)OCC(=O)NNC(=O)c1cccs1 803479631 ZXZCREKLAXYJRG-HXUWFJFHSA-N 318.376 -0.179 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)COc1ccccc1F 804868167 YKAAZSPKZCGXLL-UHFFFAOYSA-N 323.284 -0.825 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](C(=O)O)C[C@H]1C 814835003 DOEYKNKEPHDSBE-HRDYMLBCSA-N 319.383 -0.083 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 825505627 OFSGRDIJKWXMJQ-LLVKDONJSA-N 324.293 -0.299 50 20 DBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1=O 826063238 ZBSQVKIZJHSLOG-AXFHLTTASA-N 312.370 -0.249 50 20 DBGD O=C(CNC(=O)C1CC1)NNc1ccc(-c2nn[nH]n2)cc1 826411790 NQJQNIMHFVGWOV-UHFFFAOYSA-N 301.310 -0.164 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccnc(F)c1 826425699 PJBLUIVIILMMJW-UHFFFAOYSA-N 304.249 -0.864 50 20 DBGD CCC[C@@H](C(=O)NNc1nc(C)cc(OC)n1)S(N)(=O)=O 829487523 GUXPEPKHXQIPTB-QMMMGPOBSA-N 317.371 -0.306 50 20 DBGD NC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCCC1 841922244 DJGSFJNFZQPFAM-UHFFFAOYSA-N 311.386 -0.399 50 20 DBGD CO[C@H](CN)CC(=O)NNc1ccccc1S(C)(=O)=O 843437427 XAYKDRJTMQTXLU-VIFPVBQESA-N 301.368 -0.103 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)N1CCSCC1 843660928 LUNABZPQZUJCNM-DCAQKATOSA-N 301.412 -0.004 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC[C@]1(O)CCCOC1 845721433 CSSYJFBYSNCHHJ-COPLHBTASA-N 315.370 -0.327 50 20 DBGD O=C(NNc1nc2ccccn2n1)[C@@H]1CCCS(=O)(=O)C1 846003947 VTQDPVHOPPCZMA-SECBINFHSA-N 309.351 -0.003 50 20 DBGD CC(C)COCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858124242 QHQDGIZYPPLLFS-JTQLQIEISA-N 300.359 -0.342 50 20 DBGD COCc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858136044 FWLMOZAMJYUXRU-LBPRGKRZSA-N 320.349 -0.058 50 20 DBGD CCN(Cc1ccccn1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858697993 VSSSJCPONCUXBD-NSHDSACASA-N 305.338 -0.077 50 20 DBGD C[C@H](NNC(=O)c1cc(S(N)(=O)=O)cn1C)C(F)(F)F 862307105 SYZWXKLUQUEMIQ-YFKPBYRVSA-N 314.289 -0.142 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCc3ccccc3O2)N1 862458897 GCWILUGGQZWIHF-JQWIXIFHSA-N 303.318 -0.194 50 20 DBGD CCCC(O)(CCC)CC(=O)NNC(=O)CS(C)(=O)=O 863462704 WGQHBMPTJXSWSK-UHFFFAOYSA-N 308.400 -0.100 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CCCNC1=O 864493198 XAXUYWJYHFRFSL-NSHDSACASA-N 309.297 -0.122 50 20 DBGD CN(C)c1ccnc(C(=O)NNC(=O)CN2CCCC2=O)c1 913730845 LFYMPGFGYCXNIG-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD NC(=O)C(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2 917531994 KVRSZOGDJRCZGW-UHFFFAOYSA-N 301.262 -0.259 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1 1254785282 RBQBDDLPDKQLRZ-WDEREUQCSA-N 311.342 -0.442 50 20 DBGD CCc1[nH]ccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1257418388 DJTCHHOXTIDYAW-QMMMGPOBSA-N 314.367 -0.292 50 20 DBGD CN(C)N(C(=O)CCN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1318457941 AABYCGIHOULDAR-LLVKDONJSA-N 317.411 -0.509 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccnc(-n2cncn2)c1 1322556071 USUDJKJVGBGYDT-UHFFFAOYSA-N 303.351 -0.043 50 20 DBGD C[C@H](Cc1ccncc1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331521898 UNMHNXCHZRYVMV-KOLCDFICSA-N 305.338 -0.378 50 20 DBGD O=C(NNC(=O)C(=O)c1ccc2c(c1)CCC2)C(=O)NC1CC1 1338089843 UGRZLFUZOOOIKG-UHFFFAOYSA-N 315.329 -0.216 50 20 DBGD CCOCc1nc(C)cc(NNC(=O)[C@H]2CNCCN2C)n1 1578126751 BVTQLTQVWWWZRF-LLVKDONJSA-N 308.386 -0.332 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2CN)c1O 1579260213 UPXKLYFILSNOGX-GZMMTYOYSA-N 309.322 -0.474 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(=O)O)c1F 1589150605 XSVBNRBFBASMTJ-UHFFFAOYSA-N 301.205 -0.231 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1605511208 BBCSBCYIUKVMFL-SECBINFHSA-N 322.321 -0.891 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(C(=O)O)cc1 1607367539 WSNDQHKSMSCPBT-UHFFFAOYSA-N 300.292 -0.810 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1sccc1-c1nn[nH]n1 1609558283 ZDNSKDVERWEPRD-UHFFFAOYSA-N 321.322 -0.576 50 20 DBGD O=C(C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2)C1CC1 1841304337 LBZVETWLUMZBET-SNVBAGLBSA-N 314.769 -0.231 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)NC1CC1 10213549 JHQTYHGFWJZRGP-VIFPVBQESA-N 322.365 -0.797 50 20 DBGD C=CCNC(=S)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 41961572 LKGPHHCFTMFJAO-NXEZZACHSA-N 324.406 -0.157 50 20 DBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 282977982 NCZKXNUDDSZCBP-KWQFWETISA-N 307.306 -0.515 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 366845920 FBPBFBOFZSARDS-GMTAPVOTSA-N 322.365 -0.447 50 20 DBGD C[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)CN(C)C 495778644 ANEJXSMBDMUNGZ-SECBINFHSA-N 302.375 -0.144 50 20 DBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584959161 YUUWEJWQGLUJBR-XPTSAGLGSA-N 306.146 -0.282 50 20 DBGD CC[C@H]1CN(CCNC(=O)c2cc(B(O)O)ccc2F)CCO1 584981118 CGOFGGAHMVUANF-LBPRGKRZSA-N 324.161 -0.654 50 20 DBGD CN1CCN(CCNC(=O)c2cccc(B(O)O)c2)CC1(C)C 584984940 DYJPDBMSALIBQT-UHFFFAOYSA-N 319.214 -0.878 50 20 DBGD CC(C)[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1nncn1C 584988053 BVMXEZBTAUKQOD-GFCCVEGCSA-N 302.143 -0.378 50 20 DBGD CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1 585027585 BRHPYMXVKJIZRN-KGLIPLIRSA-N 311.212 -0.188 50 20 DBGD C[C@@H](CCS(C)(=O)=O)NCc1ccc(B(O)O)cc1F 585031104 QRZFVUMDYLTCQE-VIFPVBQESA-N 303.164 -0.582 50 20 DBGD O=S1(=O)C[C@@H](CNCc2ccc(B(O)O)o2)c2ccccc21 585043769 QVHHABRJBAGHCO-SNVBAGLBSA-N 321.163 -0.380 50 20 DBGD O=S1(=O)CC[C@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)C1 585049395 PGBZPMBIYJXLJN-SECBINFHSA-N 322.151 -0.606 50 20 DBGD OC[C@@H]1CCCN(c2cc(N3CC[C@H](B(O)O)C3)ncn2)C1 585072669 CZILZRGJVJRKNL-NEPJUHHUSA-N 306.175 -0.262 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)c(O)c1O 728435886 ATRZIYWDAWTZPM-LURJTMIESA-N 317.323 -0.809 50 20 DBGD CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)C(=O)N1CCCC1 736377323 ZNEJCYFLEJEVEX-MRVPVSSYSA-N 300.315 -0.952 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCNC(=O)O)C[C@@H](C)O1 736810171 OBWMMJJZYFKEJY-AOOOYVTPSA-N 316.358 -0.709 50 20 DBGD CCc1ccc(C(=O)NNC(=O)C2=NN3CCCN=C3N2)cc1 748013242 ORHGKSPJZNOYJJ-UHFFFAOYSA-N 314.349 -0.012 50 20 DBGD O=C(NCc1ncccc1F)NNC(=O)C(=O)N1CCCC1 752686762 KKWOLQIDSUGFPM-UHFFFAOYSA-N 309.301 -0.327 50 20 DBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccoc1 754199260 FMIOPWJAWUMSEH-UHFFFAOYSA-N 313.291 -0.097 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 760266034 YNEOLSKDJXPTRO-SNVBAGLBSA-N 321.333 -0.252 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cn1 762736255 GQTTZUFZUFHLPC-UHFFFAOYSA-N 320.330 -0.196 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 764081579 JUGOOZUYLWQUAF-MRVPVSSYSA-N 324.337 -0.056 50 20 DBGD CCNC(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 765119064 MJAAHKOOKHACAI-SECBINFHSA-N 316.358 -0.027 50 20 DBGD O=C(NNC(=O)C1(F)CCCC1)N[C@@H]1CCS(=O)(=O)C1 772377068 WRSIANBHBMWZBP-MRVPVSSYSA-N 307.347 -0.214 50 20 DBGD O=C(CN1CCN(c2ccc(F)cn2)CC1)NNC(=O)C1CC1 775560243 PTDYOVABRHEQJW-UHFFFAOYSA-N 321.356 -0.100 50 20 DBGD COC(=O)c1cccc(NNC(=O)NCc2nnn(C)n2)c1 787437097 NLEDKJPRZAQRAL-UHFFFAOYSA-N 305.298 -0.177 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccn(C)c(=O)c1 790063554 MGUVKAIVHAFORD-UHFFFAOYSA-N 311.338 -0.065 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@]2(CCCOC2)O1 796606079 BEWHTZMCBRWYOZ-XHDPSFHLSA-N 311.382 -0.186 50 20 DBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@H](C)NS(C)(=O)=O 811641663 KUWFFRPWOHAQSF-DTWKUNHWSA-N 304.372 -0.915 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)c2ccccc2F)n1 816813972 DFJOBHFENGIJCD-UHFFFAOYSA-N 319.300 -0.266 50 20 DBGD CCOC(=O)c1cnc(NC(=O)NNC(=O)c2cc[nH]n2)n1C 823310816 FWILGYYPHYNGQW-UHFFFAOYSA-N 321.297 -0.214 50 20 DBGD O=C(CN1CCCNC1=O)NNc1cccc(-c2nn[nH]n2)c1 826410443 NLQBKPDLGMTCQL-UHFFFAOYSA-N 316.325 -0.275 50 20 DBGD CCNC(=O)CN(CC)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 827315052 NFDBMCIVGNSDRA-UWVGGRQHSA-N 300.359 -0.390 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843651479 MZRDGAZAZJEWER-YUMQZZPRSA-N 310.310 -0.320 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)N1CCOCC1 843973945 JLWSCPJHXSJETF-GHMZBOCLSA-N 313.354 -0.802 50 20 DBGD O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)N1 845855804 UKJCSEUZLOXSTA-VIFPVBQESA-N 300.296 -0.270 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)Cn1nnc2c1CCCC2 847544526 LDFXJOVPWQGWNG-UHFFFAOYSA-N 314.349 -0.058 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H]2NC(=O)CC[C@@H]2C1 852497937 YBMXBTDNOLRQSG-GHMZBOCLSA-N 310.398 -0.220 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CN(C)CCO1 854282703 QTHAIHDKDMNIPL-SNVBAGLBSA-N 304.416 -0.809 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H](C)Sc1nnnn1C1CC1 854925918 PEQRFKJEDMMDML-ZCFIWIBFSA-N 315.428 -0.044 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 854929710 OWQLLORIEZURPO-OINDSLJFSA-N 322.390 -0.739 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=S)NCC2CCC2)nn1 855091023 YPLUADWIHNTNRF-MRVPVSSYSA-N 312.399 -0.373 50 20 DBGD C[C@H]1CSCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858698761 AAQSKFZCOKWZSK-BDAKNGLRSA-N 300.384 -0.309 50 20 DBGD Cc1cc(O)cc2c1C(=O)C(=NNC(=O)CS(C)(=O)=O)O2 863187984 KVGNWOVVUDBCMO-UHFFFAOYSA-N 312.303 -0.250 50 20 DBGD Cc1csc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 863412947 OHLYMPOPZCVKNG-ZETCQYMHSA-N 303.365 -0.355 50 20 DBGD C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 912854743 QWPCACNQNYJARL-JOYOIKCWSA-N 316.317 -0.248 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C(F)(F)C1(O)CCCC1 913733108 VWUBBKWKDVRQMO-UHFFFAOYSA-N 319.308 -0.303 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(=O)n(C)n1 1116759814 PWJFFIWAEZHKMA-UHFFFAOYSA-N 312.326 -0.670 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(OC)c1 1255507762 DYCUSUOHHGCHGI-UHFFFAOYSA-N 313.241 -0.907 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1nnc(C)s1 1320203706 VMNCDVDYCPOYCI-ZETCQYMHSA-N 317.371 -0.272 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 1320349068 QHJRTKZJXVTXQO-UHFFFAOYSA-N 308.338 -0.267 50 20 DBGD O=C(NC[C@@H]1CCS(=O)(=O)C1)NNC(=O)C1CCCC1 1320935345 SKCXFFOKGUBZTQ-VIFPVBQESA-N 303.384 -0.058 50 20 DBGD COc1ccc(CC(=O)NNc2ccc(C(N)=O)nn2)nc1 1329097915 AXQBHGWFXMOXSI-UHFFFAOYSA-N 302.294 -0.335 50 20 DBGD COCCOCC(=O)NNC(=O)c1cn(C)nc1C(F)(F)F 1335740521 GDYNMDZZIUMJTP-UHFFFAOYSA-N 324.259 -0.137 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCN1)n1nnc(-c2ccccc2)n1 1575069637 OKJSMQGTYLOCSY-KOLCDFICSA-N 315.337 -0.590 50 20 DBGD CNC1CC(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 1578595141 NOUGSQZRNCUPJE-ZPPKWKGLSA-N 305.334 -0.028 50 20 DBGD CC[C@H](NC)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1843001528 YYLBBJHYWGGRLT-WDEREUQCSA-N 317.817 -0.213 50 20 DBGD CCOC(=O)/C(C#N)=C/NC[C@H]1CCN(S(C)(=O)=O)C1 269939357 DAUYHIHHBHENDZ-MXBGMFSPSA-N 301.368 -0.172 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 270887024 BSMNQZLDMHKVFB-UHFFFAOYSA-N 307.266 -0.443 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)c2ccccc2C1=O 272646455 FMLMOSMNKHQCJP-UHFFFAOYSA-N 304.306 -0.025 50 20 DBGD C[C@@H](O)CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 291167628 GQMWKAZVMCUORW-SECBINFHSA-N 310.310 -0.332 50 20 DBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C2CC2)cc1 298276073 NXJFZQKTGYDURC-UHFFFAOYSA-N 322.346 -0.606 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)(C)C)o1 298789250 CZOZDBLAFRJORJ-UHFFFAOYSA-N 303.340 -0.005 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1COCCN1C1CCCC1 368443035 RVEZIHWCDQKAOY-ZDUSSCGKSA-N 321.381 -0.257 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1[C@H](O)C(F)(F)F 584964672 JYSQJWNRNSNWHF-QWRGUYRKSA-N 317.072 -0.106 50 20 DBGD O=C1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@H](C2CC2)N1 584986788 AZATUHJRTJBZQT-JSGCOSHPSA-N 320.129 -0.708 50 20 DBGD CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1ccc(B(O)O)o1 585021437 KKZZXDDWXCGPSS-CQSZACIVSA-N 316.166 -0.252 50 20 DBGD CN1CC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)S1(=O)=O 585051745 MCNUPTGIAVYYIC-JTQLQIEISA-N 323.139 -0.877 50 20 DBGD COc1ccc(-c2cc(C(=O)NCB(O)O)n[nH]2)cc1OC 585059815 BMZQMRCCFDSRTF-UHFFFAOYSA-N 305.099 -0.164 50 20 DBGD Cc1cc(C(=O)NNC(=O)CN(C)C)ccc1N1CCNC1=O 733359963 ZPSMDFFKFGQJNJ-UHFFFAOYSA-N 319.365 -0.153 50 20 DBGD N#CCCN(CCN1CCOCC1)CC(=O)NNC(=O)C1CC1 746477937 IREQADKNUWFHBI-UHFFFAOYSA-N 323.397 -0.908 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 748847153 URSYFMLAGGQZBX-LURJTMIESA-N 319.243 -0.138 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNc1ncc(F)cn1)n1cccn1 762095514 HLVIHTIXPMYASJ-SECBINFHSA-N 321.316 -0.025 50 20 DBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1C#N 764421528 KZNXTTIGRFTPNM-UHFFFAOYSA-N 320.305 -0.576 50 20 DBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CC#N 771887138 BEERUFCSNAUQMC-UHFFFAOYSA-N 309.351 -0.037 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NN(C)C(N)=O 778415865 TZCYOQPHTCVHAC-SECBINFHSA-N 306.388 -0.378 50 20 DBGD COCCCNC(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 793200048 YEYUKOZMNQJMSV-UHFFFAOYSA-N 307.372 -0.679 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C[C@@H]2SC(=N)NC2=O)n1 794084502 FMHSPBUYQXEMOP-QMMMGPOBSA-N 307.335 -0.293 50 20 DBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)N2CCN(C)CC2)C1 807383774 MAQBHIBIMYIWEF-LLVKDONJSA-N 311.386 -0.767 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)Cc1ccc(Cl)cc1 807553805 YMJKSHGTRMUZRP-UHFFFAOYSA-N 323.740 -0.147 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NN(CC)CCO 823846147 CHSYDXKHVQKZPC-LBPRGKRZSA-N 321.443 -0.074 50 20 DBGD CSCCNC(=S)NNC(=O)c1cnc(C)nc1N 831575181 AFYYPQQQLZVXNC-UHFFFAOYSA-N 300.413 -0.161 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 843978910 ZDHDLMPWXUCDAP-BXKDBHETSA-N 321.333 -0.263 50 20 DBGD COC[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccs1 844402821 SEJRWRXHQIYKEK-NXEZZACHSA-N 313.379 -0.409 50 20 DBGD CCC[C@H](C(=O)NNC(=O)NCC(F)(F)F)S(N)(=O)=O 847114920 DUOQOWKORYHNOO-RXMQYKEDSA-N 320.293 -0.664 50 20 DBGD Cn1cnn(CCC(=O)NNc2ncccc2[N+](=O)[O-])c1=O 848372589 XKNHPHARRXKTJA-UHFFFAOYSA-N 307.270 -0.582 50 20 DBGD CC(=O)c1ncc(C(=O)NNC(=O)N2CCN(C)CC2)s1 854380962 AQQNFPISLZPAHD-UHFFFAOYSA-N 311.367 -0.053 50 20 DBGD C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858418275 KEQWCCRFZACAPF-UMNHJUIQSA-N 310.354 -0.423 50 20 DBGD CSC[C@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858695963 IQTUOIUATHMTOB-RKDXNWHRSA-N 300.384 -0.167 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1 862095936 RDPKCTIISJERNA-PSASIEDQSA-N 310.310 -0.758 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(N)c([N+](=O)[O-])c1 862455708 IYSYMKHGTDRPQO-QMMMGPOBSA-N 321.293 -0.475 50 20 DBGD CCOC(=O)c1cc(C=NNC(=O)CS(C)(=O)=O)[nH]n1 863184554 YWISQVLLNXFVHZ-UHFFFAOYSA-N 302.312 -0.919 50 20 DBGD COCCOCC(=O)NNC(=O)c1cccc(C(=O)N(C)C)c1 869909500 YJEPXFRFBQFUDN-UHFFFAOYSA-N 323.349 -0.188 50 20 DBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1CCC(=O)N1 900945082 LGLQIURIXLTVBI-MRVPVSSYSA-N 322.277 -0.600 50 20 DBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 929454744 VUWXJSKWBDNMQK-GHMZBOCLSA-N 317.411 -0.559 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)N(C)C)c1 1116199622 LFRMSHXYTKLIDR-UHFFFAOYSA-N 306.369 -0.428 50 20 DBGD C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)n1cncn1 1116751338 GXPFLUIPTUKQPB-ZJUUUORDSA-N 301.372 -0.669 50 20 DBGD Cn1c(Cl)cnc1C=NNC(=O)Cc1cc(O)nc(O)n1 1256576138 XWHDZSXTSYHABP-UHFFFAOYSA-N 310.701 -0.033 50 20 DBGD O=C(CCO)NNC(=O)Nc1cc(-n2cnnn2)ccc1F 1321215738 WUKXLWXNKVIMIS-UHFFFAOYSA-N 309.261 -0.664 50 20 DBGD CN(C)c1cccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1329756585 YUIIEPPMPJLZEO-JTQLQIEISA-N 320.353 -0.743 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1347932130 UKOPELGZMDAGAR-WRWORJQWSA-N 320.187 -0.520 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCN1)n1nnc(-c2ccccc2)n1 1575069635 OKJSMQGTYLOCSY-GXSJLCMTSA-N 315.337 -0.590 50 20 DBGD COc1cc(C#N)ccc1OCC(=O)NNC(=O)[C@H]1CCN1 1579138874 CWCPHLUCSULBLC-SNVBAGLBSA-N 304.306 -0.545 50 20 DBGD COc1ccc(COCC(=O)NNC(=O)C2CCNCC2)cn1 1579218217 ZTRDBNVQBZDFQD-UHFFFAOYSA-N 322.365 -0.246 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@]1(C)CNCCO1 1579872499 LUCMMXNCKJAKON-HNNXBMFYSA-N 317.349 -0.218 50 20 DBGD N#CCCC[C@@H](N)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 1580049245 LOFMOMVHKAUSEB-ZWNOBZJWSA-N 318.333 -0.005 50 20 DBGD COc1ccc(CN2CC[C@H](B(O)O)C2)cc1-c1nn[nH]n1 1605275183 UCFBRFGZODOOFU-JTQLQIEISA-N 303.131 -0.076 50 20 DBGD O=C(NNc1ncc(F)cn1)c1cnccc1-c1nn[nH]n1 1609559584 QULRSHFHJWBEKM-UHFFFAOYSA-N 301.245 -0.052 50 20 DBGD O=C(NCc1ccc(Cn2cccn2)cc1)NNC(=O)C(=O)O 1610697508 NIIYBTBCCZTLRL-UHFFFAOYSA-N 317.305 -0.154 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1 46595328 CGEGNFGIFUNKDY-JTQLQIEISA-N 313.335 -0.726 50 20 DBGD O=C(NNC(=O)c1cnc2nc(O)[nH]c(=O)c2c1)c1ccoc1 61484389 HMMZTACTFKCPGQ-UHFFFAOYSA-N 315.245 -0.309 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccn1 264067022 YLDJAHXSXYWLAR-ZETCQYMHSA-N 317.754 -0.069 50 20 DBGD C[C@@H]1OCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)[C@@H]1C 268907757 NJFISZOIGJLFQD-ZJUUUORDSA-N 324.337 -0.141 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)/C=C1/CC[C@@H](C)C1 273529797 UZXNSRZGRJGEFZ-GYDIXIQSSA-N 303.384 -0.182 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 276326034 XNWQHDWMIBYPDA-UHFFFAOYSA-N 300.336 -0.378 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCc3cnn(C)c3C2)CC1 287794607 LUGXZFLDUXNFAY-LLVKDONJSA-N 320.397 -0.487 50 20 DBGD CCNC(=O)N(C)NC(=O)CNS(=O)(=O)c1cccnc1 290266228 BJEFQDYYLPWQQI-UHFFFAOYSA-N 315.355 -0.948 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2nc(C)cc(OC)n2)O1 290395940 SDIIOSBKRHPQBR-DTWKUNHWSA-N 310.310 -0.043 50 20 DBGD CN(NC(=O)C(=O)N1CCN(c2ccccc2)CC1)C(N)=O 291997532 WPYYDLIHZBZODZ-UHFFFAOYSA-N 305.338 -0.623 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CS(C)(=O)=O 299010152 BOKKYQTXUTYDQP-QMMMGPOBSA-N 318.326 -0.215 50 20 DBGD COC(=O)c1sccc1S(=O)(=O)NNC(=O)N(C)C 299423930 IXTMNMHADYTHFL-UHFFFAOYSA-N 307.353 -0.001 50 20 DBGD C[C@@H](C(=O)NNc1cnccn1)N1C(=O)NC2(CCCC2)C1=O 371676293 UABNHPPZTPRLDS-VIFPVBQESA-N 318.337 0.173 50 20 DBGD CCOC(=O)NNC(=O)CC(C)CC(=O)NNC(=O)OCC 496134138 QKXCPLJTWPJFSW-UHFFFAOYSA-N 318.330 -0.043 50 20 DBGD COC[C@@H](C)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584946928 ATQKDSGKEYHRCX-LLVKDONJSA-N 324.161 -0.702 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)S1=O 584980978 PQSQOHRXDXKNPA-RKDXNWHRSA-N 313.159 -0.513 50 20 DBGD O=C(Cc1ccc(NCc2ccc(B(O)O)o2)cc1)NCCO 585013236 PCXKGZUSCOIJAH-UHFFFAOYSA-N 318.138 -0.778 50 20 DBGD COCCC(=O)N1CCC(NCc2ccc(B(O)O)cc2)CC1 585030159 FOHRHQWWHFLFKW-UHFFFAOYSA-N 320.198 -0.517 50 20 DBGD CC(C)NS(=O)(=O)c1cc(C(=O)NCB(O)O)ccc1F 585061786 GYDBEXJJWIQNIX-UHFFFAOYSA-N 318.135 -0.746 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)C2(C(N)=O)CC2)cc1 732264388 RBAKYTXCSAJAOQ-UHFFFAOYSA-N 306.322 -0.480 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ncccn2)c1 743304899 CASFAYHUQKMPKP-UHFFFAOYSA-N 320.330 -0.045 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 749866109 GKNHECXAASCOJW-JTQLQIEISA-N 312.351 -0.480 50 20 DBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758027991 BDRIFIXCFFEYDF-IUCAKERBSA-N 309.388 -0.867 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1ncncc1Cl 780988020 KZAWJKDZYGQJTP-UHFFFAOYSA-N 313.705 -0.692 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 816814090 HYHDAIFGVUIBOZ-LNLATYFQSA-N 319.317 -0.515 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNC(=O)c1ccccc1 816817261 XMFRNIFCZDZPGM-UHFFFAOYSA-N 314.367 -0.814 50 20 DBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1C1CC1 844477092 BKBBSKXWCQGVBH-NWDGAFQWSA-N 309.366 -0.325 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)Cc1ccccc1OC 845550480 SATIVNTUDAYHHJ-UHFFFAOYSA-N 324.337 -0.364 50 20 DBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1nnc(O)c2ccccc12 854204041 VZQQYICXUSPSIU-NSHDSACASA-N 302.290 -0.133 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C1(CO)CCOCC1 854286502 RFCPEBJOXGSBJY-UHFFFAOYSA-N 319.427 -0.351 50 20 DBGD C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)N1CCN(C)CC1 854381715 QREXTQMHFLSADD-LLVKDONJSA-N 308.386 -0.413 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(S(N)(=O)=O)cnc1C 854921113 IZTOWOQBCSTWHX-UHFFFAOYSA-N 317.396 -0.882 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnc1F 857572749 YHKXSBRFJYUPJA-QMMMGPOBSA-N 315.326 -0.275 50 20 DBGD CCOC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 858490477 IBXXIXZWLKDWFH-SNVBAGLBSA-N 312.370 -0.055 50 20 DBGD Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 858528583 DRRUFXDLSOAHRM-LLVKDONJSA-N 305.338 -0.458 50 20 DBGD CO[C@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1(C)C 858700506 NCHJYMQPXCGLGQ-ZJUUUORDSA-N 312.370 -0.247 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)Cc1ccncc1 858833895 TWLHOUOJFJRZMU-UHFFFAOYSA-N 310.310 -0.856 50 20 DBGD O=C(Cc1noc2ccccc12)NNC(=O)[C@@H]1CCC(=O)N1 862450644 YDYFRRIWAHZSOL-VIFPVBQESA-N 302.290 -0.204 50 20 DBGD O=C(CC1CCCCC1)NCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451818 AQEPWIBAYKOHHS-NSHDSACASA-N 324.381 -0.501 50 20 DBGD N#Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862453366 UGEDSSAUFXRXNJ-NSHDSACASA-N 301.306 -0.604 50 20 DBGD C[C@H](Sc1ccccn1)C(=O)NNC(=O)CS(C)(=O)=O 863462110 HBAMGBWSBQSGEU-QMMMGPOBSA-N 317.392 -0.246 50 20 DBGD O=C1NCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)O1 867653113 BVUXTZFTQBYNBX-UHFFFAOYSA-N 304.111 -0.919 50 20 DBGD COC(=O)N(C)NC(=O)NC1CCN(CCN(C)C)CC1 875057050 WPQVIUCEKJGQGZ-UHFFFAOYSA-N 301.391 -0.075 50 20 DBGD CN1CCCN(CCCNCc2ccc(B(O)O)cc2)CC1 894374589 CKAKAWCUAHIAOO-UHFFFAOYSA-N 305.231 -0.516 50 20 DBGD CC(C)(C(=O)NNC(=O)CN1CCNC(=O)C1)c1ccccc1 900635973 VWPJUAOTIPORGL-UHFFFAOYSA-N 318.377 -0.457 50 20 DBGD O=C(NN=Cc1cccc(O)c1O)N[C@H]1CCS(=O)(=O)C1 920380189 HUDSHXBLITUQBD-VIFPVBQESA-N 313.335 -0.082 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CSCC(=O)N1 929330114 CBWUIGDDHCBPBT-JTQLQIEISA-N 311.338 -0.253 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O 935564128 WCURARFHCWLLFR-GFCCVEGCSA-N 319.361 -0.047 50 20 DBGD CCc1nnc(O)c(C(=O)NNC(=O)C(=O)NC(C)C)c1CC 1116258787 MUCNVUBQYJNDKS-UHFFFAOYSA-N 323.353 -0.407 50 20 DBGD CC1(C)C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1320414062 ZFLVPHDPNJHPCJ-SNVBAGLBSA-N 312.370 -0.103 50 20 DBGD Cn1nncc1C(=O)NNc1nccc(N2CCOCC2)n1 1321165149 VBVYBQPPSAGWCY-UHFFFAOYSA-N 304.314 -0.801 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1328135366 SJLOJKBFQISKLU-MMWGEVLESA-N 312.370 -0.344 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1333347526 MZWWZSDTRKGEEP-NXEZZACHSA-N 308.400 -0.688 50 20 DBGD CCNC(=O)NNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1333418915 JYNYJLBOYKLZPN-QMMMGPOBSA-N 307.372 -0.681 50 20 DBGD CN1CCC(CN(C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1334929866 FMNSODAXANFNLD-LLVKDONJSA-N 311.386 -0.721 50 20 DBGD COC(=O)N1CCC(C(=O)NNc2ccc(C(N)=O)nn2)CC1 1347978340 NEYYSAJBBFUPIF-UHFFFAOYSA-N 322.325 -0.503 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(OCC(=O)O)cc2)nn1 1594530381 QEGZAAUMPSYYGY-UHFFFAOYSA-N 319.277 -0.647 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)O)cc1C 1609622335 PUBWCJXKPRDZOL-UHFFFAOYSA-N 309.278 -0.436 50 20 DBGD C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783914240 SUZHEXHBLAGUGH-BXUZGUMPSA-N 316.785 -0.008 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)CN1CCOCC1 163341898 WIVCTBXQBLHYHJ-NSHDSACASA-N 309.370 -0.073 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccnc(N3CCCC3)n2)cn1 265694089 AZBPZEWLVOZIRQ-UHFFFAOYSA-N 315.337 -0.115 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1O)C(C)C 266052098 YTGGPNWQFWOYGA-ZDUSSCGKSA-N 323.349 -0.060 50 20 DBGD COC(=O)N(C)CCCC(=O)NNc1ccc(C(N)=O)nn1 268242152 NDSJKAHERKNXQJ-UHFFFAOYSA-N 310.314 -0.503 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)C1CC1 298073932 QMYORZLOUDCVDI-GAIPPQHRSA-N 303.318 -0.649 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccco1 299590557 SUHZIYJEYOJVIT-MRVPVSSYSA-N 303.340 -0.703 50 20 DBGD CC(C)C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 494095877 YVSJTPHGSYOKHC-UHFFFAOYSA-N 316.358 -0.569 50 20 DBGD Cc1cc(=O)c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c[nH]1 494741028 BROAHKLBUDRPGO-UHFFFAOYSA-N 324.337 -0.031 50 20 DBGD C[C@@H](C(=O)Nc1cccc(B(O)O)c1)n1nnnc1C(C)(C)C 584914243 SZGZRPATKZDIRK-VIFPVBQESA-N 317.158 -0.150 50 20 DBGD Cn1cc(C[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)cn1 584956204 YLPWHWOYOUHRBP-GFCCVEGCSA-N 313.166 -0.195 50 20 DBGD CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584994135 YFOPGNYAEXHCNS-SNVBAGLBSA-N 308.118 -0.896 50 20 DBGD CC(C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N1CCCC1 585003846 RZKJEUVVBFMFMB-AWEZNQCLSA-N 318.182 -0.257 50 20 DBGD Nc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cc(Cl)n1 726771391 PAQVTZOFNYBQQI-UHFFFAOYSA-N 311.729 -0.299 50 20 DBGD O=C(CSCC(=O)N1CCOCC1)NNc1cccnn1 740927283 WIWLHQZSKOTTJD-UHFFFAOYSA-N 311.367 -0.488 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)NCc1ccco1 746839141 QYDNCMVVJPIJNW-MRVPVSSYSA-N 303.340 -0.209 50 20 DBGD O=C(NNC(=O)c1cnc[nH]1)c1csc(N2CCOCC2)n1 750866137 SRGLOJYEMHTAKH-UHFFFAOYSA-N 322.350 -0.222 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(N2CCOCC2)c(F)c1 756336596 XGLSVJSKVSBCQP-UHFFFAOYSA-N 312.301 -0.193 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2nnc(O)n2c1 762982701 YJLKVWFWRUOANI-UHFFFAOYSA-N 301.266 -0.459 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)nc1 775090747 YGWMSQOENZDDLC-UHFFFAOYSA-N 321.337 -0.457 50 20 DBGD CNC(=O)[C@H]1CCCN1CC(=O)NNC(=O)c1cccs1 777560141 QAQLXGGULSEFDE-SECBINFHSA-N 310.379 -0.281 50 20 DBGD COCC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 778539999 KYFOFXWYHNCDPE-UHFFFAOYSA-N 316.321 -0.150 50 20 DBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 786851195 OGCPHPLDEXPRNX-VHSXEESVSA-N 310.354 -0.952 50 20 DBGD NS(=O)(=O)c1ccc(NC(=O)NNC2=NCC(O)=C2)cc1 814968322 YSKJMBLHVMVTIH-UHFFFAOYSA-N 311.323 -0.186 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCC(=O)O)cc1 819100537 NIXXVNIUIQFKCN-UHFFFAOYSA-N 306.278 -0.258 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ccc(Cl)nn2)C1=O 823898755 NHFSCDQZCFKFDR-ZCFIWIBFSA-N 312.717 -0.097 50 20 DBGD C[C@H](CO)N(C)NC(=O)CN1CCN(c2ccccn2)CC1 823952820 UQYPRWIKXGBDBK-CYBMUJFWSA-N 307.398 -0.453 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC2CCC1CC2 825731296 DVVRVMGEFGZYKL-PMUOWJKOSA-N 317.411 -0.102 50 20 DBGD CNC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C)cc1 843773657 HRQOKCIBDMOXSX-UHFFFAOYSA-N 300.340 -0.766 50 20 DBGD C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ncccn1)CS2 843910775 ZHTBJWKYCQTENR-SDBXPKJASA-N 321.362 -0.308 50 20 DBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843976563 QPWGQAXIJFCZKX-GUBZILKMSA-N 309.322 -0.030 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H](CC(C)C)NC(C)=O 858782170 QBDRIFOSNVXXRE-LLVKDONJSA-N 302.375 -0.096 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc3c2OCCO3)N1 860495378 JJQAXGZSXAKZLW-VIFPVBQESA-N 320.305 -0.111 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc3c2COC3=O)N1 861123228 NRBKTIWIDALBQA-JTQLQIEISA-N 318.289 -0.212 50 20 DBGD O=C(CCC(=O)c1ccccn1)NNC(=O)[C@@H]1CCC(=O)N1 862462749 ZVZJNACXILCOKA-JTQLQIEISA-N 304.306 -0.530 50 20 DBGD CN(C)C(=O)O[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 863883676 JDUDINLBIKFRDX-LBPRGKRZSA-N 306.127 -0.721 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=S)NC(C)(C)C 899991945 HBBSUXYKFJGHPL-UHFFFAOYSA-N 311.429 -0.659 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cnn(CC2CC2)c1 913730375 SWJGONJLYVJPIH-UHFFFAOYSA-N 305.338 -0.324 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCn3ccnc32)n1 931523385 ROJTZVUEIMDOBN-UHFFFAOYSA-N 320.378 -0.142 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1 1116621206 VRKPNMDVEUVFNJ-UHFFFAOYSA-N 322.321 -0.314 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1118864756 IGGNHSUKMCXQNI-SGIHWFKDSA-N 319.383 -0.683 50 20 DBGD CN(C)C(=O)c1ccc(C=NNC(=O)CN2CCCC2=O)[nH]1 1318980830 BQLIDMIYORNDKS-UHFFFAOYSA-N 305.338 -0.211 50 20 DBGD COC(=O)c1c(F)cc(NC(=O)C(=O)NNC(C)=O)cc1F 1321796623 DGFHLGHVBBTTSB-UHFFFAOYSA-N 315.232 -0.143 50 20 DBGD O=C(Cn1cc(Cl)cn1)NNC(=O)C(=O)Nc1ccccn1 1324046124 LMNGMSUUMJFKMU-UHFFFAOYSA-N 322.712 -0.282 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nc2ncccn2n1 1326297835 DHLZUEMWKQOJME-IUCAKERBSA-N 319.325 -0.620 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)CO1 1329272481 JRDZRLWMTKMPFS-BDAKNGLRSA-N 307.310 -0.472 50 20 DBGD CN1CCN(C2CCN(CC(=O)NNC(=O)C3CC3)CC2)CC1 1333052774 DROANPYTABPJEQ-UHFFFAOYSA-N 323.441 -0.744 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1cccc(C#N)c1 1345895752 ZFMYDMJMOXXHJZ-RISCZKNCSA-N 313.361 -0.292 50 20 DBGD O=C(NNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cn[nH]c1 1351352254 ISFUFFITAZSTTC-VIFPVBQESA-N 308.298 -0.709 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cn(C)nn1)[C@@H](N)c1ccccc1 1575072305 TYBUVXHZKMHWTC-JOYOIKCWSA-N 302.338 -0.088 50 20 DBGD NC[C@]1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCOC1 1580235874 FRRMLTMLHPSJCP-OAHLLOKOSA-N 321.381 -0.195 50 20 DBGD O=C1C[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CN1 1593385498 LCISQINXJLXAGW-MRVPVSSYSA-N 316.325 -0.371 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1cccc(-c2nn[nH]n2)c1 1603335727 VJEBAPBGJBPGSA-UHFFFAOYSA-N 301.310 -0.159 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCSCC(=O)O 1604833180 BBEGZLAXBJAIEY-HTQZYQBOSA-N 305.356 -0.440 50 20 DBGD C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)N(C)C 1609134194 ANKBQXXHHFIMTJ-MRVPVSSYSA-N 319.325 -0.064 50 20 DBGD CNC(=O)/C(C#N)=C\c1ccc(S(=O)(=O)NCC(=O)O)cc1 1776125360 GIDHIXSRLLPUPJ-POHAHGRESA-N 323.330 -0.298 50 20 DBGD NC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(Cl)Cl)C2 1796783709 TXRMIPDDWWRYAA-KZVJFYERSA-N 323.224 -0.286 50 20 DBGD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)CN1 1845997881 OVQYTENVHUCVFQ-SCZZXKLOSA-N 317.748 -0.140 50 20 DBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cn2nc(C)cc2C)C1 8300891 WBAJALWTGBYUOA-CYBMUJFWSA-N 321.381 -0.094 50 20 DBGD CC(C)CN(CC(N)=O)CC(=O)NNC(=O)c1ccccc1 182033389 OBUNAYYYZPROGB-UHFFFAOYSA-N 306.366 -0.109 50 20 DBGD Cn1cccc1C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 266040883 POGPEPFDRGPQGF-UHFFFAOYSA-N 302.356 -0.886 50 20 DBGD CO[C@H](C(=O)NNC(=S)NCCSC)c1cnn(C)c1 282318539 MEZKBRGSBDBVQW-VIFPVBQESA-N 317.440 -0.034 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1F 495447300 FJGMMLHBGVDBOL-UHFFFAOYSA-N 313.241 -0.062 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCOC1 584982938 LKSVTQGGTNYLQB-LLVKDONJSA-N 311.118 -0.617 50 20 DBGD O=C(NCCOc1cccnc1)NNC(=O)C(=O)NC1CC1 734067051 GFWNYERZYCNENT-UHFFFAOYSA-N 307.310 -0.931 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O 768772056 XPSWQXVHPMSYNR-JOYOIKCWSA-N 322.321 -0.332 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1c(O)cccc1O 770408057 IBHYUQKADSNEEN-UHFFFAOYSA-N 319.273 -0.118 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)S(C)(=O)=O 772024728 UUOKUGTZESKMCF-BDAKNGLRSA-N 322.383 -0.455 50 20 DBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 777136758 AMDBKBKAEZJISH-RKDXNWHRSA-N 322.431 -0.762 50 20 DBGD CN(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(N)=O 778416599 FDCCTEBIDCRDHL-UHFFFAOYSA-N 312.351 -0.217 50 20 DBGD CN1CCN(CC(=O)NN=c2cc[nH]c3ccccc23)CC1=O 781925415 UKCCOBPHOJVTOD-UHFFFAOYSA-N 313.361 -0.126 50 20 DBGD NS(=O)(=O)c1ccccc1NNC(=O)Cn1ccccc1=O 788230599 RIWCYOMVBJUHRY-UHFFFAOYSA-N 322.346 -0.361 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)n1 799388600 VZCGWMSJDIBJEC-GZMMTYOYSA-N 305.338 -0.141 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](CO)[C@H](O)C2)c1 808752030 UVBOSMUSOQDDGR-ZIAGYGMSSA-N 321.377 -0.569 50 20 DBGD CCn1c(O)nc2cc(C(=O)NNc3nc[nH]n3)ccc2c1=O 816631628 YCFQPQIGHOLXSM-UHFFFAOYSA-N 315.293 -0.003 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCO1 827287689 GJMJQFFITISTDE-OUAUKWLOSA-N 301.343 -0.501 50 20 DBGD O=C(O)CSCCNC(=O)NNC(=O)Cc1ccncc1 833261787 MAOWGNQPBGJCJO-UHFFFAOYSA-N 312.351 -0.228 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 840237574 MQJOIKVSZMJKPH-GHMZBOCLSA-N 304.262 -0.250 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 854927209 YTHJCCVDOXIACT-LBPRGKRZSA-N 313.383 -0.826 50 20 DBGD CNC(=S)N(C)NC(=O)CCn1nnc2ccccc2c1=O 854927813 IKELMXXUVTXSBK-UHFFFAOYSA-N 320.378 -0.351 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CCSCC2)N1 858696773 NFSHCOHYOGKWBZ-SECBINFHSA-N 300.384 -0.261 50 20 DBGD CC(C)Oc1ncccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461673 LYQYBFZXJNQXST-JTQLQIEISA-N 306.322 -0.092 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2scc3c2OCCO3)N1 862464234 VOLOYGGWRRPRIA-ZCFIWIBFSA-N 311.319 -0.441 50 20 DBGD Cc1csc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)c1 862475505 NCRGRZRGMLMPMP-UHFFFAOYSA-N 310.335 -0.288 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)c2cc(C)cs2)nn1 862478833 SHFFIIJUHQCVEB-UHFFFAOYSA-N 323.334 -0.104 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CNc1ccccc1Cl 863459969 KREPUOSZAHJWBC-UHFFFAOYSA-N 319.770 -0.056 50 20 DBGD Cc1ccc(-c2nnn(CC(=O)NN(C)C[C@@H](C)O)n2)cc1 910177370 LEKVQLZYIYNIKA-LLVKDONJSA-N 304.354 -0.008 50 20 DBGD C[C@@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C[C@H]1Br 913366612 JOEJLLXJZUFPQI-JXOAFFINSA-N 312.185 -0.566 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccn(C(F)F)n1 913732234 NIYKTLIFPXZUGW-UHFFFAOYSA-N 301.253 -0.338 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCO[C@H]1CCOC1 927532214 WBEQGMLKOOLRFL-DCAQKATOSA-N 301.343 -0.453 50 20 DBGD CO[C@@]1(CNC(=O)NNC(=O)C2CCOCC2)CCOC1 1119290343 SFPXDXWDAGLSOB-CYBMUJFWSA-N 301.343 -0.451 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CN1 1317913811 RLJQREMBIDRJFV-QMMMGPOBSA-N 305.338 -0.424 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CN(C)CCO1 1324115256 UXZRTPIMHVEUGM-ONGXEEELSA-N 310.358 -0.917 50 20 DBGD COc1ccc(C(=O)NNC(=O)NC[C@@H]2COCCN2)cc1 1329054070 JVGCVKBULBDMBC-LLVKDONJSA-N 308.338 -0.372 50 20 DBGD CN(CCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 1329175243 OVCHWUULHVQMMR-NSHDSACASA-N 311.386 -0.530 50 20 DBGD CNC(=S)N(C)NC(=O)CCC[C@]1(C)NC(=O)NC1=O 1329335215 YCYPHQNXPAWCQZ-NSHDSACASA-N 301.372 -0.778 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1nc(C)no1 1330902443 NGVVSROSTRXHTB-SSDOTTSWSA-N 301.303 -0.740 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)C1(O)CCOCC1 1341914183 GUHBSWBJHFMKNE-UHFFFAOYSA-N 304.310 -0.353 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)N1CCN(C)CC1 1349881498 PNMISVJVKUWMNJ-LLVKDONJSA-N 308.386 -0.405 50 20 DBGD CN(C)C(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCN2)c1 1578402842 ASTBOGHHTLUAPF-NSHDSACASA-N 305.338 -0.097 50 20 DBGD N#C[C@H]1CNCC12CC(C(=O)NNC(=O)c1cnsn1)C2 1580044303 ZTPUMWJBKXMCCT-XIGTVVQJSA-N 306.351 -0.562 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)n1)c1cccnn1 1582561772 UOUSBJPTXLEABP-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)C(=O)O)C1 1589056928 KJIGLPMNHLVERJ-IVZWLZJFSA-N 312.326 -0.952 50 20 DBGD O=C(NNc1cccc(C(=O)O)c1)C1=NN(CCO)C(=O)CC1 1601559705 YMDHAPLAQFUUCE-UHFFFAOYSA-N 320.305 -0.201 50 20 DBGD O=C(O)c1coc(CNC(=O)c2cc(B(O)O)ccc2F)n1 1602554444 JEIHEDSDVIYOBN-UHFFFAOYSA-N 308.030 -0.878 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCSCC(=O)O 1604833194 BBEGZLAXBJAIEY-JGVFFNPUSA-N 305.356 -0.440 50 20 DBGD C[C@H](CBr)CN1CCN(S(N)(=O)=O)CC1 133771791 URBFVZOQFUMFCO-MRVPVSSYSA-N 300.222 -0.162 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H]1C(N)=O 178369406 HSIJGKKPRKIKFL-ZDUSSCGKSA-N 318.377 -0.365 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)n1 272573125 DEONQKFUPOVNMB-KCJUWKMLSA-N 323.353 -0.488 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1COCCN1CC(F)F 279104816 BBMOMAGVLJSUMQ-QMMMGPOBSA-N 317.296 -0.106 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 282380504 CVUCPOXNSFURRY-UHFFFAOYSA-N 322.321 -0.173 50 20 DBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)CO 367917660 UCDMOTVNNXUWIL-VIFPVBQESA-N 317.342 -0.848 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)N1CCOCC1 374249296 FXYQCNVZLUBAOS-JTQLQIEISA-N 307.354 -0.087 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CC(=O)N(C2CCCC2)C1 377470464 TXODZQUBAHEJFB-NSHDSACASA-N 324.381 -0.150 50 20 DBGD COC(=O)[C@@H](O)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C 490813045 NQNNCEBHMXWGJD-KPVYPLCOSA-N 316.317 -0.238 50 20 DBGD CC(=O)NCC[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584989303 BKSBLPOWTMNLOA-CYBMUJFWSA-N 318.182 -0.255 50 20 DBGD Cc1nc([C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)n[nH]1 584998480 ADEDLFPJMSVKFE-LLVKDONJSA-N 300.127 -0.577 50 20 DBGD C[C@H]1CN(CCNC(=O)c2cccc(B(O)O)c2)[C@H](C)CO1 585005620 CYFJIGQRHQJAQC-NEPJUHHUSA-N 306.171 -0.795 50 20 DBGD O=S1(=O)CC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585049751 VPWAHQHOKDWIRS-SECBINFHSA-N 308.124 -0.682 50 20 DBGD CN1CC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)S1(=O)=O 585051746 MCNUPTGIAVYYIC-SNVBAGLBSA-N 323.139 -0.877 50 20 DBGD O=C(O)NCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 739938756 ZHNCXZQARYGMOV-UHFFFAOYSA-N 309.278 -0.124 50 20 DBGD CCOCC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744495395 IUJZLWMASBPVQN-UHFFFAOYSA-N 305.290 -0.101 50 20 DBGD COCCOc1ncccc1C(=O)NNC(=O)N1CCOCC1 745995831 DUPHUQIBKFEWHU-UHFFFAOYSA-N 324.337 -0.207 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1ccccn1 746091651 HDPHBOAMAPSPJG-UHFFFAOYSA-N 314.367 -0.486 50 20 DBGD O=C(CO)NNC(=O)COc1cccc(NC(=O)C2CC2)c1 753440110 XBYOSXLASMYNLX-UHFFFAOYSA-N 307.306 -0.446 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 758372846 WRAVOSKEBAILGY-UHFFFAOYSA-N 305.254 -0.322 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC(=O)N[C@@H]2CCCC[C@@H]21 758775491 VNAMJKFVLCMXSE-MNOVXSKESA-N 310.398 -0.077 50 20 DBGD CCOC(=O)/C(C#N)=C/NNC(=O)CNC(=O)c1cccnc1 763109030 QXCOJCTUCWYYGP-DHZHZOJOSA-N 317.305 -0.597 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CN3CCCN2CC3)nc1 765251036 WEBOUXULXVUWLE-LBPRGKRZSA-N 319.365 -0.299 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)N(CCC#N)CCOC 800111759 QHJXVQOINBHMIT-UHFFFAOYSA-N 307.376 -0.741 50 20 DBGD C#Cc1ccccc1CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 810346860 ZIIHRVSZJLOIOH-JTQLQIEISA-N 323.374 -0.705 50 20 DBGD Cc1cc(Cl)cnc1NC(=O)C(=O)NNC(=O)CN(C)C 812980488 RXQJHEFPQPNDAV-UHFFFAOYSA-N 313.745 -0.309 50 20 DBGD Cn1cncc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 813368062 UVLLNFRARDBTKQ-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 825923183 RZQHMVLTBKIMMK-ZJUUUORDSA-N 306.278 -0.478 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)nn1 833086079 HGHJLCCTYBXSTL-HTQZYQBOSA-N 307.310 -0.090 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](CN)C1CCCC1 841985128 JVJQUWUCLOUJHF-JQWIXIFHSA-N 316.402 -0.114 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CCC1)N[C@@H]1CCS(=O)(=O)C1 845273752 AFWNGJDURGZZER-OUAUKWLOSA-N 315.395 -0.060 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)nc2ccccc2c1=O 847493381 SEVMVEWSMIGYDO-DTWKUNHWSA-N 315.333 -0.112 50 20 DBGD COC[C@H](OC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 850202394 WWPDKQGWRYDUSJ-UWVGGRQHSA-N 304.343 -0.227 50 20 DBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)C(=O)NC(C)C 854291436 ZKCGZZYFYDYDIG-LLVKDONJSA-N 314.386 -0.401 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1F 861946481 FQMCFEKMOVBDDW-JTQLQIEISA-N 322.296 -0.501 50 20 DBGD Cc1nc([C@@H]2COCCN2C(=O)c2ccc(B(O)O)cc2)no1 863878140 LSTMHFKIPAUSAZ-LBPRGKRZSA-N 317.110 -0.728 50 20 DBGD O=C(NNC(=O)c1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1 919886292 SOSZSBFJDLVVEB-JTQLQIEISA-N 315.326 -0.043 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)n1ccnc1 1251469041 XTAKGNBUPPUEGC-VIFPVBQESA-N 305.294 -0.386 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncoc2C(F)(F)F)N1 1261830436 WTVHWSZNYZTSRG-SCSAIBSYSA-N 306.200 -0.267 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(C#N)c1 1317729266 CXMIRFWLNGNYIA-UHFFFAOYSA-N 310.335 -0.608 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1nc2cccnc2[nH]1 1318963519 XGENMWLGPDYWFS-UHFFFAOYSA-N 318.337 -0.438 50 20 DBGD COCCCNC(=O)NNC(=O)COCc1nnc(C)s1 1321880957 ZYVINWGAFJMGIG-UHFFFAOYSA-N 317.371 -0.270 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326005427 JXLKZJGFZFZYGM-LPEHRKFASA-N 321.399 -0.435 50 20 DBGD CNCCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1329574078 XIQCWHBHPHOEGO-GZMMTYOYSA-N 306.204 -0.046 50 20 DBGD O=C(NNC(=O)c1cccnn1)N[C@H]1CCN(CC2CC2)C1 1330832544 RITRCHVHRDGEIC-NSHDSACASA-N 304.354 -0.095 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)[C@@H](N)CC(=O)OC)cc1 1578820863 MBGMRDYESRUUKQ-NSHDSACASA-N 309.322 -0.264 50 20 DBGD CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2CCO[C@H]2CN)cc1 1579351693 QGJAHSTUPUGAOJ-NEPJUHHUSA-N 313.379 -0.103 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)c1cnn([C@H]2CCCNC2)c1 1580737276 NCFOXWASHKVXOD-JTQLQIEISA-N 303.326 -0.395 50 20 DBGD Cc1nn(C)c2cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc12 1600774810 BOAHGAXPXPKLQO-UHFFFAOYSA-N 319.277 -0.948 50 20 DBGD O=C(O)COCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 1602078144 BCPNEOISTNAJJL-SNVBAGLBSA-N 310.262 -0.925 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc(C(=O)O)cc2)N1 1602639096 XXDMEPIXLZRGSM-SNVBAGLBSA-N 320.305 -0.506 50 20 DBGD CN(C)C[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C(=O)O 1606016300 DSGKHFPWMNYBIA-LLVKDONJSA-N 308.338 -0.426 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2ccc(C(=O)O)c(F)c2)C1=O 1606196224 FRKKLRXUWLDOHM-UHFFFAOYSA-N 324.268 -0.139 50 20 DBGD NC(=O)c1c[nH]c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1 1606426040 NAZGMMTYDXPXFZ-UHFFFAOYSA-N 313.281 -0.554 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(C(=O)O)nc1 1610608084 ANYSUSNIHRIPLU-UHFFFAOYSA-N 324.318 -0.258 50 20 DBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)O)C2 1846364863 NNWRVQCMMZGXNP-UWVGGRQHSA-N 304.774 -0.176 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 10213859 MHCRHYZYCZDMTD-SECBINFHSA-N 313.335 -0.714 50 20 DBGD CN(C)S(=O)(=O)CCNS(=O)(=O)CCCCCl 231025173 NGCCHUNPUJCNOF-UHFFFAOYSA-N 306.837 -0.184 50 20 DBGD CN(CC(=O)NNC(=O)CNc1ccccc1)S(C)(=O)=O 264185102 BOJCSTSGCUAORR-UHFFFAOYSA-N 314.367 -0.863 50 20 DBGD O=C(NCC(=O)N1CCOCC1)NNc1cncc(Cl)n1 271902667 LGBFYUYHUWEFRK-UHFFFAOYSA-N 314.733 -0.385 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(F)n1 274401435 YZPWWUHJRKIRQC-ZCFIWIBFSA-N 319.318 -0.689 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1F 275716069 TVOLZNIZGWSSNS-UHFFFAOYSA-N 312.301 -0.518 50 20 DBGD CNC(=O)NNC(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC 277647832 FEKBUKUSEBKSTL-QMMMGPOBSA-N 304.347 -0.124 50 20 DBGD CCN(C)S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 494539222 MJTGREHSAAYFCD-UHFFFAOYSA-N 310.376 -0.672 50 20 DBGD NC(=O)NC[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 584937397 CKGYAOVUWBPBRH-SNVBAGLBSA-N 323.133 -0.832 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 584964671 JYSQJWNRNSNWHF-MNOVXSKESA-N 317.072 -0.106 50 20 DBGD CNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584965631 UBYYKUBCCJPHIL-GXFFZTMASA-N 322.145 -0.460 50 20 DBGD CN1CC[C@@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)[C@@H]2C1 584972219 QHDWUZPIFVMNGZ-QMTHXVAHSA-N 306.146 -0.328 50 20 DBGD O=C(N[C@@H]1CCn2ccnc2C1)c1cc(B(O)O)ccc1F 584973363 GWJSTQGUYDLZJL-SNVBAGLBSA-N 303.102 -0.553 50 20 DBGD CCO[C@H]1C[C@](CO)(NC(=O)c2ccc(B(O)O)cc2)C1(C)C 584979290 PMMDLXPUFGXZLY-XJKSGUPXSA-N 321.182 -0.338 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@]2(CCCOC2)O1 584981871 BKSOKHJRSZSSIY-LRDDRELGSA-N 319.166 -0.224 50 20 DBGD CC1CCN(C[C@H](O)CNCc2ccc(B(O)O)cc2F)CC1 585021444 KTGDFUIBVRLCBW-OAHLLOKOSA-N 324.205 -0.312 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)Cc2cccnc2)cn1 728855690 ACMZKKOHXOVORG-UHFFFAOYSA-N 309.351 -0.150 50 20 DBGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1 733348197 NAYQHBDUOQUNNU-SECBINFHSA-N 320.415 -0.213 50 20 DBGD O=C(COCc1ccccc1)NNS(=O)(=O)c1cn[nH]c1 737756511 PIEFZTKJLNGAJZ-UHFFFAOYSA-N 310.335 -0.064 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)N1CCOCC1 745730535 UXQZJWHIUXHWCR-LLVKDONJSA-N 315.443 -0.108 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(F)=C1CCCC1 758047928 ZPVPXUNLHKRSRY-SSDOTTSWSA-N 307.347 -0.131 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1 764421171 GNVAMLJKDWEMNU-UHFFFAOYSA-N 321.268 -0.910 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1=O 771856313 BLJZBGTVTLJBOE-SECBINFHSA-N 305.290 -0.345 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)CN2CCCC2=O)cc1 811635125 MRDDKYWCZSXNHT-UHFFFAOYSA-N 324.362 -0.594 50 20 DBGD COc1cc(C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O)on1 814834983 DHMYKWMBKXUOAC-ZETCQYMHSA-N 304.328 -0.539 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN(CC)CCO 823846145 CHSYDXKHVQKZPC-GFCCVEGCSA-N 321.443 -0.074 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 823905652 JWRVIXKEBZQBNH-BDAKNGLRSA-N 312.326 -0.967 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)CO1 828428130 TXEMVNXTRFBEJJ-NKWVEPMBSA-N 307.314 -0.128 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN2CC(F)(F)C[C@H]2C1 828767253 SHTHVEGNAKFJPH-UWVGGRQHSA-N 304.341 -0.043 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cnc(Cl)n1C 842593497 VMVBWJOALYEQPN-NKWVEPMBSA-N 322.774 -0.192 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(N3CCCC3)nc2)N1 862452253 DHXQJEKMRCCYEW-NSHDSACASA-N 317.349 -0.279 50 20 DBGD O=C(NNC(=O)c1cncc(N2CCOCC2)c1)c1cn[nH]c1 862472852 UUDPVDGBLIAXGC-UHFFFAOYSA-N 316.321 -0.284 50 20 DBGD CNC(=O)NCC(=O)NNC(=S)Nc1ccc(N(C)C)cc1 874952749 GDOAXJZAWKKDSF-UHFFFAOYSA-N 324.410 -0.001 50 20 DBGD C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)CN1CCCC1=O 913731139 VTEJBPVYJROLGX-INIZCTEOSA-N 319.361 -0.250 50 20 DBGD COC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCOCC1 1118185549 GEFAFXWOXWVOQC-WDEREUQCSA-N 315.370 -0.063 50 20 DBGD NC(=O)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1317903475 JOJOLKNKTCVSQW-NSHDSACASA-N 309.347 -0.330 50 20 DBGD C=CCNC(=S)NNC(=O)CCCCCS(N)(=O)=O 1329615012 GHAGVBKNAVVUPM-UHFFFAOYSA-N 308.429 -0.483 50 20 DBGD COC/C(C)=C/C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1332573776 XQGPAWVGCHYMTN-WHXYTISESA-N 305.356 -0.903 50 20 DBGD CC(C)C(=O)NCCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1345734104 XGHKJNODRBFTIN-GHMZBOCLSA-N 314.386 -0.096 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)C[C@@H]1CNCCS1(=O)=O 1575124787 DSKIXVVCLFQZRW-SECBINFHSA-N 305.400 -0.653 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H](N)CC(F)F 1575217403 ZYHZWUYBOADQAN-ZCFIWIBFSA-N 310.301 -0.359 50 20 DBGD COc1cc(C(=O)O)cc(NC(=O)NNC(=O)CO)c1OC 1599360806 OSBGNEGVHMAHST-UHFFFAOYSA-N 313.266 -0.453 50 20 DBGD C[C@H](NC(=O)[C@H](C)NC(=O)NNC(=O)C(C)(C)C)C(=O)O 1607459061 YJTYORJQZSGZQA-BQBZGAKWSA-N 302.331 -0.659 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21 1608530853 JAKSRVRPZOUNAK-UHFFFAOYSA-N 309.253 -0.663 50 20 DBGD C=C(C)COc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1609257423 CQEOCKHDBQOLSR-UHFFFAOYSA-N 321.289 -0.188 50 20 DBGD C/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783057318 SLWUIDPCXXLKKF-OIUHTZQUSA-N 316.785 -0.008 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CN2CCCC2=O)cc1 8188615 CYCZJRVMMANTLX-UHFFFAOYSA-N 316.317 -0.293 50 20 DBGD NC(=O)NC1CCN(S(=O)(=O)CBr)CC1 306669708 XBSFVBDOCZXWGY-UHFFFAOYSA-N 300.178 -0.199 50 20 DBGD CC(C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)N(C)C 584930414 XGJYENLQOXRHRS-LBPRGKRZSA-N 310.134 -0.652 50 20 DBGD Cn1nc2c(c1NC(=O)c1ccc(B(O)O)c(F)c1)CCC2 584934132 PIADUAFVTACUSN-UHFFFAOYSA-N 303.102 -0.020 50 20 DBGD CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584937978 SUNOWNUTWXINLG-CYBMUJFWSA-N 318.182 -0.255 50 20 DBGD CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584957888 JDMVURJZBOQNMR-YGRLFVJLSA-N 308.162 -0.036 50 20 DBGD CN(C)CCn1nccc1NC(=O)c1ccc(B(O)O)c(F)c1 584995793 ZGNQRLUJEGYCLQ-UHFFFAOYSA-N 320.133 -0.484 50 20 DBGD C[C@@H](CNCc1ccccc1B(O)O)CN1CCN(C)CC1 585022408 NMQKXLSDUIXSRH-AWEZNQCLSA-N 305.231 -0.661 50 20 DBGD CS(=O)(=O)CCCCNCc1ccc(B(O)O)cc1F 585048204 KYBBIZJPYZSMHE-UHFFFAOYSA-N 303.164 -0.580 50 20 DBGD Cc1ccc2c(c1)C(=NNC(=O)[C@H](C)NS(C)(=O)=O)C(=O)N2 728437958 YVFFZJJEXTYFSL-QMMMGPOBSA-N 324.362 -0.295 50 20 DBGD C[C@H](CS(C)(=O)=O)N(CC(=O)NNC(=O)C1CC1)C1CC1 733311962 ZMHHUFPOTBNNNE-SECBINFHSA-N 317.411 -0.559 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CO3)cn1 735445022 ALIBRUZFLNAIGD-UHFFFAOYSA-N 315.289 -0.174 50 20 DBGD COc1cc(NC(=O)NNC(=O)CO)ccc1N1CCCC1=O 755593035 LWCVNTDXFROTNT-UHFFFAOYSA-N 322.321 -0.033 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCC(C)(C)C1 758024442 GBBITFLDXOFIBE-DTWKUNHWSA-N 305.400 -0.102 50 20 DBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccccc1F 763336895 RMVLNZPEQWAUAI-ZDUSSCGKSA-N 306.341 -0.023 50 20 DBGD CCN(CC(=O)NNC(=O)c1cccs1)CC(=O)N(C)C 764189541 VVGNGEAWHBSPPR-UHFFFAOYSA-N 312.395 -0.081 50 20 DBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)Cc1ccncc1 767646350 MULGQEXRWSABEZ-UHFFFAOYSA-N 313.379 -0.015 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)ccc1=O 768279095 ZBEIYTORCZYALI-UHFFFAOYSA-N 319.321 -0.399 50 20 DBGD CCNC(=O)NNC(=O)C(=O)Nc1cc(OC)ccc1OC 772422423 DMHYPHBKQDSTJG-UHFFFAOYSA-N 310.310 -0.007 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(COC)cc1 773548937 CBIXSKLARMEZOS-UHFFFAOYSA-N 309.322 -0.045 50 20 DBGD CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)CO)cc1 777781302 MAFIRUCJIMUJPR-UHFFFAOYSA-N 307.350 -0.146 50 20 DBGD COCCONC(=O)NNC(=O)COc1ccccc1C#N 789347919 DTVRARSRTWZDAG-UHFFFAOYSA-N 308.294 -0.155 50 20 DBGD CN1CCN(CC(=O)NNC(=O)Nc2ccccc2)CC1=O 801987301 AQWKWLQREQSALP-UHFFFAOYSA-N 305.338 -0.387 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cn2C)cn1 822669652 LEAQHBLSAPJBST-UHFFFAOYSA-N 315.297 -0.987 50 20 DBGD CCn1nccc1CNC(=O)NNC(=O)C(=O)N1CCCC1 824349072 GYGKWOWMJLLFFY-UHFFFAOYSA-N 308.342 -0.644 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)Cc1cccnc1)C(C)=O 826123505 PRIATHPDLYJTIL-LBPRGKRZSA-N 321.333 -0.070 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CNCCC1(F)F 842002494 FTGWVQNBKXOJBN-BDAKNGLRSA-N 306.313 -0.117 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)COc1cccc(C)c1 845553459 UIPHAQQSOKMLEM-UHFFFAOYSA-N 324.337 -0.228 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CCC1=O 852578183 VPPUIYGWXXIRLD-UHFFFAOYSA-N 322.340 -0.249 50 20 DBGD CC(=O)c1cn(CC(=O)NNC(=S)N[C@@H](C)C2CC2)nn1 855096754 YKPODEPWRZACQZ-ZETCQYMHSA-N 310.383 -0.226 50 20 DBGD COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858694639 APKQJNKLWHMLIC-RKDXNWHRSA-N 312.326 -0.967 50 20 DBGD COc1cc(C=NNC(=O)CS(C)(=O)=O)cc2c1OCO2 863188359 SXPYEVXJTFWHCG-UHFFFAOYSA-N 314.319 -0.081 50 20 DBGD CNS(=O)(=O)CCCNS(=O)(=O)CBr 867629920 CWSSSLVLGKNNAZ-UHFFFAOYSA-N 309.207 -0.803 50 20 DBGD C[C@H](O)CN(C)NC(=O)CCN1CCN(c2ccccn2)CC1 910162580 HSEARFCIYRDVME-AWEZNQCLSA-N 321.425 -0.063 50 20 DBGD COCc1nc2n(n1)C[C@H](NC(=O)NNC(=O)C1CCC1)CC2 1116256568 LFDSMDZLWJNTST-SNVBAGLBSA-N 322.369 -0.130 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCC(C(=O)NC)CC1 1320266120 SBESSTPPXRAXHV-UHFFFAOYSA-N 300.359 -0.342 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(Cl)n1 1322290661 ZOBXNYKLKJQEDY-UHFFFAOYSA-N 322.712 -0.213 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)N(C)C)c(C)o1 1322375234 CZPNFROFVYYSCU-UHFFFAOYSA-N 304.328 -0.588 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(O)cc1O 1323605499 NHEIKFMMESWEPF-SSDOTTSWSA-N 314.319 -0.707 50 20 DBGD C[C@@H](Cc1ccccn1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331314808 KYTNXFFAWWISCE-ONGXEEELSA-N 305.338 -0.378 50 20 DBGD CC(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1336754752 FEQUQGQRXYDWMB-YPMHNXCESA-N 323.324 -0.503 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1cc(Cl)nc(N)n1 1528095714 ZKYMSUSIJYVMDQ-JGVFFNPUSA-N 311.777 -0.456 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCC(N)=O)cc(-c2nn[nH]n2)n1C 1591816884 MNTXWUJOGFENSV-OQFOIZHKSA-N 314.309 -0.978 50 20 DBGD O=C1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCN1 1593388168 KQTYNSDENUSXML-MRVPVSSYSA-N 316.325 -0.379 50 20 DBGD CC[C@H](C)[C@@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)O 1594901820 JUNLFGQXSJZZLW-TVQRCGJNSA-N 309.127 -0.639 50 20 DBGD O=C(O)Cn1cccc1C=NNC(=O)[C@@H]1CCc2nncn2C1 1610800844 GRADODQSCSBGBE-SNVBAGLBSA-N 316.321 -0.123 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CNC(=O)c2ccco2)n1 6427287 COKWYFOADXOTPJ-UHFFFAOYSA-N 319.321 -0.330 50 20 DBGD C[C@]1(NNC(=O)NCCn2cccc2)CCS(=O)(=O)C1 84457271 HRGSEKFDRXSPPS-LBPRGKRZSA-N 300.384 -0.131 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@@H](C)CS(C)(=O)=O)n1 266960319 MGGAISGFWQAFFN-QMMMGPOBSA-N 317.371 -0.147 50 20 DBGD COC(=O)c1cccc(NNC(=O)CNC(=O)CNC(C)=O)c1 272785240 GNFRNQBVLJHSBT-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD CO[C@@H](C(=O)NNC(=S)NCCSC)c1cnn(C)c1 282318534 MEZKBRGSBDBVQW-SECBINFHSA-N 317.440 -0.034 50 20 DBGD COCCN(C)NC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 288463575 QGJCFJNDOQIQNV-VMPITWQZSA-N 313.379 -0.043 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NNc2nnc[nH]2)cc1C 298091417 BAYJAYLLMJVLNB-UHFFFAOYSA-N 324.366 -0.157 50 20 DBGD C[C@@H](C(=O)NNC(=O)N(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 299393822 SFILICJMLNVTCI-LPEHRKFASA-N 310.354 -0.148 50 20 DBGD COC(=O)C12CCC(C(=O)NNC(=O)C(=O)NC3CC3)(CC1)C2 372938798 NNFKSVLDIMZZEP-UHFFFAOYSA-N 323.349 -0.464 50 20 DBGD O=C(NCCc1nncn1C1CC1)c1cccc(B(O)O)c1 584942223 QWMIISDWNCLVBL-UHFFFAOYSA-N 300.127 -0.735 50 20 DBGD O=C(NCCCOC[C@H]1CCCO1)c1ccc(B(O)O)cc1 584945146 OLTVJFJELSFJMX-CQSZACIVSA-N 307.155 -0.318 50 20 DBGD O=C(N[C@@H](CO)[C@H]1CCCOC1)c1cc(B(O)O)ccc1F 585002131 NLTQSUYBPFTSSD-ZANVPECISA-N 311.118 -0.977 50 20 DBGD OC[C@H]1CCCCN1c1cc(N2CC[C@@H](B(O)O)C2)ncn1 585078929 PQXBNKUAHXFMEN-VXGBXAGGSA-N 306.175 -0.119 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)CNC(=O)C2CC2)c1 728205868 JLJJIMRMMIAGAA-UHFFFAOYSA-N 320.349 -0.219 50 20 DBGD O=C(CSc1nnc(O)nc1O)NNC1=N[C@H]2C=C[C@H]1C2 739413538 RPXUXUXCTAVXRZ-WDSKDSINSA-N 308.323 -0.648 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCN1CCOCC1 740852863 LZBJCLMWYRIPNO-UHFFFAOYSA-N 314.386 -0.839 50 20 DBGD CCCCNC(=O)NNC(=O)[C@@H](NC(=O)COC)C(C)C 741212580 RVGBABIJFLTJLK-NSHDSACASA-N 302.375 -0.096 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)c2ccccc2F)nn1 747199665 RSLNMQLSFHPEGA-UHFFFAOYSA-N 321.268 -0.335 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)CCc1ccccc1 749847865 DBCRMKKJXLHNOO-UHFFFAOYSA-N 313.379 -0.294 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCNS(C)(=O)=O)o1 752363886 HTRWFPDBPLRCMD-UHFFFAOYSA-N 304.328 -0.919 50 20 DBGD NC(=O)C[C@H](NCC(=O)NNC(=O)C1CC1)C1CCCCC1 754501825 IHXKAGHNAMPBPC-LBPRGKRZSA-N 310.398 -0.042 50 20 DBGD O=C(COC(=O)CCc1nc[nH]n1)NNC(=O)c1ccccc1 764006185 VEYSXXXPWFJPLB-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD CC1(OCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 772973760 WYVTXOJZZFTWFW-SECBINFHSA-N 304.368 -0.472 50 20 DBGD COC(=O)CNC(=O)NN=C(C)c1cccc(-n2cnnn2)c1 779823878 UFACNUKYFBMVNZ-UHFFFAOYSA-N 317.309 -0.142 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nccn2C1)C(=O)N1CCCC1 786852305 SZGSGPMHXXUGHR-JTQLQIEISA-N 305.338 -0.785 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 809971368 CNCRJNFJTYPMGG-SECBINFHSA-N 302.338 -0.280 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1O 824877283 MAUORNBNBWXFBM-UHFFFAOYSA-N 319.317 -0.022 50 20 DBGD O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)[C@@H]1COCCO1 833102164 MUNNKKFALKVNHS-LBPRGKRZSA-N 322.317 -0.120 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)S(C)(=O)=O 852710781 BLWUKPLZTCSJMY-IUCAKERBSA-N 307.372 -0.681 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccn2nnnc2c1 854286203 WFEHDXQRCDOSJL-UHFFFAOYSA-N 323.382 -0.388 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)c1cccc(F)n1 856428541 XKZSEJUJXSZONE-MRVPVSSYSA-N 319.300 -0.379 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)N1 863414454 WUGZMIKQZODNGT-SECBINFHSA-N 319.289 -0.447 50 20 DBGD COc1cccc(CC(=O)NNC(=O)CS(C)(=O)=O)c1 863457531 KWIMMSVZOHYDTR-UHFFFAOYSA-N 300.336 -0.570 50 20 DBGD C[C@@H](Sc1ccccn1)C(=O)NNC(=O)CS(C)(=O)=O 863462109 HBAMGBWSBQSGEU-MRVPVSSYSA-N 317.392 -0.246 50 20 DBGD COCCOCC(=O)NNC(=O)CN(C)[C@H]1CCSC1 869908530 PKVFLZYZZUXSPG-JTQLQIEISA-N 305.400 -0.766 50 20 DBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NN(C)C(=O)OC 875511137 PLBUXZFRXBCJFP-UWVGGRQHSA-N 305.331 -0.281 50 20 DBGD COC(=O)C(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 1117530222 IUKXZASQSMRVQC-UHFFFAOYSA-N 303.271 -0.904 50 20 DBGD CCn1nc(C)c(CC(=O)NNC(=O)C(=O)NC(C)C)c1C 1117735957 UEBRMEUDOQQFIC-UHFFFAOYSA-N 309.370 -0.266 50 20 DBGD CC(C)O[C@@]1(CS(=O)(=O)NNC(=O)N(C)C)CCOC1 1119072646 LPYJCQNAABJRTM-NSHDSACASA-N 309.388 -0.324 50 20 DBGD Cc1ncncc1C(=O)NNC(=O)CNC(=O)c1cccnc1 1319174500 NEZHCLAFKBKUIB-UHFFFAOYSA-N 314.305 -0.629 50 20 DBGD NC(=O)C1(CNS(=O)(=O)CBr)CCOCC1 1337057670 MZYIQEJCFLVPTC-UHFFFAOYSA-N 315.189 -0.460 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)NN=c1cc[nH]cc1 1347363375 ZDIYBKBCLYMKFC-UHFFFAOYSA-N 306.347 -0.075 50 20 DBGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1517957865 SQLWPLCIHNEBBA-MRVPVSSYSA-N 323.305 -0.657 50 20 DBGD C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)[C@H]3COCCO3)CN2C1 1548662543 ZTSAEDNTAYMFOS-MROQNXINSA-N 311.382 -0.330 50 20 DBGD Cn1ccc(=O)c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1 1581776910 BPJWMZGNOCLBMS-UHFFFAOYSA-N 312.293 -0.283 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(C)=O)ccc1C(=O)O 1598937891 XBSCVUGHUQBDJE-UHFFFAOYSA-N 323.261 -0.723 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccnc(-c3nn[nH]n3)c2)n[nH]1 1605621660 LQPZPMGZIZVLQJ-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnccc2-c2nn[nH]n2)cn1 1606232305 MAQWORHDSUNLQP-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD C[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1783519202 LIVAKSLPUURELN-SBMIAAHKSA-N 308.737 -0.269 50 20 DBGD NC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl 1796811495 RHKMYYMQPIVGFO-IBCQBUCCSA-N 320.752 -0.173 50 20 DBGD CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835195665 FNAQVAUBXCKJON-DGCLKSJQSA-N 320.773 -0.938 50 20 DBGD C[C@H](CN1CCOCC1)NS(=O)(=O)CBr 126703450 SFHKWTBGZLWYNV-MRVPVSSYSA-N 301.206 -0.021 50 20 DBGD CCC(CC)[C@H](C(=O)NNC(=O)CN(C)C)N1CCOCC1 175945985 STPRMXZUOWZMDL-CQSZACIVSA-N 314.430 -0.168 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)[C@@H]1CCCO1 294772216 YGDXLUBDPUPQLL-XHDPSFHLSA-N 323.349 -0.766 50 20 DBGD O=C(NNC(=O)c1cccc2[nH]ncc12)C(=O)N1CCCC1 299545509 KBOOJWLOAZZRJE-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)cc1 367200909 MSYCVEGOGQOHBA-CQSZACIVSA-N 313.361 -0.291 50 20 DBGD CSCC[C@@H](O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494538481 HRTWIIBGZXYDJL-MRVPVSSYSA-N 321.399 -0.228 50 20 DBGD Cc1nn(C)c(C)c1CNC(=O)c1ccc(B(O)O)c(F)c1 584956013 ZARILLDNEZKBCV-UHFFFAOYSA-N 305.118 -0.214 50 20 DBGD CCO[C@H](CCN(C)C)CNC(=O)c1cccc(B(O)O)c1 584956725 ACVXINAKTDSXCX-CQSZACIVSA-N 308.187 -0.547 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C[C@H]2CCOC2)CC1 584960456 LKBYTXIWUALVBO-CYBMUJFWSA-N 318.182 -0.839 50 20 DBGD O=C1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)[C@H](C2CC2)N1 584987441 PGXIZXPUHSMXSL-OCCSQVGLSA-N 302.139 -0.847 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](c2nc[nH]n2)C1 585001403 VYCGTNMDTGKKGC-VIFPVBQESA-N 304.090 -0.747 50 20 DBGD COc1cccc(OC)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058411 FATWZTVYSQFHPP-SECBINFHSA-N 315.156 -0.059 50 20 DBGD CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585058899 SSBNEHBOWWRNDO-SNVBAGLBSA-N 301.177 -0.224 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 732046194 NHLQBBQQAGDIRI-LURJTMIESA-N 318.355 -0.140 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(=O)NCc1ccco1 732197752 YVVAYDORFOSSNB-JTQLQIEISA-N 310.354 -0.227 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(CNC(N)=O)cc2)cn1 735473103 MYEXDHVTJDSFGP-UHFFFAOYSA-N 316.321 -0.337 50 20 DBGD CCc1ccc(C(=O)NNC(=O)C[C@H](NC(C)=O)C(N)=O)cc1 740749249 SEXHBWQATGYCSX-LBPRGKRZSA-N 320.349 -0.610 50 20 DBGD CN(C)C(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 746001510 OIMVBJZVHXQRTH-UHFFFAOYSA-N 315.355 -0.996 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCCNC2=O)cc1 747171949 ZHSGOJIDBCDTOO-UHFFFAOYSA-N 301.306 -0.265 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)c2ccccc2C)nn1 747200054 NRCWEPFAUJHARP-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD NC(=O)c1ccc(OCCC(=O)NNC(=O)c2cnn[nH]2)cc1 748710045 WTGUPKVFYWEDFV-UHFFFAOYSA-N 318.293 -0.866 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-n2ccnn2)cc1 763562370 NJWDFDMRVMMHDC-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)n(C(C)(C)C)n1 764203196 HBFBCNOHRJITGW-UHFFFAOYSA-N 324.385 -0.406 50 20 DBGD COc1cc(Cl)c(C)cc1NC(=O)C(=O)NNC(=O)CO 764428732 KGGAMTBBIDBPBZ-UHFFFAOYSA-N 315.713 -0.265 50 20 DBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)CO)c(C)c1 764428923 NDKIWCYCANZWGX-UHFFFAOYSA-N 309.322 -0.138 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)ncn1 764688451 ONTUZVLZQZDXDB-UHFFFAOYSA-N 314.305 -0.629 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)N2CC=C(C#N)CC2)C1=O 767178855 ZSPARZJQAWBAAA-UHFFFAOYSA-N 302.290 -0.355 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)cc1F 768414006 YEXZNNCYIJFCCJ-UHFFFAOYSA-N 318.330 -0.221 50 20 DBGD CC(C)(C(N)=O)C(=O)NNc1nccc(N2CCOCC2)n1 770040286 IHBJWHWKBJRNFQ-UHFFFAOYSA-N 308.342 -0.732 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 783380256 VSSGVLGEDGFFIU-DTWKUNHWSA-N 306.409 -0.146 50 20 DBGD CC1(C)CS(=O)(=O)CCN1CC(=O)NNC(=O)C1CC1 794568113 SCDMEDUHKUKXLH-UHFFFAOYSA-N 303.384 -0.947 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1cccc(F)n1 804771250 OBXBDVXZJOCZMW-UHFFFAOYSA-N 313.314 -0.037 50 20 DBGD Cc1ccc(NCC(=O)NN=C2C(=O)NC(=O)NC2=O)c(C)c1 814215295 NVPDZSNTVAJGHT-UHFFFAOYSA-N 317.305 -0.446 50 20 DBGD COc1ccnc(NNC(=O)NCCc2nnc(S)n2C)n1 820244630 JUAQYGFABWZJBK-UHFFFAOYSA-N 324.370 -0.229 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 821681555 NMNBVNBPZDLTEE-ZDUSSCGKSA-N 320.309 -0.975 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O 826946459 OCXGYFSVAXVNGD-USZNOCQGSA-N 324.381 -0.105 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)o1 827288163 KMAQEYAZWBOGEW-IUCAKERBSA-N 310.310 -0.012 50 20 DBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NC1CN(C(=O)O)C1 831742329 ASQSUNHNWWVASZ-UHFFFAOYSA-N 323.265 -0.099 50 20 DBGD CC(=NNC(=O)NCC(=O)O)c1cccc(-n2cnnn2)c1 833384676 LOYGSTMOWGJURZ-UHFFFAOYSA-N 303.282 -0.230 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)c1cc[nH]n1 855359007 BGSVJFVEWLXHDZ-UHFFFAOYSA-N 307.270 -0.326 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2COc3ccccc3C2)N1 858694545 QWSBGJJYQVXVSN-WDEREUQCSA-N 318.333 -0.401 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1=O 862451684 PLPDCXQEDHDGOX-DTWKUNHWSA-N 310.354 -0.941 50 20 DBGD O=C1CN(CC(=O)NNc2c(F)cc(F)cc2F)CCN1 885155669 YABXAPXCPDSKKI-UHFFFAOYSA-N 302.256 -0.021 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccc(N(C)C)c1 918716722 BHYODJLJQPYKQE-UHFFFAOYSA-N 323.422 -0.050 50 20 DBGD O=C1CN(CC(=O)NNC(=O)C2CC2)[C@@H](c2ccccc2)CN1 933324730 CHFSSYNGOSZOPL-CYBMUJFWSA-N 316.361 -0.283 50 20 DBGD CCn1cnc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1118546695 QBZDTPJNLNOLAF-QMMMGPOBSA-N 300.340 -0.901 50 20 DBGD Cn1cc(C(=O)NNC(=O)CN2CCCC2=O)c(C(F)F)n1 1119662105 BXYBAQHHKSPCTA-UHFFFAOYSA-N 315.280 -0.259 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 1261880586 HSUZAONVLZMVRE-OCCSQVGLSA-N 323.349 -0.030 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1C#N 1317906567 PAKCSUAPKZFZHH-SNVBAGLBSA-N 322.346 -0.543 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C(N)=O)C1 1320492780 XYVMDVZYIIBWJN-BDAKNGLRSA-N 314.342 -0.734 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1C 1323939915 BTVJVWPBZUHTKH-UHFFFAOYSA-N 303.282 -0.923 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1325335564 LOELNJQQEYQKRN-MUWHJKNJSA-N 307.310 -0.454 50 20 DBGD Cc1ncc2n1CC[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)C2 1347360789 IISIBQLHECJKDB-SECBINFHSA-N 315.337 -0.214 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)C1=NN(CCO)C(=O)CC1 1351034966 NMDBPECPUHRJSD-UHFFFAOYSA-N 310.232 -0.943 50 20 DBGD N[C@@H]1C[C@H]2C[C@@]2(C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 1580404909 IFWGHBLAKQDBMB-FIXISWKDSA-N 317.349 -0.914 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)Cc1cn2ccccc2n1 1593908249 GILOJXNDTVORSJ-LLVKDONJSA-N 306.278 -0.876 50 20 DBGD Cn1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)O 1600946244 PLEWVAMAHGAYLX-VIFPVBQESA-N 313.335 -0.392 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 1601636288 YTXOFCYHPIYXNI-UHFFFAOYSA-N 320.183 -0.729 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1cc(O)cc([N+](=O)[O-])c1 272658165 GWCDAIYGFKRHJF-SNVBAGLBSA-N 311.250 -0.523 50 20 DBGD CCOC(=O)NCCC(=O)NNC(=O)N1CCN(C)CC1 278556265 HCJORDCBGBWOQJ-UHFFFAOYSA-N 301.347 -0.889 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 282478674 GYAVJWMZRDASLB-BXKDBHETSA-N 321.333 -0.113 50 20 DBGD CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584943734 MSZKPKSXRLDMLI-GFCCVEGCSA-N 308.118 -0.898 50 20 DBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@]1=O 584957404 HQXSAOJMWOJXEY-OAQYLSRUSA-N 313.159 -0.511 50 20 DBGD COCC(C)(C)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 585001658 XLSRWMBVMXRKLN-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 734118929 VBLHPHNKWQGRAX-UHFFFAOYSA-N 324.362 -0.299 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 737973268 DNNACQZUOYVTSQ-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1 738041201 YPABFDQYIIYLAW-MNOVXSKESA-N 307.306 -0.025 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)OC)cc1 743162148 XGDVAFCZSCRAJM-UHFFFAOYSA-N 302.312 -0.013 50 20 DBGD O=C(NNS(=O)(=O)c1cncc(F)c1)N1CCOCC1 749155611 XGVJAULCMJJTRT-UHFFFAOYSA-N 304.303 -0.544 50 20 DBGD N#Cc1ncn(CC(=O)NNC(=O)NCCc2cccs2)n1 769146020 BDIBKRJWVFTFHI-UHFFFAOYSA-N 319.350 -0.216 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn(C)c1N 772169254 FHWMMTAJQKFYCY-QMMMGPOBSA-N 311.342 -0.259 50 20 DBGD COCCCNC(=O)NN=C(C)c1cn(CC(=O)OC)nn1 772841665 UICKFZZVRDANBA-UHFFFAOYSA-N 312.330 -0.489 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1ccc(C)cc1=O 773703962 RMBRIJKNKYHPNU-SNVBAGLBSA-N 309.322 -0.354 50 20 DBGD CCCc1nc(C)c(NC(=O)C(=O)NNC(=O)CO)s1 777144853 ZWXDOYBYHWCPLB-UHFFFAOYSA-N 300.340 -0.518 50 20 DBGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CO)cc1 777781678 HPHKLHFQQCWKLD-UHFFFAOYSA-N 315.351 -0.873 50 20 DBGD Cn1cnn(CC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)c1=O 788602656 RECDVHBSXZLSBV-UHFFFAOYSA-N 310.245 -0.228 50 20 DBGD Cc1cccnc1NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 792513099 AXKQFCABSPOPGF-NSHDSACASA-N 312.395 -0.048 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)ccc1C 804124231 FKSPUTAIOBDBLG-UHFFFAOYSA-N 301.324 -0.015 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)nn1 809703624 RVGGBVTXZFUQQK-UHFFFAOYSA-N 306.238 -0.496 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)Cn1cc(C(=O)O)nn1 832977248 GEIMDJOGVORFHF-UHFFFAOYSA-N 317.305 -0.325 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1C 843658194 FXMXIHBCSZJDDV-RKDXNWHRSA-N 309.322 -0.002 50 20 DBGD CC(=O)c1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1C 847503846 VGYCVRMVOSTJLO-UHFFFAOYSA-N 320.349 -0.155 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(F)n1 856426561 ATVRTNIYQCIQSJ-SSDOTTSWSA-N 318.330 -0.691 50 20 DBGD O=C1CN(CCNC(=O)NNc2ncc(Cl)cn2)CCN1 856884132 UDVQZYCXZDDWHG-UHFFFAOYSA-N 313.749 -0.812 50 20 DBGD CNS(=O)(=O)CC(=O)N(C)NC(=O)OCc1ccccc1 862287338 LVUSCNGYBHEVOL-UHFFFAOYSA-N 315.351 -0.165 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=S)NC(C)(C)C 899996780 SBJDJVQOENSAQT-UHFFFAOYSA-N 324.472 0.000 50 20 DBGD C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)C(=O)N1CCCC1 1116267119 FJQHPGCYIGXRJO-WDEREUQCSA-N 312.370 -0.246 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2c(=O)cc[nH]c12 1118278918 AISVTLUCTHHBII-YUMQZZPRSA-N 305.294 -0.791 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 1251918590 DRVHSHVABDUDIE-RYUDHWBXSA-N 322.369 -0.773 50 20 DBGD O=C(CCc1ncc[nH]1)NNC(=O)CNC(=O)c1ccco1 1259131398 PXWLPQAVTXDZCG-UHFFFAOYSA-N 305.294 -0.487 50 20 DBGD C[C@]1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCOC1 1319956940 WLJKENSGSWNJPX-SKDRFNHKSA-N 319.383 -0.679 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCS(=O)(=O)C1 1322272672 FNBQLESGTSSNJV-SECBINFHSA-N 322.350 -0.460 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1326361275 KODZTJGTPQFRRP-HTQZYQBOSA-N 310.285 -0.268 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSCc1cscn1 1331832408 BTWNRJVIZXYBOL-UHFFFAOYSA-N 323.421 -0.432 50 20 DBGD Nc1cnnc(NNC(=O)NCCNC(=O)C2CC2)c1Cl 1333465021 HRDVDPBLWVKXMI-UHFFFAOYSA-N 313.749 -0.136 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCc1nc[nH]n1 1333776412 ALONSJLSRDGKKY-UHFFFAOYSA-N 300.388 -0.389 50 20 DBGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1342586823 PWCDWOOADRAELB-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD COC(=O)c1ccc(CCC(=O)NNC(=O)[C@H]2CCN2)cc1 1578863805 INLRWUXWOWDKSS-GFCCVEGCSA-N 305.334 -0.085 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@H]1CC(=O)O 1591111564 PXSJXPAREXCLSV-GHMZBOCLSA-N 315.370 -0.256 50 20 DBGD Cc1cc(NNC(=O)C(=O)Nc2cccnc2C(=O)O)ncn1 1594325187 GBULCAKNIMQQHJ-UHFFFAOYSA-N 316.277 -0.040 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1nc(C(F)(F)F)no1 1604291751 OHXDIBUNHGYIEK-UWTATZPHSA-N 311.176 -0.436 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 36666192 XHQBERZPGBVBMQ-YUMQZZPRSA-N 312.301 -0.203 50 20 DBGD COc1ccccc1C(=O)NCC(=O)NNC(=O)[C@@H]1CCCO1 46595101 ZRLDTMPTVHNMAD-LBPRGKRZSA-N 321.333 -0.249 50 20 DBGD O=C(C[C@H]1CCCO1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952970 AWTRQMLMGUTFDV-DTWKUNHWSA-N 305.356 -0.927 50 20 DBGD O=C1CCC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)N1 270189482 BUHMKCJXYVMBGC-BXKDBHETSA-N 319.317 -0.358 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)on1 273366205 DJSADXRYPZDBAV-SSDOTTSWSA-N 318.355 -0.503 50 20 DBGD O=C(NCCN1CCCS1(=O)=O)NNc1cccc(F)n1 288196346 PXTAGFZRKPCREO-UHFFFAOYSA-N 317.346 -0.118 50 20 DBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C 290977334 CMUWMDGBNWLFMW-QWRGUYRKSA-N 311.342 -0.756 50 20 DBGD CCN(CCNC(=O)c1cccc(B(O)O)c1)CC(F)(F)F 584977884 SYULTQGWSVZQMH-UHFFFAOYSA-N 318.104 -0.020 50 20 DBGD CC(C)(C)CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(N)=O 584982834 QXFGSVHNSHSJTE-GFCCVEGCSA-N 306.171 -0.224 50 20 DBGD CC(=O)N1CCC[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 584985175 HPFBVJDCBCAZDV-LBPRGKRZSA-N 304.155 -0.645 50 20 DBGD OB(O)c1cccc(CNC[C@@H]2CN3CCCC[C@@H]3CO2)c1 585032459 VFAYMZOTETUGNY-HZPDHXFCSA-N 304.199 -0.291 50 20 DBGD O=S(=O)(NCB(O)O)c1cccc(Br)c1F 585059262 GYAGGEIBFPURLH-UHFFFAOYSA-N 311.925 -0.122 50 20 DBGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccn2C)C1=O 726540677 JSCZSNGAFHEMKC-AWEZNQCLSA-N 321.337 -0.493 50 20 DBGD C=CCOCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 735437808 QNZUNUGQQSOUTE-UHFFFAOYSA-N 302.294 -0.170 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)nc1 751559649 CUDKDWYPCPIATB-UHFFFAOYSA-N 306.731 -0.955 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CCNC(=O)C1 754333901 UTOSVKRQZXBWFX-NSHDSACASA-N 305.334 -0.089 50 20 DBGD CSCCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048773 VWUBVYVIFWYZOO-QMMMGPOBSA-N 311.429 -0.395 50 20 DBGD Cc1ocnc1C(=O)NNC(=O)CNC(=O)c1cccnc1 764345325 RBCMCLSUKTVCIS-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD Cc1ccn2ncc(C(=O)NNC(=O)C(=O)NC3CC3)c2c1 766838063 WIZTUOBMQUMHRT-UHFFFAOYSA-N 301.306 -0.318 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 804952160 GJKONWYMWQIIPF-SECBINFHSA-N 301.310 -0.274 50 20 DBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)Cc1cc[nH]n1 806808747 MHRVPERVKYKJDY-UHFFFAOYSA-N 301.310 -0.337 50 20 DBGD Cn1ncc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1Cl 814816360 RYQNTYRBQZXMCT-MRVPVSSYSA-N 319.774 -0.106 50 20 DBGD COC(=O)C(C)(C)CC=NNC(=O)[C@@H](C)NS(C)(=O)=O 814835454 RAQGPBOGNSIRQC-MRVPVSSYSA-N 307.372 -0.385 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)N2CC(O)C2)cc(-c2nn[nH]n2)n1C 822029212 WFMAWZGDZLQMOM-XCVCLJGOSA-N 313.321 -0.376 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)n1 823546928 TVLKRHQIQZINNY-JTQLQIEISA-N 319.321 -0.519 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)[C@H](C)CO)C1 823965108 ISKFHWWELNTYFC-GHMZBOCLSA-N 307.416 -0.608 50 20 DBGD C[C@H](CO)N(C)NC(=O)CNC(=O)NCc1ccc(F)cc1 823983045 JRBQJIGJAUYBJG-SNVBAGLBSA-N 312.345 -0.031 50 20 DBGD CCCN1C[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)CC1=O 840668478 SWYJKAHLFJNVLP-ZJUUUORDSA-N 313.354 -0.266 50 20 DBGD C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C 840877425 XCMYWAZAZKWIME-JTQLQIEISA-N 314.386 -0.048 50 20 DBGD COc1cccc2c1NC(=O)C2=NNC(=O)C(=O)NC(C)C 842525330 NIHIBQWVNQOPQS-UHFFFAOYSA-N 304.306 -0.008 50 20 DBGD O=C(NNc1ncc(Br)cn1)[C@@H]1COCCN1 848436378 PGBUVQKVHFUPQD-ZETCQYMHSA-N 302.132 -0.329 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)c1cc[nH]n1)C(=O)OC(C)(C)C 855355577 AHWPWMIXAKAISO-CYBMUJFWSA-N 312.326 -0.083 50 20 DBGD C[C@@H](C(=O)NNc1cnnn1C)N1C(=O)NC2(CCCC2)C1=O 857271687 VNTDBOPWKXPPLI-QMMMGPOBSA-N 321.341 -0.489 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)(C)CN(C)C 858289567 NGFCOUDVPLWUED-VHSXEESVSA-N 313.402 -0.428 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC([C@H]3CCCO3)CC2)N1 858698789 ARBILAASDYOMFW-VXGBXAGGSA-N 324.381 -0.103 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNC(=O)C1CCC1 859328247 MLIQKPMFAHYQOP-SECBINFHSA-N 301.343 -0.181 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)c2cn(C)c(=O)n2C)cc1 899947603 ZQBLECKROSMXAG-UHFFFAOYSA-N 318.333 -0.128 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)c1n[nH]c(O)n1 918278011 PJBCXXPAOINVPX-UHFFFAOYSA-N 321.293 -0.251 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCO[C@@H](C#N)C2)n1 1116325311 ADJWYZSDOBEAFB-JTQLQIEISA-N 323.378 -0.634 50 20 DBGD COC(=O)COc1cccc(NC(=O)NNC(=O)CCO)c1 1116609860 MCHWSRYWWYYLFB-UHFFFAOYSA-N 311.294 -0.227 50 20 DBGD CN(NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(N)=O 1319841541 KIPCJUVGKRDWIH-SNVBAGLBSA-N 304.306 -0.453 50 20 DBGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)C(C)(C)C 1320181003 KCTMCJPURUJNQJ-UHFFFAOYSA-N 308.338 -0.174 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CCS(=O)(=O)C1 1322272673 FNBQLESGTSSNJV-VIFPVBQESA-N 322.350 -0.460 50 20 DBGD COc1cc(O)ccc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1338513371 NQACVAAXIBGIMK-QMMMGPOBSA-N 315.351 -0.211 50 20 DBGD COCC(=O)NCCC(=O)NNc1nncc(N)c1Cl 1340555230 MIMFOZGZKSNKPI-UHFFFAOYSA-N 302.722 -0.692 50 20 DBGD CN1CCN(C(C)(C)CNC(=O)c2ccc(B(O)O)cc2)CC1 1348548223 IKMSFYYCHJGSDZ-UHFFFAOYSA-N 319.214 -0.878 50 20 DBGD O=C(NNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21)Nc1ccc2c(c1)OCO2 1580736545 XBKGXSMOCTWWIH-GDGBQDQQSA-N 319.321 -0.031 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(C(=O)O)cn1 1592815460 HZGVVBCTENGROA-SSDOTTSWSA-N 301.324 -0.096 50 20 DBGD CC[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841278428 NUJJQPDFMVFYTF-NXEZZACHSA-N 304.774 -0.440 50 20 DBGD CC(C)CC(=O)NNC(=O)c1cc(S(N)(=O)=O)cn1C 21443916 JLLJQFBGFRBEGC-UHFFFAOYSA-N 302.356 -0.520 50 20 DBGD O=C(NC[C@H]1Cc2ccccc2O1)NNC(=O)C(=O)NC1CC1 46876992 PMEIFRHHUZHGHA-LLVKDONJSA-N 318.333 -0.401 50 20 DBGD CNC(=O)NNC(=O)c1cc(F)ccc1NS(C)(=O)=O 49119589 ZZAONPLMJJRKCQ-UHFFFAOYSA-N 304.303 -0.229 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1nnc2ccccc2c1=O 77219714 WWHRLJOTWRXTCF-UHFFFAOYSA-N 303.322 -0.015 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)COc1c(C)nn(C)c1C 131689270 HOMMWLNDXNSWDU-UHFFFAOYSA-N 306.326 -0.092 50 20 DBGD NC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)c1ccc(F)cc1 176224324 LRRPUFXQSJGXAC-NSHDSACASA-N 308.313 -0.464 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 247638806 UNHBZXOYNQKZOD-UKKRHICBSA-N 306.366 -0.016 50 20 DBGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(C(N)=O)nn1 268300198 WQANNBWYYVKCJT-VHSXEESVSA-N 323.353 -0.007 50 20 DBGD CN(NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C(N)=O 276240177 ZVRFTNXGKYYZOV-GHMZBOCLSA-N 310.354 -0.531 50 20 DBGD CN(C)[C@H](C(=O)NNC(=O)c1ccccn1)c1cncn1C 280757258 LPPZUTRMGFCVTO-LBPRGKRZSA-N 302.338 -0.121 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCO2)c(C)n1 293184033 ASJPCWJUUKGWPZ-JTQLQIEISA-N 322.321 -0.336 50 20 DBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)C(C)(C)C)cn1C 298862341 PUHDKSKOBGKCQM-UHFFFAOYSA-N 316.383 -0.260 50 20 DBGD O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(B(O)O)c1 584936193 HBZMQNFIDRRCOO-NSHDSACASA-N 316.088 -0.267 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@@](=O)C1 584982470 KYEXXUSXIJKJRA-JLTPVHFHSA-N 313.159 -0.654 50 20 DBGD CC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)[S@@]1=O 584988119 DWTKREZHFMYJSA-HWBVIDEXSA-N 309.196 -0.262 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(c2nnco2)CC1 584988793 DWIIIJCEWWTERB-UHFFFAOYSA-N 301.111 -0.231 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)NCC2CC2)c[nH]1 743255521 FPNWYNWZXOEONV-UHFFFAOYSA-N 316.339 -0.296 50 20 DBGD O=C(NC[C@@H]1CCCS1)NNC(=O)C(=O)N1CCCC1 757255635 UNVYLTJEYXDBIJ-VIFPVBQESA-N 300.384 -0.165 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N=c1nc[nH]n1C 757760139 FOZABWKKJOFMRT-MRVPVSSYSA-N 322.300 -0.004 50 20 DBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 757797067 PLFMVLYBJWDXJI-GZMMTYOYSA-N 309.370 -0.922 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 765588375 YNXDQUZQFDQTPH-UHFFFAOYSA-N 320.265 -0.751 50 20 DBGD CC(=O)NNC(=O)c1nccc2c(S(N)(=O)=O)cccc12 768467213 CUZOKBLPUUIEIF-UHFFFAOYSA-N 308.319 -0.337 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C)[C@@H](O)C2)n1 768767168 CMCAQSCRDYPNQW-SCZZXKLOSA-N 312.395 -0.546 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CCO)C(C)(C)C1 781961509 UFWCGXOYZSEEIC-LLVKDONJSA-N 300.403 -0.679 50 20 DBGD CN(NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(N)=O 782125358 WEHCSBIVKSGLFW-UHFFFAOYSA-N 306.731 -0.357 50 20 DBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 795081404 QSDNPXCAZIOBFR-YIZRAAEISA-N 309.388 -0.867 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)n2cncn2)cc1 801107076 LSXYJQSVHQTMQW-JTQLQIEISA-N 316.321 -0.066 50 20 DBGD CC[S@@](=O)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 803473255 PHZQSYNXZQLJKI-GWNMQOMSSA-N 306.384 -0.120 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)c2ncn(C)n2)cc1 810007831 ROOVFXYDDKWUCJ-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD CN(C)C(=O)C1(NCC(=O)NNC(=O)C2CC2)CCCCC1 831121121 NTYGXRBCBDLCOH-UHFFFAOYSA-N 310.398 -0.076 50 20 DBGD COC(=O)c1ccccc1NNC(=O)C1(S(N)(=O)=O)CC1 845915547 QUSNMVHHXFYZNQ-UHFFFAOYSA-N 313.335 -0.263 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Cn1cnc2ccccc21 847286232 JMLCNKMZBXMYCT-VHSXEESVSA-N 315.333 -0.305 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCS2(=O)=O)n1 847707266 SIRMJGRTECAICD-RXMQYKEDSA-N 305.747 -0.268 50 20 DBGD COCCOCC(=O)NNC(=O)CN1CCCCCC1=O 849202707 LKQCDRWLWCAPQF-UHFFFAOYSA-N 301.343 -0.801 50 20 DBGD C[C@@H]1C(=O)N(C)CCN1C(=O)NNC(=O)c1cccc(F)n1 852710084 JPPHVOPJVKCVNZ-MRVPVSSYSA-N 309.301 -0.262 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNC(=O)C1CC1 854180304 LOSBSAJIKPSSRP-SNVBAGLBSA-N 303.384 -0.350 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 860129079 VMJIBKOVJITSLH-NEPJUHHUSA-N 305.334 -0.282 50 20 DBGD O=C(CN1C(=O)CCOc2ccccc21)N1CC[C@@H](B(O)O)C1 864233489 HWFCYCDNULKULQ-LLVKDONJSA-N 318.138 -0.123 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)COCCOC 869909532 ZLDJKBSYSQZDOV-LLVKDONJSA-N 315.370 -0.412 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12 894134383 KEJNKSCTRBEIMO-MEBBXXQBSA-N 302.334 -0.395 50 20 DBGD C[C@@H]1CCN(CCNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1 897428359 HBTYJLJUEYUYGN-DGCLKSJQSA-N 318.443 -0.291 50 20 DBGD O=C(C[C@@H]1NC(=O)c2ccccc21)NNC(=O)N1CCOCC1 900426682 IMHKONLHQZEPMS-LBPRGKRZSA-N 318.333 -0.066 50 20 DBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccccc2)cn1 1116558872 GSEKQLGFSIZQLW-UHFFFAOYSA-N 316.321 -0.289 50 20 DBGD COCCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1251620202 WGJUYDKSFXGTSC-UHFFFAOYSA-N 307.354 -0.123 50 20 DBGD CN(C)N(C(=O)c1cnn(CCF)c1)[C@H]1CCS(=O)(=O)C1 1323322441 MQQDYYXDEMTIGC-NSHDSACASA-N 318.374 -0.042 50 20 DBGD CCn1nncc1C(=O)NNC(=O)CNC(=O)c1ccco1 1326460981 PWZMKSBDPRLYKL-UHFFFAOYSA-N 306.282 -0.918 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1342467741 XQPMAZCKCXHKSY-UHFFFAOYSA-N 319.325 -0.579 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NN(C)[C@@H](C)CO)cc1 1348953318 DFVFARGCPFNIHR-JTQLQIEISA-N 315.395 -0.519 50 20 DBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CON)CC1 1575172747 OQHHNNGKINJZPH-UHFFFAOYSA-N 316.358 -0.329 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)CN2CCNCC2)c1 1579351304 ICHWJLBGDRINLQ-UHFFFAOYSA-N 312.395 -0.562 50 20 DBGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1588498753 FELIHJRWSYROIK-UHFFFAOYSA-N 323.236 -0.992 50 20 DBGD CCCNC(=O)NNC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1590638389 KYJIJXLKHWBUQN-UHFFFAOYSA-N 304.314 -0.076 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(F)c2C(=O)O)O1 1601156851 GNPPOWZLCXBTBC-DTWKUNHWSA-N 311.269 0.000 50 20 DBGD CC(C)(CS(=O)(=O)NNC(=O)Cc1ccccn1)C(=O)O 1603659459 AAZMFDGDAHQFLO-UHFFFAOYSA-N 315.351 -0.315 50 20 DBGD O=C(O)c1ccc(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 1608890251 XXWQTKVSCCHKSG-LLVKDONJSA-N 313.140 -0.237 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](Cn2ccnn2)C1 119115526 OVMURPWRDGMGBY-RYUDHWBXSA-N 308.386 -0.064 50 20 DBGD O=C(NNC(=O)[C@@H]1CSCCS1)C(=O)N1CCCC1 267461645 KACOKTBJMOSESK-QMMMGPOBSA-N 303.409 -0.395 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2COCCN2CC(F)F)n1 274586742 IHNYPQMVYXIWAZ-MRVPVSSYSA-N 317.296 -0.106 50 20 DBGD C[C@]1(C(N)=O)CCN(CC(=O)NNC(=O)c2ccccc2)C1 280523238 FBBLETGSMGDKSC-HNNXBMFYSA-N 304.350 -0.355 50 20 DBGD CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 295312735 VVJRZSQUMIOCQU-MRVPVSSYSA-N 315.326 -0.609 50 20 DBGD CCOC(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 490959829 RNLFPYIXPHOKSM-UHFFFAOYSA-N 301.324 -0.134 50 20 DBGD CC(=O)NC1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584938154 IUSNCIAEOUXHEJ-UHFFFAOYSA-N 304.155 -0.457 50 20 DBGD CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(B(O)O)ccc1F)C2 584996640 NIBTVDRHGNUAKH-RYUDHWBXSA-N 306.146 -0.140 50 20 DBGD O=C1NCCCN1Cc1nc(-c2cccc(B(O)O)c2)no1 585053768 PTAWOPCFTNWPSC-UHFFFAOYSA-N 302.099 -0.668 50 20 DBGD OC[C@H]1CCCN(c2cc(N3CC[C@H](B(O)O)C3)ncn2)C1 585072671 CZILZRGJVJRKNL-RYUDHWBXSA-N 306.175 -0.262 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1 729966720 YDWPWXBVKLCIHH-UHFFFAOYSA-N 321.333 -0.009 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNC(=O)c1ccccc1F 733351394 BZPXUTXIAAOPGK-UHFFFAOYSA-N 323.284 -0.679 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1 747367267 SLOREVIIRRXIFP-NSHDSACASA-N 322.369 -0.188 50 20 DBGD O=C(CCNC(=O)c1ccco1)NNC(=O)C(=O)N1CCCC1 748246259 HZEDJXJDJCWHOI-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1ncc(F)cn1 762093101 KKARKJQYMLXHLB-UHFFFAOYSA-N 321.334 -0.985 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCN1C(=O)CCC1=O 771910098 GUBCRKHHNFQIQZ-QMMMGPOBSA-N 313.310 -0.985 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c([N+](=O)[O-])cnn1C 772236462 QKGLVWJYXFUANK-LURJTMIESA-N 313.270 -0.569 50 20 DBGD C[C@H](C(=O)NNc1cc(Cl)nc(N)n1)N1C(=O)CCC1=O 773862951 ZPJXWNSJGUJUCE-RXMQYKEDSA-N 312.717 -0.307 50 20 DBGD O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)CO 777781638 CYZPTWKEFMQOMJ-UHFFFAOYSA-N 323.393 -0.151 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)c1c(C)nc2ccccn12 780857902 ZGRLAIOAWQVMIU-UHFFFAOYSA-N 303.322 -0.070 50 20 DBGD O=C(CN1CCSC[C@@H]1CO)NNC(=O)c1ccccc1 784240077 RHCSMPNNJFPIQH-LBPRGKRZSA-N 309.391 -0.143 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CCC1 813480866 YZZCYVMAKIALHD-AWEZNQCLSA-N 306.322 -0.281 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1 817527625 MQYCCQJBLGBFAJ-HNNXBMFYSA-N 305.334 -0.336 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 823946782 OLGFQNUYOGBRRA-QWRGUYRKSA-N 317.386 -0.034 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 823952859 UYCFQVPMDRINFH-GWCFXTLKSA-N 319.361 -0.151 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1ccc(C)cc1O 844648950 BSWLYLZYONDUCW-UHFFFAOYSA-N 317.367 -0.242 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCS1(=O)=O 847643297 XNRVCDMARFCDKQ-ZETCQYMHSA-N 311.454 -0.578 50 20 DBGD O=C(NNC(=S)NCCCN1CCOCC1)c1cc[nH]n1 849277266 XLILQNBOYBVEAT-UHFFFAOYSA-N 312.399 -0.759 50 20 DBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1 852375093 UZQXUXKXQRDLPS-NXEZZACHSA-N 312.301 -0.031 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H](O)c2ccccc2F)N1 858694381 NFOWTJVKMUEXMH-WDEREUQCSA-N 324.312 -0.532 50 20 DBGD CC(C)O[C@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858702934 QIMPXSVUTHLRSN-QWRGUYRKSA-N 312.370 -0.105 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449298 DRRLVWAVBBWDHD-QMMMGPOBSA-N 314.342 -0.673 50 20 DBGD COc1cc(C)ccc1C(=O)NNC(=O)CS(C)(=O)=O 863465030 QJVYSXRQWWIVCQ-UHFFFAOYSA-N 300.336 -0.191 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](O)C(F)(F)F 863886396 YJMXSNSRFIHKEU-CDUCUWFYSA-N 309.024 -0.453 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2nnc(C)n2C)CC1 879190853 FPLOLUYYNHUSDX-SNVBAGLBSA-N 323.401 -0.809 50 20 DBGD CC(C)N1C[C@H](NC(=O)NNC(=O)C2CCOCC2)CC1=O 883440021 HIVHEJYYHSRDPZ-LLVKDONJSA-N 312.370 -0.247 50 20 DBGD CC(=NNC(=O)C(N)=O)c1ccc(OCC(=O)N(C)C)cc1 916274327 MFTBWHZOKYBYHJ-UHFFFAOYSA-N 306.322 -0.521 50 20 DBGD COC(=O)c1ccc(NNC(=O)Cn2cc([C@H](C)O)nn2)nc1 1116389650 JRZVSODCFWSPPQ-QMMMGPOBSA-N 320.309 -0.344 50 20 DBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1 1320239899 MZTLOZOHUBBYIX-UHFFFAOYSA-N 318.333 -0.068 50 20 DBGD CC(C)n1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)nn1 1323312980 WOXSMFSQVRAIRU-UHFFFAOYSA-N 305.298 -0.247 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cn(C)nn2)cc1C 1324295455 TZZVATYLSINRIJ-UHFFFAOYSA-N 316.321 -0.168 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCCCn1cncn1 1332021562 SUNRMHCVCHWMHE-UHFFFAOYSA-N 303.326 -0.364 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1333347527 MZWWZSDTRKGEEP-UWVGGRQHSA-N 308.400 -0.688 50 20 DBGD Cc1conc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1342420279 BGKMEBMOVMKHII-SSDOTTSWSA-N 302.312 -0.430 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc2n1CCC2 1347548620 OPQBGTGZGPMTSC-UHFFFAOYSA-N 307.354 -0.105 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1n[nH]c2c1CCCC2 1351130300 SOYMEIARCNAKBM-UHFFFAOYSA-N 316.325 -0.775 50 20 DBGD CC(C)C[C@]1(C(=O)NNC(=O)C2CCNCC2)CCNC1=O 1575549146 FUPVGPYQBBAWNT-OAHLLOKOSA-N 310.398 -0.314 50 20 DBGD COC(=O)CC[C@@H](N)C(=O)NNC(=O)CCOc1ccccc1 1578809855 PFOQXXUBSSFIKG-GFCCVEGCSA-N 323.349 -0.117 50 20 DBGD N[C@@H]1CCC[C@H]1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1580378634 PDBGQTBWCNCUMX-LPEHRKFASA-N 303.384 -0.914 50 20 DBGD C=C[C@@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588498542 BGHZSGIWVOPLIX-CYBMUJFWSA-N 302.294 -0.435 50 20 DBGD CN1C[C@@H](O)C[C@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1591170358 FXHOKZJESWRPNO-SMDDNHRTSA-N 317.353 -0.235 50 20 DBGD O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)c1ncon1 1601556243 SXKBSAMGWZJNCK-MAUMQABQSA-N 306.278 -0.256 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)CC1 1606235770 WVVAQKABLLWXLP-UHFFFAOYSA-N 307.310 -0.618 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1606901197 ZWARZQFAXVIVMY-IWSPIJDZSA-N 303.315 -0.911 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1609537103 QAQQLSZBFZGCGH-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD CNC(=S)NNC(=O)c1csc(N2CCOCC2)n1 7660838 ZSDSGTCSLWZEGH-UHFFFAOYSA-N 301.397 -0.282 50 20 DBGD CC1(C)C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 182306513 VYJQVWOVCDYBAW-UHFFFAOYSA-N 304.350 -0.342 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1=O 265853963 ZUEQUQDWBBJCJN-SECBINFHSA-N 322.321 -0.668 50 20 DBGD CNC(=O)[C@@H]1CN(C(=O)NNC(=O)c2ccccc2C)CCO1 272780542 OEZDMDWOEHCIFJ-LBPRGKRZSA-N 320.349 -0.204 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(OC)c(-n2cnnn2)c1 274518907 OPFSOUDSVGMGGV-UHFFFAOYSA-N 319.325 -0.023 50 20 DBGD Cc1cc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCC2)[nH]n1 281218924 OFLQWVOUPHBWKN-UHFFFAOYSA-N 300.340 -0.554 50 20 DBGD C=CCNC(=S)NNC(=O)CCn1c(C)cc(O)cc1=O 281233003 NCJKSSLJUCXZRB-UHFFFAOYSA-N 310.379 -0.066 50 20 DBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cn1nc(C)cc1C 285213249 WXVPQOPLSBDRNC-WDEREUQCSA-N 308.338 -0.153 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)s1 291574524 TYHZBTQBHSHBKC-VIFPVBQESA-N 313.379 -0.049 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)Cc1cn2ccccc2n1 293113394 DBUIENYSQDAAOZ-UHFFFAOYSA-N 318.337 -0.657 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)Cn1cc(S(N)(=O)=O)cn1 494708024 AVPFLLBKMRBWNO-UHFFFAOYSA-N 319.343 -0.914 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(n2cncn2)CC1 584936600 FVKGCMFACQVYNI-UHFFFAOYSA-N 318.117 -0.426 50 20 DBGD CC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)C1 584959179 CYDBQLUNCDBSMN-SECBINFHSA-N 308.118 -0.802 50 20 DBGD CC(=O)NC[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584991644 FFFFUQCBIQILME-JTQLQIEISA-N 308.118 -0.896 50 20 DBGD CCCN1C[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 585001328 WDVBFEUVXIWKAC-JTQLQIEISA-N 322.145 -0.506 50 20 DBGD CN(C)CCN1CCC(NCc2ccc(B(O)O)cc2F)CC1 585017455 BGQASGBEAROODG-UHFFFAOYSA-N 323.221 -0.379 50 20 DBGD CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(B(O)O)cc1F 585042454 QVFHBSJVJPTHBW-GXTWGEPZSA-N 313.178 -0.247 50 20 DBGD CCCn1c(=O)n(CCC(=O)NCB(O)O)c2ccccc21 585060628 IBPONHLAUPTLGC-UHFFFAOYSA-N 305.143 -0.269 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)COc1ccccc1O 730836554 SXFNRAYITFPAGC-UHFFFAOYSA-N 316.335 -0.647 50 20 DBGD O=C(NCC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 738044790 LPMYWDSVOMYDJG-UHFFFAOYSA-N 302.298 -0.384 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 747409666 IQVWYBXJDIBEKX-UHFFFAOYSA-N 321.380 -0.686 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccc2ccccc2n1 751558110 NFVDKQDJWMVODM-UHFFFAOYSA-N 322.346 -0.455 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 764204947 VWOMCSNDFTURBF-UHFFFAOYSA-N 307.285 -0.655 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnn2ncccc12 765349197 VDRUCZVBWDMNGN-UHFFFAOYSA-N 318.337 -0.205 50 20 DBGD Cn1ncc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 785681482 AICDNKXYQGIOLM-LLVKDONJSA-N 303.278 -0.584 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C(F)F 792640639 GFMUPBWAFMJSLD-YFKPBYRVSA-N 301.315 -0.637 50 20 DBGD O=C(Cc1c[nH]c2ccccc12)NN=C1C(=O)NC(=O)NC1=O 814214392 BQHDRZSXHRNAJT-UHFFFAOYSA-N 313.273 -0.451 50 20 DBGD Cn1c(CC(=O)NNC(=O)NCCC(=O)O)nc2ccccc21 819063832 PQGKSCYVGHALEJ-UHFFFAOYSA-N 319.321 -0.079 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccncc1 822645978 ZNTJBYIIROTVFB-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 823993796 WCMSPBFDIJSJNM-SNVBAGLBSA-N 315.395 -0.106 50 20 DBGD CCCn1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 832684770 RMOMWBGEXFUXBG-ONGXEEELSA-N 323.353 -0.196 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCCS(=O)(=O)C2)n1 846053199 OBECASRVOHWLNZ-JTQLQIEISA-N 311.363 -0.024 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 847281245 XRSNIJOJXGFVLM-NXEZZACHSA-N 306.278 -0.133 50 20 DBGD CC(C)[C@@H](CNC(=O)NNC(=O)[C@@H]1COCCO1)C(=O)O 848589679 HSWJRPXNIVOMGF-BDAKNGLRSA-N 303.315 -0.911 50 20 DBGD CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NNC(=O)C(C)C 852076722 ZEGSDSKSIBVKOQ-CYBMUJFWSA-N 318.377 -0.033 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNC(=S)NCC1CCC1 855091291 KHQZUNPAQZJCNT-UHFFFAOYSA-N 313.383 -0.776 50 20 DBGD CCOC1CC2(CCN(C(=O)NNC(=O)[C@H]3CCC(=O)N3)C2)C1 858700066 DGTISTCCLMSDJO-LOIXOFCESA-N 324.381 -0.103 50 20 DBGD O=C(COCCc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 862454121 QPCZYCPREIOINZ-LBPRGKRZSA-N 305.334 -0.328 50 20 DBGD O=C(/C=C\c1cccnc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1115887161 ZWTHLRVMVAGJPK-DLRQAJBASA-N 324.362 -0.388 50 20 DBGD C=CCNC(=S)NNC(=O)C1(S(C)(=O)=O)CCOCC1 1117697711 MAADUZHRQSIXHV-UHFFFAOYSA-N 321.424 -0.739 50 20 DBGD O=C(NN=Cc1cnc2cnccn12)N[C@@H]1CCS(=O)(=O)C1 1252420744 QNLQOYBLBALHMC-SECBINFHSA-N 322.350 -0.451 50 20 DBGD Cn1cc(CCNC(=O)NNC(=O)Cc2ccncc2)cn1 1252481939 JNCFHEQEKVZPLN-UHFFFAOYSA-N 302.338 -0.069 50 20 DBGD Cc1nc([C@H](C)NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)no1 1261104535 UPNSPHGWZLRKKT-CPCISQLKSA-N 317.371 -0.180 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1CCOC1 1318200845 WKERTUHYKFFBOF-SECBINFHSA-N 310.310 -0.624 50 20 DBGD O=C1CC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CN1 1322609281 NSGIZESEXDUKOB-SECBINFHSA-N 301.310 -0.368 50 20 DBGD CCC(=O)N[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324348645 NJKSSDOGYUCVTB-NXEZZACHSA-N 305.400 -0.607 50 20 DBGD COc1nccnc1NNC(=O)C1CCS(=O)(=O)CC1 1327355463 WSIXJVKMHZCBMO-UHFFFAOYSA-N 300.340 -0.247 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(O)cs1 1327617010 OGEDKRGOEGZVGQ-LURJTMIESA-N 304.349 -0.351 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2CCNCC2)C[C@@H]1Br 1334722222 XGVFNGPTJQQFQB-GZMMTYOYSA-N 304.188 -0.292 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=S)NCC1CCC1 1351001806 UBDBMJGGVCPDTA-QMMMGPOBSA-N 313.383 -0.730 50 20 DBGD CO[C@H]1CN[C@H](C(=O)NNc2ccc(S(C)(=O)=O)cc2)C1 1574006785 RUGMKKIYSPDCKT-PWSUYJOCSA-N 313.379 -0.090 50 20 DBGD CS(=O)(=O)CC[C@H](N)C(=O)NN=c1cc[nH]c2cccnc12 1574057656 ULPIZYOQEZJINS-VIFPVBQESA-N 323.378 -0.743 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H](N)CCS(C)(=O)=O)C1CC1 1576233497 HPYPMWOZMYEOKW-CBAPKCEASA-N 322.456 -0.958 50 20 DBGD CN1C[C@@H](C(=O)NNc2cc(F)c(F)cc2F)NCC1=O 1578519191 HWZUVZCUEVMFFJ-JTQLQIEISA-N 302.256 -0.023 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1c(C)csc1C(=O)O 1599143523 VITUOWQMRGDDEX-UHFFFAOYSA-N 315.307 -0.513 50 20 DBGD COCCNC(=O)/C(C#N)=C\c1nc(-c2nn[nH]n2)cs1 1605106368 VJAGTOXODSTAFB-DAXSKMNVSA-N 305.323 -0.007 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccn(C2CCCCC2)n1 1608531332 ZAMQQLJLRCZSTE-UHFFFAOYSA-N 323.309 -0.441 50 20 DBGD O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)C(=O)O 1610690931 LVFLYGDXCXXGNG-LBPRGKRZSA-N 320.349 -0.077 50 20 DBGD COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795202378 TVXCEBLNVDVXGK-JZSSXWJLSA-N 308.737 -0.243 50 20 DBGD O=C([C@@H]1CCOC1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354124 JGOGESYAQZFEEQ-GHMZBOCLSA-N 316.785 -0.174 50 20 DBGD C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1845178068 QSLOOQFJAHFJCM-BDAKNGLRSA-N 305.737 -0.141 50 20 DBGD O=C(NNC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CC1 61226149 MVXZDBFTBOGGSP-UHFFFAOYSA-N 301.302 -0.112 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CC(=O)N(C)C2)nc1C 272141447 DPBJHOJQSIPHDL-VIFPVBQESA-N 321.337 -0.117 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1cc(Cl)ccn1 272149453 AFZHWHVCHHESTC-UHFFFAOYSA-N 318.786 -0.092 50 20 DBGD Cc1cc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 273549688 YONBFKOAMZMFDP-MRVPVSSYSA-N 303.340 -0.405 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1cnccn1 274772118 VDHQZYCTZJSVLQ-VIFPVBQESA-N 301.372 -0.116 50 20 DBGD Cc1cccnc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 276013937 BIPAEXUTQGARNS-MRVPVSSYSA-N 315.355 -0.520 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3[nH]nnc3c2)CC1 278592951 KNRGCIAYDSSEHI-UHFFFAOYSA-N 303.326 -0.440 50 20 DBGD O=S(=O)(CCCCl)NCCN1CCCS1(=O)=O 405983919 PEIIBXRBFYNLCV-UHFFFAOYSA-N 304.821 -0.430 50 20 DBGD CO[C@@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 491498541 IRJRZDOAERQBAC-QMMMGPOBSA-N 304.347 -0.124 50 20 DBGD NC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 584937396 CKGYAOVUWBPBRH-JTQLQIEISA-N 323.133 -0.832 50 20 DBGD CS(=O)(=O)CCCCCNC(=O)c1ccc(B(O)O)cc1 584977212 NVAWKDPTOVXKNU-UHFFFAOYSA-N 313.184 -0.689 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H](C)[S@]1=O 584980671 HHVUEXRHJPOYOC-APJWKNSMSA-N 313.159 -0.513 50 20 DBGD Cc1n[nH]c(C)c1CCNC(=O)c1ccc(B(O)O)c(F)c1 584996260 CGVCZHRICOTERC-UHFFFAOYSA-N 305.118 -0.182 50 20 DBGD O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCB(O)O 585058105 SUTAXADLMJSMGY-UHFFFAOYSA-N 320.135 -0.523 50 20 DBGD Cc1ccc(-c2nnn(CC(=O)N3CC[C@H](B(O)O)C3)n2)cc1 585070435 ZYPAQJLRYKMIGI-LBPRGKRZSA-N 315.142 -0.276 50 20 DBGD O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CC[C@H](B(O)O)C1 585073285 BMGGURGJHIYILN-SDDRHHMPSA-N 322.170 -0.373 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 725878742 PCUKSGYSUKOPAQ-UHFFFAOYSA-N 314.301 -0.209 50 20 DBGD NC(=O)N[C@@H](CC(=O)NNC(=O)c1cnn[nH]1)c1cccs1 729457148 ZWMAXLKATZHJBJ-LURJTMIESA-N 323.338 -0.573 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCCO2 739453089 CNEHXDKVEUFLAJ-RKDXNWHRSA-N 306.274 -0.061 50 20 DBGD CCCc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n[nH]1 758037330 ZZFSQCDHGOPYAA-SSDOTTSWSA-N 317.371 -0.939 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNc1nccc(OC)n1 761139769 SPKCOZMUDBMHDL-UHFFFAOYSA-N 317.371 -0.352 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)c(OC)c(F)c1 764296181 WGLHYCKSGJLBMV-UHFFFAOYSA-N 317.248 -0.294 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1COCCN1CC 772236616 RKMLSYMBEYWCSR-NXEZZACHSA-N 301.343 -0.804 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC[C@]1(C)CCC(=O)N1 772237689 PYWCLYHAZLTEHY-OTYXRUKQSA-N 313.354 -0.076 50 20 DBGD NC(=O)c1cc(CNC(=O)NNc2nc3ccccn3n2)on1 790435064 XFMMDQLSRBEKSU-UHFFFAOYSA-N 316.281 -0.358 50 20 DBGD O=C(COc1ccccc1O)NNS(=O)(=O)N1CCC1 795821567 AHQJRYVRVSWKDF-UHFFFAOYSA-N 301.324 -0.658 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCn2ccnn2)cc1 801109010 XYLJALNNUYKAKU-UHFFFAOYSA-N 316.321 -0.237 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=S)NC1CCC1 814199883 CJFUGNYMAWFOGV-UHFFFAOYSA-N 307.379 -0.141 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc(-c2nn[nH]n2)s1 823273611 SBKZESJMSKJIMD-ZCFIWIBFSA-N 324.322 -0.895 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCNC(=O)C(C)(C)C 825925535 PYFYHLCQDYMDNW-UWVGGRQHSA-N 314.386 -0.096 50 20 DBGD O=C(O)Nc1cccc(C(=O)NNC(=O)[C@H]2COCCO2)c1 833291619 NLLBHGOFZQRQIB-SNVBAGLBSA-N 309.278 -0.047 50 20 DBGD COCC1(CC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 843540107 BNRFEQMJAFFLLO-UHFFFAOYSA-N 309.322 -0.027 50 20 DBGD CN1CCC(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858281638 VZMJLEAQTRJDHF-LLVKDONJSA-N 311.386 -0.673 50 20 DBGD Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 861945932 FXTQEHMUTPRFGZ-VIFPVBQESA-N 322.296 -0.501 50 20 DBGD C[C@@H](NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(F)(F)F 862314331 ZQCMLLLXSXPYOV-RKDXNWHRSA-N 310.320 -0.032 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccnc2N2CCCC2)N1 862450270 PTGWLLRHKSSLRU-LLVKDONJSA-N 317.349 -0.279 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)c1cn[nH]c1)C2 862469480 LQJUPVOHMCCCQP-LSJOCFKGSA-N 319.321 -0.186 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCc2nc[nH]n2)C[C@@H](C)O1 1116242678 YXQNMKIQOPJSQY-GHMZBOCLSA-N 324.385 -0.616 50 20 DBGD CCn1ccc(NC(=O)C(=O)NNc2nccnc2OC)n1 1261601073 CFEJBNTUGGGQSU-UHFFFAOYSA-N 305.298 -0.217 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2coc(C3CCOCC3)n2)N1 1261829910 FCISNTBZURRAKU-SECBINFHSA-N 322.321 -0.392 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)C2CC2)s1 1317982112 JAEPTUMQOLGNKK-UHFFFAOYSA-N 303.365 -0.505 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 1320230975 CXHMQCSEEQWLTH-UHFFFAOYSA-N 322.321 -0.184 50 20 DBGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1320357781 HHRQJCKDYPVNBO-UHFFFAOYSA-N 323.305 -0.668 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)CN1CCCC1=O 1334260267 MWNTVCQHYUTSNT-SNVBAGLBSA-N 319.365 -0.390 50 20 DBGD CNC(=S)N(C)NC(=O)C1CCN(C(=O)N(C)C)CC1 1347796668 MWHMYRMHPKUVHA-UHFFFAOYSA-N 301.416 -0.153 50 20 DBGD C[C@@]1(C(=O)N2CCC(O)(C(N)=O)CC2)C[C@@H]1Br 1354014534 FZYMZMULYGWNSI-OIBJUYFYSA-N 305.172 -0.001 50 20 DBGD CN1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1=O 1591177300 AQQNTMBUNSHOGK-MRVPVSSYSA-N 302.298 -0.817 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)o2)O1 1591735748 VYECHWZNRTXTTR-HTRCEHHLSA-N 306.282 -0.212 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cccc(CC(=O)O)c1 1598140450 SMSYKFWYRUEWPG-UHFFFAOYSA-N 301.324 -0.222 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCSCC(=O)O)ccc1=O 1600931779 GJXKJFULROSJHD-UHFFFAOYSA-N 313.335 -0.646 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)COc1ccc(F)cc1 1604434892 PBELXRILNKEMLO-SNVBAGLBSA-N 300.242 -0.549 50 20 DBGD O=S(=O)(CCl)NCCNc1ccc(-c2nn[nH]n2)cn1 1609592410 JQSGNVXIBXNOLS-UHFFFAOYSA-N 317.762 -0.211 50 20 DBGD COC(OC)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347699 BWLXJJWCGGQHOE-VIFPVBQESA-N 320.773 -0.592 50 20 DBGD O=C(c1ncc[nH]1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556785 NZTGOOLKKLSWSD-LPEHRKFASA-N 312.757 -0.175 50 20 DBGD O=C(Cc1cccs1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 54375049 MBFMXZFKUQFLAZ-QMMMGPOBSA-N 317.392 -0.192 50 20 DBGD CC(=O)N1CC(C(=O)NNc2nc3ccccc3c(=O)[nH]2)C1 188410268 PXXWTEVYRIQMJC-UHFFFAOYSA-N 301.306 -0.156 50 20 DBGD CCn1c(NNC(=O)[C@H]2COCCN2)nc2ccccc2c1=O 236993321 DDRKWGDROCIJSH-GFCCVEGCSA-N 317.349 -0.152 50 20 DBGD NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 285731860 BSTIILOCDLGZPJ-UHFFFAOYSA-N 312.351 -0.216 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)Cc2ccccc2F)c1=O 294196851 VISRXHSTJLLLNC-UHFFFAOYSA-N 321.312 -0.499 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1COCCO1 298424187 HBBGPVDBUPEYFE-LBPRGKRZSA-N 309.322 -0.330 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N1CCOCC1 299380029 NPGRZFVHPVESCV-UHFFFAOYSA-N 302.331 -0.416 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1COCCN1C1CCCC1 584914085 PFNVQUHHKNTAOU-HNNXBMFYSA-N 318.182 -0.052 50 20 DBGD O=C(NC[C@H](CO)Cc1ccco1)c1ccc(B(O)O)c(F)c1 584930896 FVDDYWUOFNPHGI-SNVBAGLBSA-N 321.113 -0.321 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](N2CCCC2=O)C1 584944082 ASTQFELKKXVKHG-CQSZACIVSA-N 316.166 -0.407 50 20 DBGD CC(C)N1C[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584995602 OJAGHDRIPKYRPQ-JTQLQIEISA-N 322.145 -0.508 50 20 DBGD CC(C)N1CCC(O)(CNCc2ccc(B(O)O)cc2)CC1 585030973 NDXYWEGZCWGIJT-UHFFFAOYSA-N 306.215 -0.309 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733110722 QSXJOGYCKYUQLX-UHFFFAOYSA-N 322.346 -0.322 50 20 DBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CN(C)C 733359305 LLAUQSJVKZMHMR-SECBINFHSA-N 302.400 -0.603 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 738138392 VRBOMTBDXCLBHB-RKDXNWHRSA-N 307.306 -0.025 50 20 DBGD CN(C)Cc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 741284884 VFQCYKYOOICANF-UHFFFAOYSA-N 304.350 -0.212 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1ccco1 758024317 CAYZERXAOGNCJJ-HTQZYQBOSA-N 303.340 -0.532 50 20 DBGD COC(=O)C[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 759052191 IEUZKQYBJDPJOY-NXEZZACHSA-N 306.384 -0.322 50 20 DBGD O=C(Cn1cc(CO)nn1)NNC(=O)c1cccc([N+](=O)[O-])c1 761786389 OKRULBBVFDECLT-UHFFFAOYSA-N 320.265 -0.860 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1COCCN1CC 772236619 RKMLSYMBEYWCSR-ZJUUUORDSA-N 301.343 -0.804 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 783380255 VSSGVLGEDGFFIU-BDAKNGLRSA-N 306.409 -0.146 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1nc2ccccn2n1 791255517 FNFJGUGZBBVUAB-VIFPVBQESA-N 324.366 -0.404 50 20 DBGD COC(=O)c1cncc(C(=O)NNC(=O)N2CCN(C)CC2)c1 807382490 DQAHQNRZBVMMPC-UHFFFAOYSA-N 321.337 -0.530 50 20 DBGD C[C@H](CO)N(C)NC(=O)CNS(=O)(=O)c1cccc(F)c1 823987037 DFHMWBULRZAXMX-SECBINFHSA-N 319.358 -0.552 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCN(C(=O)C(C)(C)C)CC1 827326698 FZLWQPWVHDJALQ-UHFFFAOYSA-N 312.414 -0.020 50 20 DBGD CO[C@@H]1COC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1 838779415 ZJOPIPNCNIDZBP-VHSXEESVSA-N 319.325 -0.298 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843651477 MZRDGAZAZJEWER-JGVFFNPUSA-N 310.310 -0.320 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843972524 AVORIDYIPLUJMF-VHSXEESVSA-N 321.399 -0.770 50 20 DBGD COC[C@@H](OC)C(=O)OCC(=O)NNC(=O)c1ccccc1 850196077 NDTXNGDXSMGDKW-LLVKDONJSA-N 310.306 -0.348 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 852394530 UIOYDBQGZZCEQL-BJDJZHNGSA-N 324.381 -0.247 50 20 DBGD O=C(NNS(=O)(=O)N1CCOCC1)c1cccc(F)n1 853051246 ICIGNJJECKDEOJ-UHFFFAOYSA-N 304.303 -0.968 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccncn2)C1 857520846 QBEHERSAYRHQAH-JTQLQIEISA-N 313.383 -0.019 50 20 DBGD CC[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCS1 858696798 NLUDLACJGWFDMG-DTWKUNHWSA-N 300.384 -0.167 50 20 DBGD O=C(NNC(=O)c1cnc(C2OCCO2)s1)c1cn[nH]c1 862470229 LHYLVIGOKDSRLF-UHFFFAOYSA-N 309.307 -0.014 50 20 DBGD O=C(CSc1nnnn1C1CC1)NNC(=O)c1cn[nH]c1 862473188 IDVPMXVXXGRSDE-UHFFFAOYSA-N 308.327 -0.716 50 20 DBGD CCOC(=O)N1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 863879140 OAWZZYUIEIIBAS-JTQLQIEISA-N 324.117 -0.534 50 20 DBGD CCOC(=O)CC1(S(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 864232099 LEUFRYBYAILBDB-SECBINFHSA-N 305.161 -0.649 50 20 DBGD CCNC(=O)NNC(=O)CN1CCC[C@H](C(=O)OCC)C1 900386176 MBLZMCNPTPRWFU-JTQLQIEISA-N 300.359 -0.388 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 921295503 PSRGXBVYOZZNDB-UHFFFAOYSA-N 324.355 -0.051 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCCS1(=O)=O 1116573879 RAPQVGFKKSJQAR-NSHDSACASA-N 311.363 -0.261 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(OCC3CC3)nc2)N1 1119279217 GFHSMWUHVBNKHL-NSHDSACASA-N 318.333 -0.090 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1nc2cnccc2s1 1261662144 IPPJIPRWKDYOBZ-UHFFFAOYSA-N 307.335 -0.023 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1319320402 IPMYXNYJBHERLL-JTQLQIEISA-N 320.353 -0.407 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)c1ccc[nH]1 1321573719 NEWDXWUBDXBGME-UHFFFAOYSA-N 314.305 -0.337 50 20 DBGD CNC(=S)N(C)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1334440527 LSUDSGQCETYVCX-UHFFFAOYSA-N 322.350 -0.885 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1335365387 AJRKCLJOJWCBGK-JTQLQIEISA-N 308.367 -0.406 50 20 DBGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(C)=O)c1 1342593360 XBOTYBDAWBBCAW-UHFFFAOYSA-N 312.713 -0.195 50 20 DBGD NCc1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1 1345791225 LAPQJOMWUBYVRS-UHFFFAOYSA-N 305.338 -0.746 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CCc3ncncc3C2)nc1O 1346094041 OKZSKFMYFPOXEJ-QMMMGPOBSA-N 301.310 -0.076 50 20 DBGD CCCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)n1 1346776474 GMILVPNFXZXGRS-UHFFFAOYSA-N 307.354 -0.015 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)n1 1347532134 OKRDNVFRJAHPEY-WCQYABFASA-N 303.366 -0.461 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCN3CCC[C@H]3C2)N1 1351352970 NTMKCDQOGALSHL-GARJFASQSA-N 309.370 -0.778 50 20 DBGD CN1CCNC[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1 1578537892 CJTRGXRBGYISPT-LBPRGKRZSA-N 310.785 -0.067 50 20 DBGD COCC1(CNC(=O)NNC(=O)c2cccnn2)CCNCC1 1578982888 NJPHTEFQPBNPKL-UHFFFAOYSA-N 322.369 -0.563 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@H]1CCN1 1579872175 BVIIXLWTXDEPGG-SNVBAGLBSA-N 302.338 -0.051 50 20 DBGD NC[C@@]1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCCOC1 1580235873 FRRMLTMLHPSJCP-HNNXBMFYSA-N 321.381 -0.195 50 20 DBGD N[C@H](CO)C(=O)NNC(=O)c1ccccc1Br 1580409318 OUURKNPUSYMRHG-MRVPVSSYSA-N 302.128 -0.470 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1591163900 CWFPDPLDPGNTNI-SNVBAGLBSA-N 301.310 -0.069 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)ccc1=O 1594530344 NWZIYGBIAPALCM-UHFFFAOYSA-N 316.273 -0.447 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)NC2CCN(CC(=O)O)CC2)cn1 1594537824 LYWZAZQCDFYVEC-SDQBBNPISA-N 317.349 -0.008 50 20 DBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1 1595960714 BGQZRTGRRIJOHJ-UHFFFAOYSA-N 309.278 -0.354 50 20 DBGD CCOC(=O)CCCCCCNC(=O)NNC(=O)C(=O)O 1596600927 DWXSESUOSORVOU-UHFFFAOYSA-N 303.315 -0.085 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(COC)cc(C(=O)O)c1 1598650868 PSNOYSOBNAAUPA-UHFFFAOYSA-N 317.323 -0.347 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cn1 1600947251 SWNGTPVUKLEAJC-NWLMCBKJSA-N 314.305 -0.138 50 20 DBGD Cc1nc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)nn1C 1607963240 WSAGZJTXPADTQZ-UHFFFAOYSA-N 318.293 -0.096 50 20 DBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1799265898 OYBGHCWCCZOYDM-WYFGTUCQSA-N 303.790 -0.448 50 20 DBGD C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800996675 LCURCLSNJNIEFO-LSCVPOLPSA-N 316.785 -0.248 50 20 DBGD CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348213 STVQJXJZQCOJBW-QWRGUYRKSA-N 316.833 -0.117 50 20 DBGD CC(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558573 NYPAVRPAJWSXCK-YFKTTZPYSA-N 318.801 -0.195 50 20 DBGD Cc1noc(Cl)c1CC(=O)NNC(=O)C(=O)N1CCCC1 101515845 ALMUHBKXKPSIHD-UHFFFAOYSA-N 314.729 -0.051 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H]1CCCCO1 263746312 WNRPJALHAOJUTM-JTQLQIEISA-N 324.337 -0.091 50 20 DBGD C[C@@H]1Oc2ccccc2N(CC(=O)NNC(=O)CN(C)C)C1=O 263906412 HDQIHTDUKUBQPZ-JTQLQIEISA-N 320.349 -0.491 50 20 DBGD COCCOc1cc(C(=O)NNC(=O)N2CCOCC2)ccn1 271934040 MPHJRKKRPKMYSI-UHFFFAOYSA-N 324.337 -0.207 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)NC(=O)OC 278702909 SETBCOXDBYYASA-QMMMGPOBSA-N 305.331 -0.333 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccnn1CC(F)F 279266146 RBRVXRNUJRWEKG-UHFFFAOYSA-N 303.269 -0.165 50 20 DBGD Cn1cnn(CC(=O)NNc2nccnc2C2CCC2)c1=O 286923722 IOQRWXWKQNZDFX-UHFFFAOYSA-N 303.326 -0.217 50 20 DBGD NC(=O)c1ccc(OCC(=O)NNC(=O)N2CCOCC2)cc1 299366978 JYKYQKSUPGRLAB-UHFFFAOYSA-N 322.321 -0.763 50 20 DBGD CCOC(=O)NCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 497070707 HQOBETWDVUXZNO-VIFPVBQESA-N 307.372 -0.775 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(B(O)O)c2)C1 584909359 CTGDNJZCNYHRAD-NSHDSACASA-N 304.155 -0.047 50 20 DBGD COCCN1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584935815 YXPSPJGREDUMKI-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CN(Cc1ccnc(N(C)C)n1)C(=O)c1cccc(B(O)O)c1 584970588 QPBISSPGHBPZCH-UHFFFAOYSA-N 314.154 -0.505 50 20 DBGD CN(C)C(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCCCC1 584998318 PQFNVZBMEYLOEI-UHFFFAOYSA-N 318.182 -0.113 50 20 DBGD O=C(CCN1C(=O)COc2ccccc21)N1CC[C@H](B(O)O)C1 585070427 ZSQWLPJCAQNWFI-NSHDSACASA-N 318.138 -0.123 50 20 DBGD CCN1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 729303547 SUCFVTVWRCUZDZ-WDEREUQCSA-N 317.411 -0.557 50 20 DBGD CC(=O)CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735457934 HSMSIOOAFNXDKE-UHFFFAOYSA-N 302.294 -0.003 50 20 DBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)co1 755391270 CWTBKOCQBRNTPP-UHFFFAOYSA-N 301.324 -0.299 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cncc(O)c1 764345634 TWHGFYOEDVUHIM-UHFFFAOYSA-N 315.289 -0.627 50 20 DBGD C=C(C)COc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764421173 GOIHLAMAKPPQFC-UHFFFAOYSA-N 307.306 -0.280 50 20 DBGD CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CO)cc1 777782945 YGVSPXSGUIZTJC-UHFFFAOYSA-N 300.336 -0.378 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](CO)c1cnn(C)c1 778136106 COOICELSZNROLT-JQWIXIFHSA-N 311.386 -0.375 50 20 DBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)O 787949080 JDSNQDSKSIXBLW-VIFPVBQESA-N 300.359 -0.513 50 20 DBGD CON(C)C(=O)CNC(=O)NNC(=O)COCc1ccccc1 817797264 VPGKVVDRVRYPFY-UHFFFAOYSA-N 324.337 -0.447 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)NCc1ccco1)S(N)(=O)=O 823792799 FCVXMIPANDGUNF-VIFPVBQESA-N 318.355 -0.433 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)C(C)(C)O)C(=O)OC(C)(C)C 832749836 OQTXZCAYAANEQO-ZDUSSCGKSA-N 304.343 -0.349 50 20 DBGD COc1ccc2c(c1)C(=O)N(CC(=O)NNC(=O)C1CC1)C2=O 845344083 UNZSZIPWDNXUQJ-UHFFFAOYSA-N 317.301 -0.151 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CCOC(=O)N1 861765098 LHHSWVVJCRMNOF-SNVBAGLBSA-N 307.306 -0.116 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3C2)N1 862449911 LWSXUDJNHBYBMM-QWRGUYRKSA-N 303.318 -0.336 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2nc3cccnc3s2)N1 862458540 GIMKOTUFRDPKHQ-LURJTMIESA-N 305.319 -0.269 50 20 DBGD Cc1csc(C(=O)NNC(=O)CCNS(C)(=O)=O)c1 862475758 WCTGBPBNQWJGDO-UHFFFAOYSA-N 305.381 -0.243 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)CS(C)(=O)=O)n1C 863185795 CIFDNFQDROGSFQ-UHFFFAOYSA-N 301.324 -0.694 50 20 DBGD CCc1ccccc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863414279 YSNMFHCNHOPIBU-SNVBAGLBSA-N 311.363 -0.163 50 20 DBGD C[C@]1(C(=O)N2CCN(CC(N)=O)CC2)C[C@H]1Br 906427699 DOGDVORQEZJXSQ-KCJUWKMLSA-N 304.188 -0.211 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)Cn1ccc(=O)n(C)c1=O 915062465 QMTWBLFYUTYLNU-UHFFFAOYSA-N 316.317 -0.683 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 916830549 GJVIULILMMTYET-JTQLQIEISA-N 304.306 -0.640 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1(N(C)C)CC1 923003984 NOWMFJKWKVGVNA-SNVBAGLBSA-N 302.375 -0.538 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 1319298725 GSMAOGGRRHFEKQ-GMTAPVOTSA-N 314.386 -0.144 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1320908207 OOSPUPVSIJJLCQ-UHFFFAOYSA-N 309.326 -0.675 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CCc1nc(-c2nc[nH]n2)no1 1338096459 GNHMLHXPYAXAQY-UHFFFAOYSA-N 307.314 -0.019 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cccc(C#N)n1 1349152741 KZFFXMCPASSEAI-WPRPVWTQSA-N 317.305 -0.536 50 20 DBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@H]1COCCO1 1602106246 ICRUHRPHWGMQDB-IVZWLZJFSA-N 315.326 -0.624 50 20 DBGD COC(=O)CC[C@H](NS(=O)(=O)CCCCl)C(=O)O 1604322128 MAMXALWGIZCADK-ZETCQYMHSA-N 301.748 -0.059 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1sccc1-c1nn[nH]n1 1604951289 QEIBJXRFBRTZAK-UHFFFAOYSA-N 311.283 -0.746 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNc2cccc(F)n2)C1=O 1606253798 YEEWLZPRVAWCTO-MRVPVSSYSA-N 310.285 -0.013 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(CCC(=O)O)cc1 1606774652 VAZHSWMLJSGWCV-UHFFFAOYSA-N 323.305 -0.564 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)Nc1ccccc1 1610677565 VDJMDXFJRYCQKH-UHFFFAOYSA-N 304.266 -0.171 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)s1 1610839901 JENGWQGRWQKDQP-ZCFIWIBFSA-N 320.348 -0.065 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 45266272 ZIALUWBGFLMUGN-LBPRGKRZSA-N 305.334 -0.058 50 20 DBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(C)=O)cc1 263653034 FARKYEQBBGHOCY-QMMMGPOBSA-N 315.351 -0.471 50 20 DBGD Cc1ccc(NNC(=O)NCCCN2CCC[C@@H]2C(N)=O)nn1 264519581 VTSIHXZHHCNMAL-LLVKDONJSA-N 321.385 -0.249 50 20 DBGD CCN(CC)S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 264877739 SRVCUESVBWWIRV-UHFFFAOYSA-N 318.355 -0.783 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)n1 272573131 DEONQKFUPOVNMB-LDYMZIIASA-N 323.353 -0.488 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 278006132 RGALPWCJRPNGEQ-UHFFFAOYSA-N 319.317 -0.409 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)O1 280517760 MKEXOFFNHDHKJQ-MNOVXSKESA-N 309.297 -0.452 50 20 DBGD COc1cccc(C(=O)NNC(=O)CCS(C)(=O)=O)c1O 299086659 LWLFYIWIMJEQTB-UHFFFAOYSA-N 316.335 -0.404 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(=O)NCC1CC1 492744989 GNOOTTSIPUELPB-UHFFFAOYSA-N 314.342 -0.815 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(Cc2ccon2)CC1 584949928 BCZRNFYWQHGDOC-UHFFFAOYSA-N 315.138 -0.688 50 20 DBGD COCC1(C#N)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584986852 CUPOEKDQXUYVEZ-UHFFFAOYSA-N 302.139 -0.241 50 20 DBGD C[C@@H]1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CC(=O)N1 585054568 XWUIMOHETUKJOS-PSASIEDQSA-N 301.111 -0.202 50 20 DBGD CCCN(CC(=O)NNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 733194333 KCWIMYMRZVTXQJ-NSHDSACASA-N 317.411 -0.557 50 20 DBGD Cn1cc(C(=O)NNc2ncccc2Cl)c(=O)n(C)c1=O 735116432 LQIICTTTXATBIZ-UHFFFAOYSA-N 309.713 -0.111 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1cccnc1 738137565 VNXAJZRYZLWBQF-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)NCC1CC1)C(C)C 741212524 QBSGEQAOXGPWNI-NSHDSACASA-N 300.359 -0.486 50 20 DBGD COCCOCC(=O)NNC(=O)c1cnc2onc(C)c2c1 741984574 FEJZFSMCSBRGPK-UHFFFAOYSA-N 308.294 -0.045 50 20 DBGD COCc1nc(C(=O)NNC(=O)N2CCOCC2)cs1 745995964 FUUCXXCZVCRTJA-UHFFFAOYSA-N 300.340 -0.024 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 751211344 AGUHLZZAYPDYHM-UHFFFAOYSA-N 317.323 -0.007 50 20 DBGD O=C(CO)NNC(=O)Nc1cccc(CN2CCCC2=O)c1 755685870 DAJKWCZFVJSDOG-UHFFFAOYSA-N 306.322 -0.046 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccnc1OC(C)C 764325988 XHFSPWPZNJWHGE-UHFFFAOYSA-N 324.337 -0.009 50 20 DBGD CCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)CO 764428779 KMHUNESOBYYUAS-UHFFFAOYSA-N 311.294 -0.828 50 20 DBGD COC(=O)c1cncc(C(=O)NNC(=O)c2c[nH]nc2C)c1 774305792 WRIQFYBWXDKSDR-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD COC(=O)c1cc(C=NNC(=O)CN2CCCC2=O)cn1C 790151971 WUHCTCONEBOSLJ-UHFFFAOYSA-N 306.322 -0.116 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)NCCF 799902694 HYMIKZSWZQLQOF-VIFPVBQESA-N 321.312 -0.024 50 20 DBGD CC(=O)NCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812731568 LWDDQGYWGQBYPX-UHFFFAOYSA-N 314.367 -0.484 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H](CO)NC(=O)C(C)C)nc1 813501048 OZXLHZXASBOSDG-JTQLQIEISA-N 324.337 -0.556 50 20 DBGD O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1nc[nH]n1 816631255 LBRCTEDLNDBPSF-RKDXNWHRSA-N 306.326 -0.187 50 20 DBGD CCCc1nnc(S)n1CC(=O)NNc1nnc(C)c(O)n1 817283268 RJTYYWUYGMDCKP-UHFFFAOYSA-N 324.370 -0.138 50 20 DBGD CCS(=O)(=O)CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826974411 NCHHEQPPEFUTPW-ZJUUUORDSA-N 321.399 -0.433 50 20 DBGD C[C@H](CC(=O)O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 827304048 OCVWVQMCBAHXBZ-MRVPVSSYSA-N 318.293 -0.466 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccc(C(N)=O)cc1 843644757 DHHMSGCZKJCFKA-SKDRFNHKSA-N 321.333 -0.263 50 20 DBGD CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858467239 LURXYDYAHJIXCP-GHMZBOCLSA-N 313.402 -0.284 50 20 DBGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461337 ODKYGCWBRQEMQL-VIFPVBQESA-N 307.266 -0.783 50 20 DBGD COC(=O)CCN(C(=O)c1cc(B(O)O)ccc1F)C(C)C 863872908 PEEZFVSUVIQRDE-UHFFFAOYSA-N 311.118 -0.081 50 20 DBGD CC(C)CC(=O)NNC(=O)NC1CCN(S(C)(=O)=O)CC1 916237695 DRGLCINYSYWBMC-UHFFFAOYSA-N 320.415 -0.213 50 20 DBGD O=C(Cn1cncn1)NNC(=O)c1cncn1-c1ccccc1 1115866348 SVUVDVLKXGDLFB-UHFFFAOYSA-N 311.305 -0.075 50 20 DBGD COc1c(C)ccc(NC(=O)C(=O)NNC(=O)CCO)c1C 1116623845 ZJXNCNNPQPPIKR-UHFFFAOYSA-N 309.322 -0.220 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCOC3(CCC3)C2)N1 1118810513 JIDXSWWWNBRNDC-ZJUUUORDSA-N 310.354 -0.303 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1cccc(S(C)(=O)=O)c1 1118953087 MNFQBZSHJUEIMO-UHFFFAOYSA-N 318.376 -0.415 50 20 DBGD CCC(=O)N1CC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 1253364036 VDBFPTIAICYIFK-QMMMGPOBSA-N 306.326 -0.723 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)nc1 1317778415 DZVQWNDTKBINIX-UHFFFAOYSA-N 308.294 -0.846 50 20 DBGD CN(C)C(=O)c1ccc(C=NNC(=O)C(=O)N2CCCC2)[nH]1 1319042912 DARNBSCXBLDKKX-UHFFFAOYSA-N 305.338 -0.211 50 20 DBGD CC1CC(C#N)(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1319159748 AERWGBJMQWGXDQ-NBBOBHDQSA-N 314.367 -0.556 50 20 DBGD N#CCOc1cccc(CC(=O)NNC(=O)C(=O)NC2CC2)c1 1319638631 VNHWDKMSBCAOCO-UHFFFAOYSA-N 316.317 -0.443 50 20 DBGD Cc1nsc(C)c1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1324431388 LIDXMPVLDGQNHL-MRVPVSSYSA-N 317.392 -0.044 50 20 DBGD C[C@]1(CCCC(=O)NNc2ncc(F)cn2)NC(=O)NC1=O 1324521298 TYPPORWCQVCMEH-GFCCVEGCSA-N 310.289 -0.173 50 20 DBGD O=C1COc2c(cccc2NC(=O)C(=O)NNC(=O)C2CC2)N1 1324598858 MJEYFVHLPLTYJD-UHFFFAOYSA-N 318.289 -0.487 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1nccs1 1325468099 PXHPEISQXWJBNU-UHFFFAOYSA-N 323.334 -0.004 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1cc(C2CC2)nn1 1325725172 GJNVQTJJYMKILU-QMMMGPOBSA-N 309.326 -0.355 50 20 DBGD Cc1nc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)sc1C 1326721907 XOZCFQJFYRWNFN-UHFFFAOYSA-N 322.350 -0.188 50 20 DBGD CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)CS(C)(=O)=O 1336014393 HFGGBQMDQSJVDN-SNVBAGLBSA-N 305.400 -0.701 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)N[C@H]1CCS(=O)(=O)C1 1340020818 MYOWLWLFLPIMFH-LPEHRKFASA-N 301.368 -0.450 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)N[C@@H]1CCS(=O)(=O)C1 1340020819 MYOWLWLFLPIMFH-OPRDCNLKSA-N 301.368 -0.450 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)N1CCc2cc(F)ccc21 1340070500 XFEZZVGPWKQWED-UHFFFAOYSA-N 309.253 -0.965 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1c(C)nc2ccccn12 1593907895 BGTAIDDCHZUHKN-SNVBAGLBSA-N 306.278 -0.497 50 20 DBGD COc1ccc2c(c1)CC[C@@H](NC(=O)NNC(=O)C(=O)O)C2 1599627259 FHCKKLCZBSAKRH-SNVBAGLBSA-N 307.306 -0.033 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](O)C[C@H]2C(=O)O)cc1 1600341706 WUMKYCHCDCGQKR-RYUDHWBXSA-N 321.333 -0.724 50 20 DBGD Cc1oc(C(=O)O)cc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1600828638 WVWAPGLWXVSBJX-ZCFIWIBFSA-N 317.323 -0.326 50 20 DBGD O=C(O)Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1602125144 RMVMZVDOMVXLBZ-JTQLQIEISA-N 320.305 -0.255 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)N1 1606856113 RMNUZUAZNZUKMV-VIFPVBQESA-N 323.338 -0.999 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1 1609481117 XSQCKMLVMKNSQR-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD CN(C)S(=O)(=O)CCNS(=O)(=O)CBr 231025178 HXROMGMDWIFCQJ-UHFFFAOYSA-N 309.207 -0.850 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1cccc([N+](=O)[O-])c1 264992244 HKFCLEBKKUVZOK-UHFFFAOYSA-N 322.281 -0.227 50 20 DBGD COC[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1ccco1 266988841 WXTHQNCISITUQU-JTQLQIEISA-N 324.337 -0.080 50 20 DBGD Cc1nnnn1-c1cccc(NC(=O)NNC(=O)CN(C)C)c1 274135322 CMBPGXLQQWVBMJ-UHFFFAOYSA-N 318.341 -0.315 50 20 DBGD Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)C(C)(C)O 278066045 ZACFGOVREOSEOR-UHFFFAOYSA-N 307.310 -0.085 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293867942 IVPXLUVIMIXVNZ-JQWIXIFHSA-N 323.349 -0.033 50 20 DBGD COC(=O)NNC(=O)CNS(=O)(=O)c1cc(C)ccc1C 490579438 TXQVQPAQMKEHSB-UHFFFAOYSA-N 315.351 -0.031 50 20 DBGD CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584994134 YFOPGNYAEXHCNS-JTQLQIEISA-N 308.118 -0.896 50 20 DBGD CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584998127 ASVTXLIPJJQLIE-CYBMUJFWSA-N 319.170 -0.758 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1 585021936 FVBBNBCPOJJQOM-ZIAGYGMSSA-N 308.162 -0.542 50 20 DBGD O=C(Cn1c(=O)nc(O)c2ccccc21)N1CC[C@H](B(O)O)C1 585078961 QIVWEYFEXFXICQ-VIFPVBQESA-N 317.110 -0.823 50 20 DBGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)c2cnn[nH]2)c1 729457501 OMTZSIRZYQTOBD-UHFFFAOYSA-N 306.238 -0.204 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ccnc(N(C)C)n1 746892141 NMFMCWUVAAFCGP-MRVPVSSYSA-N 301.372 -0.334 50 20 DBGD O=C(NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CCC1 749991290 UICOURCTHDCYBY-NSHDSACASA-N 324.362 -0.336 50 20 DBGD C[C@]1(NNC(=O)NC[C@]2(C)CCCO2)CCS(=O)(=O)C1 756084317 KRANYCCJNFWYTN-RYUDHWBXSA-N 305.400 -0.064 50 20 DBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)O1 756923448 ZZPVFKDNNXRCPP-AEJSXWLSSA-N 319.383 -0.539 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccnc1-c1ccccc1 764421714 QZYAUAGDBYNYCN-UHFFFAOYSA-N 314.301 -0.173 50 20 DBGD CCN(CC)Cc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764422238 WUADEZQDRIBIAD-UHFFFAOYSA-N 322.365 -0.393 50 20 DBGD CCOC(=O)c1nn(C)cc1C=NNC(=O)N1CCOCC1 769781036 VCAHCSVWYDTTHI-UHFFFAOYSA-N 309.326 -0.028 50 20 DBGD COCCN1CC[C@H](NS(=O)(=O)CBr)C1 780866364 SUPQPDJLUBREMH-QMMMGPOBSA-N 301.206 -0.021 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1(N(C)C)CCC1 783005698 DLIYCYBEZGCXKZ-LLVKDONJSA-N 316.402 -0.147 50 20 DBGD O=C1NC(=O)C(=NNC(=O)c2ccc(O)c(Cl)c2)C(=O)N1 814223331 RKFGZKPBDBKLIP-UHFFFAOYSA-N 310.653 -0.503 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCNC2=O)c(OC)c1 826646778 KIYGRPBXLVPWQT-SNVBAGLBSA-N 307.306 -0.399 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)C[C@H]1COCCO1 852394277 OTJLTTFKJMHDKU-DCAQKATOSA-N 301.343 -0.501 50 20 DBGD CN(NC(=O)C(=O)C1CCSCC1)C(=O)N1CCNCC1 857766641 STBIOYIXANUOPR-UHFFFAOYSA-N 314.411 -0.313 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1(F)F 858700532 NTVZJUWOXJJCJT-HTQZYQBOSA-N 304.297 -0.017 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2O)N1 862460329 FYGWTLNPOLPVAN-QMMMGPOBSA-N 308.250 -0.660 50 20 DBGD COCCOCC(=O)NNC(=O)CNc1ccccc1OC 869909419 VUMRHJUZYNQFER-UHFFFAOYSA-N 311.338 -0.083 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)NCC1CC1 920858941 WTJSNOVSRNEJFL-UHFFFAOYSA-N 304.372 -0.848 50 20 DBGD CN1CCC[C@@H](N2CCN(CC(=O)NNC(=O)C3CC3)CC2)C1 1319384367 IRLDDTPEWQOGMI-CQSZACIVSA-N 323.441 -0.744 50 20 DBGD COC(=O)c1sccc1NC(=O)C(=O)NNC(=O)CCO 1320236985 IKIRTQDTDQPLIX-UHFFFAOYSA-N 315.307 -0.997 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CC[C@@H]1NC(=O)NC1=O 1321718919 YMXQEEMORJXCFG-LURJTMIESA-N 301.372 -0.732 50 20 DBGD CNC(=O)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 1322227192 ZABVKJGYHBPUOZ-JTQLQIEISA-N 304.306 -0.534 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 1323967508 KPGSJYWFODZXKZ-UHFFFAOYSA-N 321.293 -0.244 50 20 DBGD CNC(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 1324502250 KTQDSGJNLUBCJD-WEDXCCLWSA-N 315.399 -0.328 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nnc(O)n2c1 1326380552 HZHAQVAQMOIGIZ-APPZFPTMSA-N 305.294 -0.379 50 20 DBGD O=C(CN1CCN(C[C@H]2CCOC2)CC1)NNC(=O)C1CC1 1334727369 FXCBZXOLSKCKJQ-GFCCVEGCSA-N 310.398 -0.802 50 20 DBGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1339375181 DKMCFNSOKNTDEF-IGLBNKAOSA-N 312.347 -0.307 50 20 DBGD C[S@](=O)CCCNC(=O)NNC(=O)c1cccc(F)n1 1343078728 CMKXUQDHHZOCGW-FQEVSTJZSA-N 302.331 -0.067 50 20 DBGD N#Cc1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)nc1 1346674700 ZSOJSNLQKQIVMQ-UHFFFAOYSA-N 316.321 -0.594 50 20 DBGD O=C(CS(=O)(=O)C1CC1)NNc1ccc(-c2nn[nH]n2)cn1 1592899481 DZXOOXSMBRQONF-UHFFFAOYSA-N 323.338 -0.718 50 20 DBGD C[C@@H](NNC(=O)CN1CCC[C@H](C(=O)O)C1=O)C(F)(F)F 1593318793 KDMMETCYYWEDJC-RQJHMYQMSA-N 311.260 -0.119 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[C@H]1C(=O)O 1599923957 QBKXZTYRLFFBTE-WCBMZHEXSA-N 309.102 -0.312 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2ccc(C(=O)O)cn2)n[nH]1 1600186987 DMTPIDLPGKSTOU-UHFFFAOYSA-N 303.278 -0.185 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)c2ccc(=O)n(C)n2)c1 25168514 PLPKXNFIKKHZIK-UHFFFAOYSA-N 315.333 -0.079 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)NC(C)=O)c1 27598791 TVJDZVZHHWKRAP-QMMMGPOBSA-N 309.322 -0.011 50 20 DBGD Cc1cc(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)[nH]n1 48824118 FMOQNRQDCJKWQL-MRVPVSSYSA-N 300.340 -0.696 50 20 DBGD CNC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1 57292317 XKUPYXUYUOZFTL-UHFFFAOYSA-N 300.340 -0.685 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1=O 491013390 UGWQATVHKJRFJV-IGLBNKAOSA-N 301.306 -0.409 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1 492786998 AYPBNCGIVYRHEA-UHFFFAOYSA-N 314.342 -0.863 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)OC[C@H]2C1 493941525 LNWNQAHWDNGGCV-GHMZBOCLSA-N 312.370 -0.295 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)nc1 494469528 LCNONKMDKGJVRM-UHFFFAOYSA-N 303.296 -0.192 50 20 DBGD C[C@H](CCN1CCOCC1)NC(=O)c1ccc(B(O)O)cc1 584942988 ARLWMPMFWMUPQZ-GFCCVEGCSA-N 306.171 -0.793 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)CN1CCOCC1 584950090 PGTPOIVEKYOJLP-LLVKDONJSA-N 324.161 -0.796 50 20 DBGD CCN1CCC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584968660 MDEYBCVIEUZZBR-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1=CCN(C)CC1 584971968 JDYKTGQHPNSBBG-JTQLQIEISA-N 306.146 -0.114 50 20 DBGD CCC(CC)(CNCc1ccc(B(O)O)o1)S(C)(=O)=O 585027769 ZOVZYFHEIDZUDN-UHFFFAOYSA-N 303.189 -0.348 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCCOc1cccnc1 742488284 HREOXFAOGHRXSM-UHFFFAOYSA-N 308.338 -0.087 50 20 DBGD Cc1ccc([C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)o1 758049166 YOFJDFFZQQIMGO-IUCAKERBSA-N 317.367 -0.223 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)o1 768262455 WYNBGTZTNSFFDM-UHFFFAOYSA-N 319.339 -0.938 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(=O)c1cnn(C)c1 772066776 SDDYTGKSRUDBLO-SECBINFHSA-N 324.337 -0.272 50 20 DBGD Cc1ccccc1NC(=O)NNC(=O)CN1CCN(C)C(=O)C1 798309337 KQUMSLYWHGEADX-UHFFFAOYSA-N 319.365 -0.078 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 799122560 SMVMJRSZQGPOEJ-UHFFFAOYSA-N 320.758 -0.049 50 20 DBGD CNC(=O)CSCC(=O)NNC(=O)c1cccc(C#N)c1 799308774 SGSRNDZXCRNLME-UHFFFAOYSA-N 306.347 -0.202 50 20 DBGD Cn1cncc1CC(=O)NNC(=O)COc1ccccc1O 806817711 HNLGZFJVOZRNJO-UHFFFAOYSA-N 304.306 -0.105 50 20 DBGD Cc1cc(C)nc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)n1 823899019 PRQAPJDKUFIZAY-SECBINFHSA-N 306.326 -0.133 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C(N)=O)c1ccccc1 825659930 CIWPORUAFDMWRP-WCQGTBRESA-N 320.349 -0.032 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826602273 CZDFUFBCCLYIJZ-IVZWLZJFSA-N 300.359 -0.391 50 20 DBGD COC(=O)c1ncoc1CCC(=O)NNC(=O)c1cc(C)[nH]n1 831424625 OYWOPULBMAQLNL-UHFFFAOYSA-N 321.293 -0.113 50 20 DBGD O=C(O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@H]2COCCO2)C1 833183432 FCVCCAYBABKHKT-OPRDCNLKSA-N 300.311 -0.560 50 20 DBGD C[C@@H](CN)CNC(=O)NNC(=O)COc1ccccc1C#N 841961832 FGDDMYGOSHNBDV-JTQLQIEISA-N 305.338 -0.138 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](c1cncn1C)N(C)C 843970865 MHCLDOVKUIZHLQ-JBLDHEPKSA-N 309.370 -0.405 50 20 DBGD C=CCNC(=S)NNC(=O)CCN1C(=O)CCNC1=S 847285258 FZPZGOOFKOTNBI-UHFFFAOYSA-N 315.424 -0.835 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCNC(=O)NC 854388188 ANTWPGJUHGIHSH-UHFFFAOYSA-N 304.347 -0.758 50 20 DBGD CC[C@H](C)[C@@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)OC 863865672 JKCKKIRDWMJXSQ-IINYFYTJSA-N 323.154 -0.551 50 20 DBGD CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B(O)O)cc2)C1 863872590 IXOOBBJKEQTLFZ-UHFFFAOYSA-N 320.154 -0.285 50 20 DBGD O=C(CNC(=O)c1ccc(B(O)O)cc1)OC1CCCCC1 863877536 ZPKLLXVPISLVRD-UHFFFAOYSA-N 305.139 -0.028 50 20 DBGD O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(B(O)O)c1 863878148 LSWDMERKXPVDSR-ZIAGYGMSSA-N 317.150 -0.423 50 20 DBGD O=C(NNC(=O)C1CC1)c1cccn1CCN1CCOCC1 905089920 PZVRALCQMKQDBQ-UHFFFAOYSA-N 306.366 -0.009 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)NC2)cc1 915685358 WZZPMPAHEADXLF-LLVKDONJSA-N 316.317 -0.389 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCCO1 921166969 VNNQQCOAYPBISN-MNOVXSKESA-N 315.370 -0.367 50 20 DBGD COC(=O)C(=O)NN=C(CNS(C)(=O)=O)c1ccccc1 1116428670 PDJKMGYJHIVDCA-UHFFFAOYSA-N 313.335 -0.771 50 20 DBGD C[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccco1 1318688616 LABMUCJTPHZNQX-RKDXNWHRSA-N 315.351 -0.099 50 20 DBGD C[C@H](CNC(=O)NNC(=O)CC(F)(F)F)S(C)(=O)=O 1319468148 OMLXZFLLJUKQPS-RXMQYKEDSA-N 305.278 -0.298 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 1323940810 KKVBINXEAUBWTP-UHFFFAOYSA-N 308.269 -0.184 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1snnc1C 1324087537 IRBLTTXHIRQCNR-QMMMGPOBSA-N 317.371 -0.272 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCS1(=O)=O 1329169068 NSNOKKWECGSLHN-SFYZADRCSA-N 306.340 -0.947 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NNc2cccc(Cl)n2)N1 1329754193 LHASZFAUYLASCL-ZCFIWIBFSA-N 312.717 -0.329 50 20 DBGD COCc1ncc(C(=O)NNC(=O)CS(C)(=O)=O)s1 1331737028 TZLYPTXLRFGUJV-UHFFFAOYSA-N 307.353 -0.905 50 20 DBGD CO[C@@]1(C(=O)NNc2cccc(F)n2)CCS(=O)(=O)C1 1332844403 ZQUWGAGYMDNGMQ-NSHDSACASA-N 303.315 -0.133 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Sc1nncn1C 1338843017 BVBVPIZIZSRNRF-ZETCQYMHSA-N 309.355 -0.212 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C)C2)cc1 1340569854 AJHQRFJRQRYGEQ-JTQLQIEISA-N 306.322 -0.130 50 20 DBGD Cn1nncc1NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1 1343519409 IDSBARDJZARCIC-UHFFFAOYSA-N 322.712 -0.132 50 20 DBGD CN1CCC(=O)Nc2cc(C(=O)NNC(=O)[C@@H]3CCN3)ccc21 1578523596 OIXCADCYBBWZEZ-JTQLQIEISA-N 317.349 -0.412 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)Nc1ccc(-c2nn[nH]n2)cn1 1582561862 XREFRLGLGMCZAI-UHFFFAOYSA-N 314.269 -0.549 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=S)NCCc1cccs1 1593912171 YXRKMMFJMBCQHU-QMMMGPOBSA-N 317.392 -0.115 50 20 DBGD Cc1noc(-c2ccc(CNC(=O)NNC(=O)C(=O)O)cc2)n1 1600803532 NTQWQXUJLDENRF-UHFFFAOYSA-N 319.277 -0.040 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1606698471 LLXCERPACDSGOG-UHFFFAOYSA-N 319.203 -0.034 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1n[nH]c2ccccc2c1=O 186121624 DGCCCAXPEYTWQT-UHFFFAOYSA-N 312.289 -0.350 50 20 DBGD O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C1CC1 275789235 KRHRGWAVCLIHLZ-STQMWFEESA-N 321.377 -0.015 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)NCC1CC1 276309856 LXPYERBQWZENAQ-UHFFFAOYSA-N 309.297 -0.122 50 20 DBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)cs1 292400206 XDKGNJQARRRUMD-SSDOTTSWSA-N 320.348 -0.065 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)NC1CC1 299248245 NUKQXDCFRZMQMP-RNFRBKRXSA-N 308.260 -0.064 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 584958910 UZUPTORAJPNOJN-UONOGXRCSA-N 323.129 -0.475 50 20 DBGD CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1ccc(B(O)O)c(F)c1 585000017 IONZZWRNSDMFTM-NSHDSACASA-N 322.145 -0.365 50 20 DBGD C[C@H]1NC(=O)CC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 585002294 SLWXJCYNZYEPKI-SCZZXKLOSA-N 308.118 -0.850 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)c1cc(OC)cc(OC)c1 754974852 SNBNOAUYOCYHSN-CQSZACIVSA-N 312.322 -0.138 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 756817721 YUCQEZVFJDFJAP-VIFPVBQESA-N 320.305 -0.963 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)COc1ccc(F)cc1 757762234 QGQPCGBOQMYLRW-UHFFFAOYSA-N 308.273 -0.392 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2nc3ccccc3[nH]2)c1=O 768516000 XYDANFFZRWCWBI-UHFFFAOYSA-N 314.305 -0.433 50 20 DBGD C[C@H](NC(=O)NNC(=O)CC(F)(F)F)[C@@H]1CN(C)CCO1 770437798 MGNOXNMXFZQOFX-YUMQZZPRSA-N 312.292 -0.012 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccncn1 777623012 KQQALRXLADOTBK-UHFFFAOYSA-N 305.319 -0.271 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1COC(C)(C)O1 783268916 JIHKBTQHJDWUJW-NXEZZACHSA-N 319.358 -0.480 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CCn2cnccc2=O)cc1 794260007 CIYDDLGURBTHGJ-UHFFFAOYSA-N 311.301 -0.034 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c[nH]c2cccnc12 798153670 ZBWMVGAYWWTXPL-QMMMGPOBSA-N 322.346 -0.241 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1COc2ccccc2O1 822232502 MFSNJEAHJXQTMW-JTQLQIEISA-N 321.333 -0.112 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1sccc1S(=O)(=O)N(C)C 823960292 ZFCQZSIVCQFDLK-QMMMGPOBSA-N 321.424 -0.044 50 20 DBGD CC(C)CCC(=O)NNS(=O)(=O)c1cnn(CC(=O)O)c1 826845277 SPRYTBGJZYRTCR-UHFFFAOYSA-N 318.355 -0.287 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)c1cccc(N(C)C)c1 845552328 CSMZWDGNQLBOOK-UHFFFAOYSA-N 323.353 -0.236 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)c2ccccn2)CC1 849303921 ACBHOZWCYGZAOC-UHFFFAOYSA-N 314.367 -0.328 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CN(C)CCO1 854282702 QTHAIHDKDMNIPL-JTQLQIEISA-N 304.416 -0.809 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc3cccnn23)CC1 854381341 HRRAWBICFXULOG-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 858571674 JCPIXARYMQAGST-XHNCKOQMSA-N 302.331 -0.850 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1[C@@H]1CCCO1 858701652 YFRCUTSOBVZCCB-JBLDHEPKSA-N 324.381 -0.105 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1[N+](=O)[O-] 862450107 ODELOHHTGGYSLA-VIFPVBQESA-N 306.278 -0.057 50 20 DBGD Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453131 RRVJENHTAYQFLW-MRVPVSSYSA-N 307.354 -0.243 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2OCCc3ccccc32)N1 862457800 RABBPHKVVHHDJB-AAEUAGOBSA-N 303.318 -0.274 50 20 DBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccc(-n2cnnn2)cc1 863188670 ZVXAJFGIIRFHEI-UHFFFAOYSA-N 322.350 -0.453 50 20 DBGD CCOC(=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CCC1 863873242 CANWXHYYAPSGPA-UHFFFAOYSA-N 323.129 -0.031 50 20 DBGD Cn1c(=NNC(=O)CN2CCNC(=O)C2)sc2ccccc21 900091342 YETAUGCIGGAVNY-UHFFFAOYSA-N 319.390 -0.397 50 20 DBGD CNC(=O)NNC(=O)c1cn(C)nc1I 906395453 UHNLWPFYVHWPMK-UHFFFAOYSA-N 323.094 -0.402 50 20 DBGD CC(C)N1C[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 1118123772 PEVJRPDIDMFPTO-AXFHLTTASA-N 312.370 -0.249 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(OCC3CC3)nc2)N1 1119279216 GFHSMWUHVBNKHL-LLVKDONJSA-N 318.333 -0.090 50 20 DBGD Cn1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)n1 1253704282 WZULKCAFUHOEJQ-XBXARRHUSA-N 301.266 -0.358 50 20 DBGD C[C@@H]([C@@H](C)N(C)C(=O)NNC(=O)c1cn[nH]c1)S(C)(=O)=O 1261792203 PRUXXPUANUGBFR-SFYZADRCSA-N 317.371 -0.483 50 20 DBGD CCCNC(=O)NNC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1318302874 SOOXXEKHLLHMIV-UHFFFAOYSA-N 306.326 -0.386 50 20 DBGD CCC[C@@H](O)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319399765 LMFZHBLPZSEVTP-RKDXNWHRSA-N 307.372 -0.945 50 20 DBGD COCc1nc(C)c(C(=O)NNC(=O)C(=O)NC(C)C)s1 1319517156 GQJXGIYVRBHQNH-UHFFFAOYSA-N 314.367 -0.116 50 20 DBGD Cn1ncc(Cl)c1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1320494029 KBXXPSMYDRDLED-ZETCQYMHSA-N 304.759 -0.042 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(O)nc(C2CC2)n1 1329897083 CANZILUBCFUQIA-UHFFFAOYSA-N 302.294 -0.214 50 20 DBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)NCC(F)(F)F 1330303962 KKMCAGARAXLQQH-SSDOTTSWSA-N 318.060 -0.837 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC2 1331804408 VIPZINKIEJRPLU-KOLCDFICSA-N 305.338 -0.820 50 20 DBGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1335330249 SCZGDYVMCTUYJK-KPWVOAKYSA-N 323.374 -0.608 50 20 DBGD Cc1nnnn1-c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 1335431329 IMNMIZQUJORWNT-NSHDSACASA-N 301.115 -0.340 50 20 DBGD O=C(NCCO[C@H]1CCOC1)NNC(=O)C1CCOCC1 1350986973 GPSQHSJHIDDQAX-NSHDSACASA-N 301.343 -0.451 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)COCC(=O)O 1574239492 VYBGFXOTOSJDMT-UHFFFAOYSA-N 311.294 -0.644 50 20 DBGD COc1ccnc(NNC(=O)C2([S@](C)=O)CCNCC2)n1 1579317286 POHDMXQDSMSFCN-NRFANRHFSA-N 313.383 -0.571 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@@]12CNC[C@@H]1CCOC2 1580558240 RTQAEIZNTSUSIZ-BLLLJJGKSA-N 318.377 -0.128 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1591195064 QQNBQVVXSSKYIQ-SECBINFHSA-N 304.314 -0.965 50 20 DBGD Cn1nnnc1CCNC(=O)NNc1ccc(CC(=O)O)cc1 1601046155 LVOKMGUZWRHKCU-UHFFFAOYSA-N 319.325 -0.294 50 20 DBGD Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1C(=O)O 1607819416 OUEGICZYAUUZQR-SECBINFHSA-N 313.140 -0.069 50 20 DBGD CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 36748003 DAPPRFHWUHGICD-UHFFFAOYSA-N 321.305 -0.200 50 20 DBGD CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 45826689 KKWVGQIUWVRLBN-SNVBAGLBSA-N 319.317 -0.022 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2ccc(F)cc2)cn1 172233291 FUXVUFWCFZZTBR-UHFFFAOYSA-N 319.296 -0.250 50 20 DBGD Cc1cccnc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 276013938 BIPAEXUTQGARNS-QMMMGPOBSA-N 315.355 -0.520 50 20 DBGD O=C(COc1ccccc1O)NNS(=O)(=O)C1COC1 277058419 MVUZNWUUGKUTQS-UHFFFAOYSA-N 302.308 -0.880 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)n1 282268147 PHZGRBVHVPIDSD-XCBNKYQSSA-N 308.342 -0.056 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)c1ccccc1 299016474 ONYLOEAUCRESFL-UHFFFAOYSA-N 311.363 -0.127 50 20 DBGD CCOC(=O)NNC(=O)Nc1cnn(CC(=O)NC2CC2)c1 494471390 PNAZVBXLWSRBBO-UHFFFAOYSA-N 310.314 -0.056 50 20 DBGD Cn1nnnc1SCCC(=O)Nc1cccc(B(O)O)c1 584909465 DPGBRCQVRXCTSZ-UHFFFAOYSA-N 307.144 -0.989 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN[C@H](c2cccnc2)C1 584986769 MKOOTJACHBIJJZ-HNNXBMFYSA-N 311.150 -0.452 50 20 DBGD CC(C)c1nc2n(n1)C[C@H](NCc1ccc(B(O)O)o1)CC2 585021855 OXKWFXATTLTLEX-SNVBAGLBSA-N 304.159 -0.221 50 20 DBGD O=S(=O)(CCc1ccccc1Br)NCB(O)O 585059309 IVBSAVIRAGETCS-UHFFFAOYSA-N 321.989 -0.077 50 20 DBGD C=CCCO[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276299 BSVZDSBOXKGYQU-IUCAKERBSA-N 307.372 -0.947 50 20 DBGD C[C@@H](C#N)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 733885339 ZRILEEACSYWGPL-QMMMGPOBSA-N 309.351 -0.100 50 20 DBGD Cn1c(NNC(=O)CSCC(N)=O)nc2ccccc2c1=O 735659303 VCWQOYYOIXFIPV-UHFFFAOYSA-N 321.362 -0.405 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 746013011 SCAUADCICJRXLO-UHFFFAOYSA-N 314.367 -0.147 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)Cn1cnc([N+](=O)[O-])n1 749799102 XFRJZBRILGWTTR-UHFFFAOYSA-N 318.293 -0.034 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1CC(O)C1 759873954 CITKWESOEKGQJE-UHFFFAOYSA-N 302.334 -0.226 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC[C@@]1(C)CCC(=O)N1 772237692 PYWCLYHAZLTEHY-YMTOWFKASA-N 313.354 -0.076 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)C(C)(C)C)O1 774714464 BVBKXBSUYHJORQ-UWVGGRQHSA-N 314.386 -0.001 50 20 DBGD CN1CC[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1=O 776173595 ZCDQSLMTSFBTHY-JTQLQIEISA-N 320.353 -0.765 50 20 DBGD COc1cc(C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O)ccn1 782221277 KNBNWRGKOWVKLT-SECBINFHSA-N 314.367 -0.132 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1CCN(C)C 782702478 NKHWCWPOMBQVQH-UHFFFAOYSA-N 322.365 -0.477 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C[C@@H](C)O)[C@@H](C)CO)c1 785538874 YEUNQZYOUXVLMP-QWHCGFSZSA-N 323.393 -0.180 50 20 DBGD O=C(COC(=O)CCn1ccnn1)NNC(=O)c1ccccc1 787628724 TXEIGCNADPIFFB-UHFFFAOYSA-N 317.305 -0.327 50 20 DBGD O=S(=O)(CBr)NC[C@H](CO)[C@@H]1CCOC1 795392704 HWQKWIVOZUZROS-HTQZYQBOSA-N 302.190 -0.097 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1C 802027446 HPWQUZYQOLEADF-UHFFFAOYSA-N 316.321 -0.319 50 20 DBGD CCNC(=O)N(C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 825470233 AHSDKRFKHCDONH-UHFFFAOYSA-N 319.325 -0.062 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826423957 POLWILGSKJGXQB-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1([S@](C)=O)CC1 826711066 WIXYLJNIPIHFLZ-FRUKKLPWSA-N 303.384 -0.347 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCOC1)[C@H]1COc2ccccc2O1 840238922 JLORXMUNPNSCGM-RISCZKNCSA-N 308.290 -0.875 50 20 DBGD O=C(NCC[C@]1(O)CCCOC1)NNC(=O)[C@H]1CCCCO1 845720694 HCXKHMMOKFBRJZ-BXUZGUMPSA-N 315.370 -0.183 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)c1 845928400 MPGANSGVGNRXHQ-SNVBAGLBSA-N 313.335 -0.392 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)CC1 854378743 AHCNXVZRWGMSTC-AWEZNQCLSA-N 320.393 -0.032 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2Cc3ccccc3O2)N1 858134235 MPBOGKCOEVMHSX-MNOVXSKESA-N 318.333 -0.401 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2nnc(C3CC3)s2)N1 860267213 LYNZUGXFXXRVTF-LURJTMIESA-N 310.339 -0.153 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 862961585 YBEMNEXYBGLQIU-QBFSEMIESA-N 322.365 -0.373 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 863874327 PEGTXFBQWDLHHP-CABCVRRESA-N 318.182 -0.962 50 20 DBGD NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1 917360080 UKVTWDCUEZOCOZ-UHFFFAOYSA-N 316.111 -0.539 50 20 DBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 920240579 XWBKEOQFDGKAOY-JTQLQIEISA-N 320.415 -0.213 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCOc1ccc(Cl)cn1 1116279907 OIZAOOCWYCJWAR-UHFFFAOYSA-N 316.701 -0.383 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1118314081 LIRZRWHLQANYDD-DTWKUNHWSA-N 301.310 -0.383 50 20 DBGD CCCCn1cc(CNC(=O)NNC(=O)C(=O)OC)c(C)n1 1254129302 FZUBOBJRJLCCDR-UHFFFAOYSA-N 311.342 -0.005 50 20 DBGD Cc1cc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)no1 1318147067 IFBIQYXQFVFHNG-UHFFFAOYSA-N 321.293 -0.164 50 20 DBGD Cc1cc(NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)ncn1 1318530012 UZFBXOJRNUQGIE-JTQLQIEISA-N 313.383 -0.653 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1c[nH]c2ncccc12 1319242945 AZNKWHZHPKJFGI-UHFFFAOYSA-N 303.322 -0.223 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 1319751277 AEJLAQYGXDRLFC-ZWNOBZJWSA-N 301.343 -0.309 50 20 DBGD CCc1nn(C)cc1NC(=O)C(=O)NNc1nccnc1OC 1321205576 WTTWSXBJFXXFFG-UHFFFAOYSA-N 319.325 -0.137 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1326364030 NSUURSWUMZNGKJ-AEJSXWLSSA-N 307.354 -0.508 50 20 DBGD CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1330029893 WVJFJWLQFYSAFV-MXWKQRLJSA-N 312.370 -0.201 50 20 DBGD C[C@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 1337274321 LQAWEFOTOAXBFS-VHSXEESVSA-N 309.322 -0.028 50 20 DBGD CCNC(=O)NNC(=O)COCC(=O)NCc1cccnc1 1338730176 YFSOKXQXIOIEAZ-UHFFFAOYSA-N 309.326 -0.935 50 20 DBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1349432139 FHRZSANEIFBRQV-UWVGGRQHSA-N 308.338 -0.208 50 20 DBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1593927001 RXOZSGRPQLGLRK-HZMBPMFUSA-N 324.289 -0.537 50 20 DBGD O=C(Cc1ccccc1O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594710876 BOCBGNOXNJAHCX-SNVBAGLBSA-N 307.262 -0.688 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1ccc(C(=O)O)c(F)c1 1599758928 AVMPSYMINGDYAL-UHFFFAOYSA-N 319.314 -0.094 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1604354932 HBLVJKDKMXLLTO-UHFFFAOYSA-N 311.327 -0.621 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)CC(C)(C)C(=O)O 1604834722 MCTKENYAUWMVOA-SFYZADRCSA-N 308.356 -0.527 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CC1)[C@H]1CCN1C1CCOCC1 1605814528 FVZXUBJXVQDYMX-SNVBAGLBSA-N 311.338 -0.748 50 20 DBGD COc1ccc2c(c1)[C@H](NC(=O)NNC(=O)C(=O)O)CCO2 1607298470 UJFFLOGENIOBLH-SECBINFHSA-N 309.278 -0.066 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)N2CCOCC2)c1 1608762999 FDOFSZQANQJSPC-UHFFFAOYSA-N 323.305 -0.163 50 20 DBGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783046642 RLFCXRVCVBNDLB-GXFFZTMASA-N 300.742 -0.951 50 20 DBGD CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1786392999 YXHCDNGVLFMHIO-BJDJZHNGSA-N 318.801 -0.024 50 20 DBGD C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790789667 JIFSYZLXGIERJX-BJDJZHNGSA-N 314.769 -0.801 50 20 DBGD Cc1cc(C(=O)NNC(=O)CN(C)C)ccc1-n1cncn1 175946546 AHEZLLZKUSPMOY-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD C[C@H]1C(=O)Nc2cc(C(=O)NNC(=O)C(C)(C)O)ccc2N1C 277997078 QHXSJKMLQHZVNB-QMMMGPOBSA-N 320.349 -0.005 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cncn2C)C[C@@H](C)O1 289464523 YMSGRSMMBZHHBV-PHIMTYICSA-N 309.370 -0.320 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN1CCc2ccccc21 299382813 NRBOPRJYNALTCL-UHFFFAOYSA-N 304.350 -0.279 50 20 DBGD N#Cc1ccc(N2CC[C@@H](C(=O)NNC(=O)CO)C2)c(F)c1 367589174 OOQPBSNDLHKPDS-SNVBAGLBSA-N 306.297 -0.337 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCN(CC2CC2)CC1 584933200 YCNLDQJTTWQODQ-UHFFFAOYSA-N 306.146 -0.327 50 20 DBGD CC[C@H](CCNC(=O)c1cccc(B(O)O)c1)N1CCCC1=O 584939186 GQPHWRSERPKKKJ-CQSZACIVSA-N 318.182 -0.113 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@H]([C@H]2CCCO2)C1 584958972 WLMLLTYLAOLVNL-KGLIPLIRSA-N 305.139 -0.614 50 20 DBGD Cn1ncc(N2CC[C@H](B(O)O)C2)c(Br)c1=O 585073531 MEWQRLRYTMGPSQ-LURJTMIESA-N 301.937 -0.404 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)s1 729345519 OBHXFZQSMKNUFB-UHFFFAOYSA-N 306.369 -0.251 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](CO)C2)c1 746463991 ZRHHBHHJOOZGEL-GFCCVEGCSA-N 302.334 -0.367 50 20 DBGD Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NNC(=O)CO 764420348 DYMRZRGFLFKREG-UHFFFAOYSA-N 309.326 -0.844 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CO)c2cccnc12 764421559 MOJDFLAYXPUSQU-UHFFFAOYSA-N 318.289 -0.678 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 764421613 PIANBBITXNQXOO-UHFFFAOYSA-N 319.239 -0.130 50 20 DBGD O=C(NN=C1CCN2CCC[C@H]12)N[C@@H]1CCS(=O)(=O)C1 765573178 XKIMRGNQNYDYAV-MWLCHTKSSA-N 300.384 -0.303 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 773658964 QQILUGSCZVVTAR-UHFFFAOYSA-N 322.325 -0.221 50 20 DBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNc1ncccn1 777274301 JGHBDJVRQWPDFO-GHMZBOCLSA-N 311.342 -0.077 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)N1CC[C@@H](C)C1 777934851 YHKQPKWHCDWOKN-SECBINFHSA-N 320.415 -0.501 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H]2CCCN(C)C2=O)n1 792984255 GKCNAVZRZYLMJY-NSHDSACASA-N 305.338 -0.045 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(S(N)(=O)=O)s1 798306180 ACDCERUWVGOKDF-UHFFFAOYSA-N 320.421 -0.310 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCCC(N)=O)cc1 801106785 HCSHNTNOSLIJCE-UHFFFAOYSA-N 306.322 -0.263 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)COCc1ccccc1 805139922 CGOVHHTUSWHFFF-UHFFFAOYSA-N 319.321 -0.827 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 822688897 CMBMQUDUSZJDAZ-UHFFFAOYSA-N 314.309 -0.382 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)c1cnn(C)c1 823703681 JGQWSZANVABWCM-UHFFFAOYSA-N 305.342 -0.747 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)Cc1cccnc1)C(C)=O 826123504 PRIATHPDLYJTIL-GFCCVEGCSA-N 321.333 -0.070 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H](CC(C)C)C(N)=O 840408091 CZSHOSOHJQTFIJ-QMMMGPOBSA-N 306.457 -0.008 50 20 DBGD COC(=O)c1ccccc1NNC(=O)[C@H]1CCS(=O)(=O)N1 845915844 TUPGHOZIQNKMBK-SNVBAGLBSA-N 313.335 -0.392 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)c1cccc(F)n1 853051707 QLSZHHRRJIJCJK-UHFFFAOYSA-N 321.330 -0.552 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 854185575 BWPXPCNFTQEVPE-SSDOTTSWSA-N 320.382 -0.349 50 20 DBGD COc1ccc(C)nc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860937561 GAIWAWXTUQPSSU-QMMMGPOBSA-N 307.310 -0.170 50 20 DBGD CC(C)CN1N=C(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1=O 862462691 ZORCXEUIADQHMJ-VIFPVBQESA-N 323.353 -0.953 50 20 DBGD Cn1c(N)c(C=NNC(=O)c2ccccc2)c(=O)n(C)c1=O 864890507 MTOQQGCOZOSMFV-UHFFFAOYSA-N 301.306 -0.570 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C1CCN(S(C)(=O)=O)CC1 1115860839 XZZSAELVCBHBSR-UHFFFAOYSA-N 305.400 -0.149 50 20 DBGD COC[C@H]1COCCN1C(=O)NNC(=O)Cc1cccnc1 1121944852 SKWDFYRIPHCDHO-LBPRGKRZSA-N 308.338 -0.288 50 20 DBGD C#CCC(C)(C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1254971043 LILQBJOTXHZCHL-SECBINFHSA-N 301.368 -0.447 50 20 DBGD C[C@@H](C(=O)NNc1nncc(N)c1Cl)N1C(=O)CCC1=O 1322645883 JZDKROHAJULDMH-YFKPBYRVSA-N 312.717 -0.307 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ncn(C)n2)cc1C 1326048154 KXVCGFPIPPFTCL-UHFFFAOYSA-N 316.321 -0.168 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCC[C@@H](S(C)(=O)=O)C1 1330144390 ZCNKNGWMRGDTER-SECBINFHSA-N 310.397 -0.510 50 20 DBGD COCc1nocc1C(=O)NNC(=O)CNC(=O)c1ccco1 1332493297 JDNWNPDUBQBTOD-UHFFFAOYSA-N 322.277 -0.395 50 20 DBGD COc1nccnc1NNC(=O)C[C@H]1CCS(=O)(=O)C1 1337980386 FDRZFQIDXXJZET-MRVPVSSYSA-N 300.340 -0.247 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1COCCN1 1573468483 MXKWFXGEKXADMM-SECBINFHSA-N 316.358 -0.963 50 20 DBGD Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)[C@@H]1CCN1 1579874079 YHGANESAMKSKCF-NSHDSACASA-N 317.353 -0.817 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)[C@@H]1CCCNC1)CC2 1579877424 MYGOIJNKKJTNPE-VXGBXAGGSA-N 305.382 -0.099 50 20 DBGD COCC#CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591361433 LVPWSYNPZKIPMC-UHFFFAOYSA-N 300.278 -0.723 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1)c1ccc(-c2nn[nH]n2)[nH]1 1593158418 SMEMTXSYEMXFBZ-QMMMGPOBSA-N 307.339 -0.149 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cnn(CCO)c1 1593163019 FNDAPARXENZOEJ-UHFFFAOYSA-N 315.297 -0.793 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2nnn(C)c2C)oc1C(=O)O 1600095512 UPWUEQDTNPGOBH-UHFFFAOYSA-N 307.266 -0.202 50 20 DBGD CN1NN=C2C1=NCC[C@H]2C(=O)NNc1ccc(C(=O)O)cn1 1606259859 TYJHHOZMBPOSDM-MRVPVSSYSA-N 317.309 -0.553 50 20 DBGD CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835199767 JBNAAUQAGBYYAC-ZYHUDNBSSA-N 308.737 -0.003 50 20 DBGD O=C(NCC(=O)N1CCCC1)NNc1nc2ccccn2n1 190741473 AVXDWHXSJBPSOC-UHFFFAOYSA-N 303.326 -0.022 50 20 DBGD COCCCOc1ccc(C(=O)NNC(=O)CN(C)C)cn1 265044421 IXKIVPKSXFEERA-UHFFFAOYSA-N 310.354 -0.181 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)[C@@H]2COCCO2)c2ccccc2N1 266706161 QOGRDFICTBKYAG-PWSUYJOCSA-N 319.317 -0.325 50 20 DBGD O=C(NCC1CC1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 276333059 RKKQBWLFHBVTOI-LBPRGKRZSA-N 319.317 -0.500 50 20 DBGD CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NN(C)C(N)=O 278463047 SENZJCBPULMUBL-MRVPVSSYSA-N 304.347 -0.042 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@]2(O)CCSC2)cc1 282641310 GOYCVEPMLKAFLK-AWEZNQCLSA-N 323.374 -0.051 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(-n2cnnn2)cc1 292679363 DWMIMLZTBLNQJG-NSHDSACASA-N 317.309 -0.006 50 20 DBGD COC(=O)NCC(=O)NNc1nccc(N2CCOCC2)n1 493285323 MBPAVDUGACZJRQ-UHFFFAOYSA-N 310.314 -0.888 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 493404008 AUEBCXRSCPQDGA-UHFFFAOYSA-N 319.251 -0.158 50 20 DBGD CC(=O)N(C)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584935437 KJDOVBCESVSYGE-UHFFFAOYSA-N 322.145 -0.412 50 20 DBGD Cc1nnc(CN(C)C(=O)c2cc(B(O)O)ccc2F)n1C 584944484 APYXDKRQXITAAG-UHFFFAOYSA-N 306.106 -0.785 50 20 DBGD COCCOC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584955391 MQWRKYKTXMFALV-LBPRGKRZSA-N 307.155 -0.509 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584955568 RNCHZVRJVQMSEI-ZMJPVWNMSA-N 305.114 -0.245 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nccs1 729277213 VOECDYACLZANDX-YFKPBYRVSA-N 307.357 -0.767 50 20 DBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 746103718 WRSKFKUAQMPDIA-MXWKQRLJSA-N 317.411 -0.559 50 20 DBGD COC(=O)C[C@H]1CSCCN1CC(=O)NNC(=O)C1CC1 746463136 KLNCAKOUSVZTAV-JTQLQIEISA-N 315.395 -0.476 50 20 DBGD COCCO[C@@H](C)C(=O)NN[C@H](C(N)=O)c1ccc(C#N)cc1 748265457 GEQMDRWXWXJKNC-GWCFXTLKSA-N 320.349 -0.243 50 20 DBGD O=C(NNC(=O)C(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 749334414 FIQLDIRWQVONPC-SCSAIBSYSA-N 306.237 -0.531 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)n1cncn1 751208593 HDIALSUYZRPWES-QMMMGPOBSA-N 322.350 -0.522 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 753070512 OANYKXWCUWBGSC-SECBINFHSA-N 320.415 -0.213 50 20 DBGD Cc1noc(C)c1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756287758 WKBDSEQZVOFELU-LURJTMIESA-N 319.343 -0.618 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1OCC1CC1 764422353 XKKOBMZYGDCOND-UHFFFAOYSA-N 307.306 -0.446 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)C1CCCC1 770147333 RJEMMYFJXWJCMS-UHFFFAOYSA-N 321.399 -0.720 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1=COCCO1 771875042 MPWLCHRHXRICNA-SECBINFHSA-N 300.311 0.000 50 20 DBGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)N1CCOCC1 786846192 WLFRRRQDRCSRTG-UHFFFAOYSA-N 309.282 -0.136 50 20 DBGD Cc1cccc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)n1 794565535 HUVSAYQVIJSKHD-UHFFFAOYSA-N 316.321 -0.866 50 20 DBGD COc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1C#N 799478999 RYGHOERPSXYTBV-SECBINFHSA-N 324.362 -0.045 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c[nH]c(C(=O)OC)c1 814531545 HHMHZDYXOUGMDV-SSDOTTSWSA-N 311.294 -0.096 50 20 DBGD CC(C)[C@@H](C(=O)NNc1cnnn1C)N1CCCS1(=O)=O 816771145 ZYDHXCDSBDGTNC-JTQLQIEISA-N 316.387 -0.682 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)OC(C)(C)C 821159818 HOASRPLXAXMEIE-YUMQZZPRSA-N 323.371 -0.463 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 826993438 PJRBEEYFZJQXII-ZJUUUORDSA-N 310.358 -0.138 50 20 DBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 833779679 WSNWZPYWKXORRX-VHSXEESVSA-N 321.399 -0.723 50 20 DBGD CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858329875 GRTJWXRWVTYXMT-DTWKUNHWSA-N 314.342 -0.815 50 20 DBGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860741131 UBHZBCVLONLWFJ-QMMMGPOBSA-N 307.310 -0.875 50 20 DBGD COCCN(C)NC(=O)c1ccc(NS(C)(=O)=O)nc1 861657540 ZKTNVAJHAINRHH-UHFFFAOYSA-N 302.356 -0.324 50 20 DBGD CNc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] 862448976 KCFDDYCYOQEQDE-VIFPVBQESA-N 321.293 -0.324 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CN(C)C(=O)C2CC2)n1 915690280 HYZPRTWLJYROGH-UHFFFAOYSA-N 307.354 -0.484 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cn2ccc(C)cc2n1 1116187738 SJZYUQYESZQNDK-UHFFFAOYSA-N 305.294 -0.354 50 20 DBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1 1119663744 WOULZRVRKPVWNY-LLVKDONJSA-N 310.354 -0.985 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccc(C(N)=O)cn1 1319961598 BPOQZZZTPDMKDU-UHFFFAOYSA-N 313.408 -0.348 50 20 DBGD CN1CCN(CC(=O)NNc2ccc(-n3ccnc3)nn2)CC1 1323090844 WJZLELIDPBSRGN-UHFFFAOYSA-N 316.369 -0.647 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1326443018 VYOLCLPQJJQIPB-LLVKDONJSA-N 311.363 -0.404 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 1330315102 SCCCGGIUENQUSH-NSHDSACASA-N 318.333 -0.192 50 20 DBGD O=C(NNC(=O)N1CCOC2(CCOCC2)C1)c1cn[nH]c1 1348123580 YGSRGOWFVMAOIY-UHFFFAOYSA-N 309.326 -0.355 50 20 DBGD CN1CC[C@]2(CCN(C(=O)NNC(=O)c3cccnn3)C2)C1 1349796517 OZCXJAZGQPQIQV-AWEZNQCLSA-N 304.354 -0.141 50 20 DBGD CN(C)c1ncc(CNC(=O)NNC(=O)c2cn[nH]c2)n1C 1351341525 DWNMKUPOUKTSDU-UHFFFAOYSA-N 306.330 -0.647 50 20 DBGD O=C(NN=C1CCS(=O)(=O)C1)[C@H]1CN2CCC[C@@H]2CO1 1549316491 GYINRGIQPVLCQS-GHMZBOCLSA-N 301.368 -0.860 50 20 DBGD O=C(NC[C@H]1CCN1)NNC(=O)c1ccc2c(c1)OCCO2 1580658111 KALVEAAVMWXGEA-SNVBAGLBSA-N 306.322 -0.236 50 20 DBGD C#CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 1588353759 FFWBTOCFUOGHCV-UHFFFAOYSA-N 315.293 -0.791 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1589416141 ORVQGOUODFDLBI-NAKRPEOUSA-N 314.338 -0.171 50 20 DBGD CC(C)NC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1589724258 FSXIGBZEYWZXOO-UHFFFAOYSA-N 319.325 -0.016 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)O1 1591735693 UMWDFUVSXSGVCX-HZGVNTEJSA-N 305.298 -0.477 50 20 DBGD O=C(NNC(=O)c1ncon1)c1cccc(-c2nn[nH]n2)c1 1593159704 WMEHWYBZSYKMNM-UHFFFAOYSA-N 300.238 -0.676 50 20 DBGD O=C(O)C1=NO[C@H](C(=O)NNC(=S)Nc2ccccn2)C1 1594890392 RLQQDQQWWTVCLC-ZETCQYMHSA-N 309.307 -0.371 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)c1cnn(C)c1)N1CCCC1=O 117682428 SORRTOGNLHJWFX-GFCCVEGCSA-N 307.354 -0.172 50 20 DBGD C[C@]1(NNC(=O)NC[C@H]2CCCCO2)CCS(=O)(=O)C1 140113945 ZODRZPSMJPRAGW-PWSUYJOCSA-N 305.400 -0.064 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 263729347 TULHKCSSXAFJMG-VIFPVBQESA-N 310.310 -0.529 50 20 DBGD O=C(CN(CCO)CCO)NNC(=O)c1ccccc1Cl 267876307 NRJOYHBXBGIPOO-UHFFFAOYSA-N 315.757 -0.612 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c(O)cccc1F 274564632 AKGKJTCUHKTEQU-ZETCQYMHSA-N 316.310 -0.273 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C[C@H]1Oc2ccccc2NC1=O 277908345 HPQXOVHIBLNMGS-SNVBAGLBSA-N 307.306 -0.306 50 20 DBGD O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc(B(O)O)c(F)c1 584957881 IVSFAMKMZHGKCY-JTQLQIEISA-N 303.102 -0.484 50 20 DBGD O=C(NCCCNC(=O)C1CCC1)c1ccc(B(O)O)c(F)c1 584959456 DFLHKKLJJOWZOH-UHFFFAOYSA-N 322.145 -0.458 50 20 DBGD COCCn1cc(CNC(=O)c2cc(B(O)O)ccc2F)cn1 584986151 BTNCFQSUSDHWPL-UHFFFAOYSA-N 321.117 -0.722 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)c1c(C)nc2ccccn12 754976909 MAUWVRNXGJSTGI-CQSZACIVSA-N 306.322 -0.199 50 20 DBGD NC(=O)c1cnn2c(C(=O)NNC(=O)c3ccc[nH]3)ccnc12 763429409 HYQRZCUIMLYGFL-UHFFFAOYSA-N 313.277 -0.769 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCc2c(C)nc(O)nc2O)n[nH]1 765584107 XQKGTSRQORCFNE-UHFFFAOYSA-N 320.309 -0.378 50 20 DBGD CN(NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)C(N)=O 778412720 WOXPPUAVQCELKU-UHFFFAOYSA-N 316.339 -0.281 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1NC(=O)O[C@@H]1C 786075248 VELGKZRJLCUXOI-WEDXCCLWSA-N 315.326 -0.392 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)[C@H]1CCCCO1 836221040 HGMYKYLTANRMLI-VXGBXAGGSA-N 314.386 -0.393 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1ccc(C#N)cn1 843980802 WUROVYNBEDKCNJ-ONGXEEELSA-N 303.322 -0.062 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC2(CCC2)C1 844132061 DBUAGFGOOYHALO-QMMMGPOBSA-N 303.384 -0.348 50 20 DBGD C[C@H](CC(=O)NNC(=O)COc1ccccc1O)NC(N)=O 847465814 IUDXALDVVZQROU-MRVPVSSYSA-N 310.310 -0.635 50 20 DBGD CCC[C@H](C(=O)NNC(=S)NCC1CCC1)S(N)(=O)=O 855090329 UROIQPZBJGDTCV-SECBINFHSA-N 322.456 -0.261 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)c1cc[nH]n1)C2 855354617 FUQLQFUKXWLGFX-NGZCFLSTSA-N 319.321 -0.186 50 20 DBGD C[C@]1(CNC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1Br 857399515 WZLOWWYWHXSRKQ-OIBJUYFYSA-N 316.159 -0.333 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc3c(c2)CCO3)N1 858174992 ZGRZFWDCEFHRLO-NSHDSACASA-N 318.333 -0.270 50 20 DBGD C[C@](O)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 858697971 VSIIGXDUXXBNQR-NHYWBVRUSA-N 320.349 -0.497 50 20 DBGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450502 VDYRFNTUZMWUTR-RWEMILLDSA-N 319.317 -0.359 50 20 DBGD CCOC(=O)[C@@H](F)C1CN(C(=O)c2cccc(B(O)O)c2)C1 863883684 JIJIRVXZDLCHDG-LBPRGKRZSA-N 309.102 -0.660 50 20 DBGD CC(C)(CCl)CS(=O)(=O)NCCN1CCNC(=O)C1 867077272 NEBXEAOFEYLZKQ-UHFFFAOYSA-N 311.835 -0.397 50 20 DBGD NC(=O)COc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1 912993683 CLLUAVUQIGEFBQ-UHFFFAOYSA-N 302.290 -0.046 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CSCCS1 913731527 MBDBEWQBHXPEFS-MRVPVSSYSA-N 303.409 -0.395 50 20 DBGD C[C@H](C(=O)NNC(=O)CN1CCCC1=O)N(C)CC(F)(F)F 913731900 ADJSFOGRIXAQKM-MRVPVSSYSA-N 324.303 -0.361 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cnn(C)c2)n1 1116278064 URLAVJAVRJQQDM-UHFFFAOYSA-N 302.294 -0.751 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCc1nc[nH]n1 1116492566 NYVHOANVDDSQMB-UHFFFAOYSA-N 312.330 -0.591 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1nccs1 1118805928 LVLZPJHPESXGJJ-HTQZYQBOSA-N 311.367 -0.144 50 20 DBGD COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1cccc(B(O)O)c1 1261841116 FMGWNMFEDIYXRP-SNVBAGLBSA-N 313.065 -0.611 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1319442194 OBGSQGZLSSTBJA-VIFPVBQESA-N 320.415 -0.356 50 20 DBGD NC(=O)N1CCC[C@@H](C(=O)NNc2nncc(N)c2Cl)C1 1322655259 KDCCYNORCSCNDA-ZCFIWIBFSA-N 313.749 -0.054 50 20 DBGD Cc1nnc(NNC(=O)CCCn2ccccc2=O)nc1O 1322941450 LJJUHKVCNSFGOF-UHFFFAOYSA-N 304.310 -0.029 50 20 DBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)C(=O)N1CCCC1 1324977950 BVILMQQQRUUKLT-UHFFFAOYSA-N 321.381 -0.261 50 20 DBGD Cn1cccc1C(=O)NNC(=O)C1=NO[C@]2(CCCNC2)C1 1579974000 HFVHTUAHCFEENU-CQSZACIVSA-N 305.338 -0.315 50 20 DBGD CC[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCNC1=O 1590488640 AZMSLGUMHHZCFP-CYBMUJFWSA-N 316.325 -0.379 50 20 DBGD CNC(=S)N(C)NC(=O)COc1ccccc1-c1nn[nH]n1 1591214790 CMNTUKZZYRNKBG-UHFFFAOYSA-N 321.366 -0.287 50 20 DBGD Cn1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)ccc1=O 1592593364 RAPDEMGCGYAHGW-UHFFFAOYSA-N 313.281 -0.888 50 20 DBGD O=C(COC[C@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)cn1 1592887114 GUODAUQSSPHXKD-SNVBAGLBSA-N 319.325 -0.100 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)n[nH]1 1594281137 TVHUFGSKHGDBAM-BDAKNGLRSA-N 310.310 -0.251 50 20 DBGD NC(=O)[C@@H](NNC(=O)C(=O)O)c1ccc(Br)cc1 1601140551 XOFLNRHMSOWGRQ-ZETCQYMHSA-N 316.111 -0.319 50 20 DBGD COc1cc(-c2nn[nH]n2)ccc1C(=O)NN(C)C[C@@H](C)O 1605160872 KVVUCFOZNRIVCO-MRVPVSSYSA-N 306.326 -0.167 50 20 DBGD O=C(O)COCCNC(=O)NNC(=O)Cc1ccc(F)cc1 1608757629 PVVHBORKXVHJRL-UHFFFAOYSA-N 313.285 -0.200 50 20 DBGD C[C@]1(NNC(=O)NCCn2ccnc2)CCS(=O)(=O)C1 43311506 PVKBVRNHHQPFMO-NSHDSACASA-N 301.372 -0.736 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 48962139 IGWFJHOIXTZBRC-UHFFFAOYSA-N 303.296 -0.484 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2cn(CC(=O)N(C)C)nn2)n1 144488114 IFTRNOJXMXKVSW-UHFFFAOYSA-N 318.341 -0.470 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 277885112 DZXFXMMYJRQWEF-ZDUSSCGKSA-N 321.377 -0.194 50 20 DBGD CN1CCC[C@@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@H]21 584963664 WSQLQSJJXBQXPT-UKRRQHHQSA-N 302.183 -0.077 50 20 DBGD O=C1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CN1C1CC1 585050784 KPATYCUUBDYWAS-JTQLQIEISA-N 313.122 -0.105 50 20 DBGD CN1C(=O)C[C@H](C(=O)NCB(O)O)[C@H]1c1cccc(Cl)c1 585059332 JSNMIQTZDIHWND-CMPLNLGQSA-N 310.546 -0.012 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NC(C)=O)cc1OC 725906218 SVMMPXMXNHYJAA-QMMMGPOBSA-N 309.322 -0.011 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)NCCCOC 731850271 RSSMNUQZHUOSML-SNVBAGLBSA-N 302.375 -0.983 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=NNC(=O)C1 731865909 WMIHVYSXYXVMIU-ZETCQYMHSA-N 308.269 -0.384 50 20 DBGD CCCNC(=O)CCCC(=O)NNC(=O)N1CCOCC1 732755117 OSGMRLSKPRIURK-UHFFFAOYSA-N 300.359 -0.244 50 20 DBGD O=C(O)NCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 739938420 UBLBRSJRYTXWHE-SNVBAGLBSA-N 309.278 -0.369 50 20 DBGD COC[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 745849758 RJCWKMLRIFZCPD-JTQLQIEISA-N 300.359 -0.390 50 20 DBGD CC(C)CC(=O)NCCC(=O)NNc1ccc(C(N)=O)nn1 757398412 IUKAMRJNNJPSTN-UHFFFAOYSA-N 308.342 -0.429 50 20 DBGD C[C@@H]1CC[C@H](CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)O1 758050253 AGZUBKSJTOYBJZ-OPRDCNLKSA-N 321.399 -0.581 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCNC(=O)C[C@H]2C)cc1 761058389 XPKYSJQYCORNLF-GFCCVEGCSA-N 318.377 -0.034 50 20 DBGD CN(C)C(=O)Cn1cc(NC(=O)NNc2ncccn2)cn1 775649502 IWBWBGDUMKMHTM-UHFFFAOYSA-N 304.314 -0.090 50 20 DBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)C(=O)N1CCCC1 780449524 CODMHBMZBCNOJR-UHFFFAOYSA-N 313.354 -0.264 50 20 DBGD COc1cccc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)n1 781024415 YVAPBHSHTSRHMI-UFBFGSQYSA-N 308.338 -0.191 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2cncn2c1 785723727 INRHXQSJRFGVBD-SNVBAGLBSA-N 322.346 -0.470 50 20 DBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)N=c1cc[nH]cc1 802026626 YDINXLWDVULMKE-UHFFFAOYSA-N 314.367 -0.131 50 20 DBGD CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(-n2ccnc2)nn1 804958774 MTVNJTGFBLCMPC-SECBINFHSA-N 318.341 -0.058 50 20 DBGD CCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 820836980 FRBYVSYOMVKYFQ-UHFFFAOYSA-N 318.293 -0.419 50 20 DBGD CCN(CCO)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 823879107 FAJIUVVTAWQLOD-MRXNPFEDSA-N 321.377 -0.261 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)OC)C1 840453602 XSAJKNQRFSMNAB-BBBLOLIVSA-N 317.342 -0.680 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(C#N)nc1 842593362 USLWKLMJMTVPAK-KCJUWKMLSA-N 310.335 -0.312 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O 843971525 RAVSTKYPAVUPQM-XKNYDFJKSA-N 306.384 -0.372 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(n3cnnn3)CCCCC2)cn1 844395978 ZUFFJSCJKGDELG-UHFFFAOYSA-N 318.341 -0.473 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)NC1CCCC1 845322547 XEWJMROSOBDDKC-VIFPVBQESA-N 307.358 -0.101 50 20 DBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 845414002 JIMKOCOYJHBXFI-SECBINFHSA-N 306.388 -0.603 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)Cc2ccncc2)n1 847544515 KYNFUHAMACEVTP-UHFFFAOYSA-N 316.365 -0.157 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 854929620 NGNLFRBSWCQHDC-RKDXNWHRSA-N 312.395 -0.371 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1Cl 862459634 AFYGFWGQGOMDKV-LURJTMIESA-N 312.713 -0.217 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccccc1F 863459350 OQNVHPBZEYGSCS-UHFFFAOYSA-N 302.327 -0.050 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cn1cc2ccccc2n1 863461814 VJZHBXBLBLFYKR-UHFFFAOYSA-N 310.335 -0.772 50 20 DBGD COC(=O)[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 863871404 LUWBYBBASYXUCH-GFCCVEGCSA-N 309.102 -0.327 50 20 DBGD COC(=O)N(C)NC(=O)NCCN1CCN(C)C(C)(C)C1 875558756 KJIPPJFGGFHQTP-UHFFFAOYSA-N 301.391 -0.075 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(C(F)F)[nH]n2)CC1 879717131 XSILPKBPLIMLAL-UHFFFAOYSA-N 302.285 -0.051 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCO1 921028049 RLFISLZIMHZXFI-MNOVXSKESA-N 303.359 -0.063 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc[n+]([O-])c1 1251459655 PRINCPXUTBBJMQ-UHFFFAOYSA-N 320.330 -0.428 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1317925069 SFHUJBOBWLFQIQ-UHFFFAOYSA-N 314.367 -0.516 50 20 DBGD Cc1nn(C)c(C)c1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1318247802 WYZUTMDWVGYCFO-MRVPVSSYSA-N 301.372 -0.575 50 20 DBGD COC[C@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)OC 1319963088 UBEFLKQKZGWYOE-ONGXEEELSA-N 309.388 -0.971 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnn(CCOC)c1 1320596039 KEYUUXMUODZLGB-UHFFFAOYSA-N 312.330 -0.840 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(-n2ccnc2)nn1 1323027642 RMDWOMFYHISGIF-SECBINFHSA-N 324.366 -0.214 50 20 DBGD CC(=O)N[C@H](CC(C)C)C(=O)NN(C)C(=O)N1CCNCC1 1575015265 PMSJNWLTRANBAB-GFCCVEGCSA-N 313.402 -0.475 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nncn2CC1)C1CCNCC1 1580736216 OQPAXPQTWRUWNV-SNVBAGLBSA-N 306.370 -0.622 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1ncccc1C(=O)O 1594714057 NXSPWLTZKKVNNO-UHFFFAOYSA-N 305.250 -0.815 50 20 DBGD O=C(O)CSCC(=O)NNc1ccc(-n2ccnc2)nn1 1595126908 NLUFFACTHBQPGZ-UHFFFAOYSA-N 308.323 -0.077 50 20 DBGD O=C(CCc1ccccc1C(=O)O)NNC(=O)C(=O)NC1CC1 1610659826 YGWVIGLJMABPRH-UHFFFAOYSA-N 319.317 -0.257 50 20 DBGD COc1ccc(C(=O)NCC(=O)NNC(C)=O)cc1[N+](=O)[O-] 36748001 JWDOGOFBOMXYQW-UHFFFAOYSA-N 310.266 -0.500 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)Cn1cccn1 267131924 CTBPBQUIUYSSPD-QWRGUYRKSA-N 313.358 -0.347 50 20 DBGD C[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 273205069 JCULHKRRQJXJGP-RNFRBKRXSA-N 317.346 -0.896 50 20 DBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)N1CCCC1 274664280 JUKKFHZHGSTPKD-UHFFFAOYSA-N 322.277 -0.316 50 20 DBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 282875727 RVVRHTRSDQXDSX-MNOVXSKESA-N 319.317 -0.110 50 20 DBGD CC(=O)C1(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 293201472 XAJHPNMKLYKQNQ-UHFFFAOYSA-N 309.347 -0.006 50 20 DBGD O=C(NNC(=O)C1CC1)C1=CC=CN2CCS(=O)(=O)N=C12 299296891 XFAVMWCHKKVARU-UHFFFAOYSA-N 310.335 -0.959 50 20 DBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1CCCC1 299538280 IILHTDJYFRIIAW-UHFFFAOYSA-N 322.277 -0.316 50 20 DBGD CCN1CCO[C@H](C(=O)NNC(=O)Cn2nc(C)cc2C)C1 371813371 BXBUXXLENCIGHO-LBPRGKRZSA-N 309.370 -0.632 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 497028000 VDRJHDMPUXSVDI-GFCCVEGCSA-N 321.333 -0.215 50 20 DBGD Cc1ccc(NCCCNC(=O)c2cccc(B(O)O)c2)nc1 584956673 FWRUIKHCFCXJKD-UHFFFAOYSA-N 313.166 0.302 50 20 DBGD CN1CCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1=O 584983692 ZJBNUIRJCZDXGN-UHFFFAOYSA-N 316.166 -0.549 50 20 DBGD OB(O)c1ccccc1CNC1CCN(C[C@H]2CCOC2)CC1 585024771 CGDYCZZOWLLPSY-CQSZACIVSA-N 318.226 -0.043 50 20 DBGD CC[C@@H](NCc1ccccc1B(O)O)C(=O)N1CCOCC1 585026758 RQDQKIAFCLYCLV-CQSZACIVSA-N 306.171 -0.907 50 20 DBGD C[C@@H]1[C@H](NCc2ccc(B(O)O)cc2F)CCS1(=O)=O 585048669 BTEIEIDRSPBZPR-PRHODGIISA-N 301.148 -0.829 50 20 DBGD Nc1ncc(Cl)cc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058384 ZCFCQSLYRMENLW-ZCFIWIBFSA-N 305.552 -0.445 50 20 DBGD CC(C)C[C@@H](C(=O)NCB(O)O)N1C(=O)c2ccccc2C1=O 585062159 CDHWRRIOYKHVNR-LBPRGKRZSA-N 318.138 -0.175 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)c1cn(CC(N)=O)nn1 742484005 QSTHPFUVUIHLNV-UHFFFAOYSA-N 302.294 -0.853 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNC(=O)C1CCCC1 745854089 DUTKRGFJQOXYDW-UHFFFAOYSA-N 321.399 -0.432 50 20 DBGD CO[C@]1(C)C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 745935989 WPLGTVYADFKMGN-LKFCYVNXSA-N 312.370 -0.201 50 20 DBGD Cc1cc(C)nc(-n2nc(C)cc2NC(=O)NNC(=O)CO)n1 755517201 ZACDONHBZVDKDF-UHFFFAOYSA-N 319.325 -0.267 50 20 DBGD CC(C)n1nccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758058773 YEPNPEXDCMCKOV-MRVPVSSYSA-N 317.371 -0.837 50 20 DBGD CCO[C@H]1COCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 776485220 OWBOFZXPLNJJRM-QWRGUYRKSA-N 301.387 -0.037 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(CS(N)(=O)=O)cc1 780712536 XMENWODCMIIWSP-UHFFFAOYSA-N 314.367 -0.219 50 20 DBGD COCCO[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 781962806 SDZUUBWJLVSXFX-NSHDSACASA-N 301.387 -0.083 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](CO)O[C@H](C)C2)c1 787314253 FBLHAVHJDPCDII-OCCSQVGLSA-N 321.377 -0.162 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(S(C)(=O)=O)CCC1 796186727 XAIMXZXXOVQVSW-QMMMGPOBSA-N 320.367 -0.557 50 20 DBGD O=C(NNc1ccc(F)c(F)c1F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830782042 ORDLDLPSLVBAJG-KBVBSXBZSA-N 318.251 -0.040 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843647735 NNABYTHMLJQQCM-VXNVDRBHSA-N 311.298 -0.328 50 20 DBGD CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858538660 OZMYUUPCHPMWHA-PWZJLYFZSA-N 312.370 -0.201 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC2(CCC2)O1 858701065 AVCMCSGCHNJNGH-NXEZZACHSA-N 310.354 -0.351 50 20 DBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862453670 MDDWCOJWULQCLP-SNVBAGLBSA-N 312.370 -0.549 50 20 DBGD O=C(NNCC(F)(F)C(F)(F)F)[C@@H]1CCS(=O)(=O)N1 863102417 HNDDQKCZUYZWPS-BYPYZUCNSA-N 311.232 -0.504 50 20 DBGD CSc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)n1 863467188 PZYGCWWNASQOJY-UHFFFAOYSA-N 303.365 -0.391 50 20 DBGD CCOC(=O)N1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 863870870 PHVNIMCOVSJNKP-UHFFFAOYSA-N 320.154 -0.283 50 20 DBGD COCCOCC(=O)NNC(=O)Cn1cc2ccccc2n1 869909311 QKTSJGPVTNXQHF-UHFFFAOYSA-N 306.322 -0.153 50 20 DBGD CO[C@]1(C(=O)O)CCN(S(=O)(=O)CBr)C1 899934888 NTWOBOVBBZHTRW-SSDOTTSWSA-N 302.146 -0.156 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)NC1CCCCC1 916106953 LHGUXZKWIBHWKM-UHFFFAOYSA-N 321.399 -0.289 50 20 DBGD COC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 916117899 NVSDPOOIZAZBDA-WDEREUQCSA-N 318.443 -0.515 50 20 DBGD CCn1ncnc1C=NNC(=O)Cc1cc(O)nc(S)n1 1118322898 VMJGDAHRWSVKLV-UHFFFAOYSA-N 307.339 -0.225 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCOC3(CCC3)C2)N1 1118810508 JIDXSWWWNBRNDC-NXEZZACHSA-N 310.354 -0.303 50 20 DBGD CCOCCOCCNC(=O)NNC(=O)C1CCOCC1 1119639620 CKUYFZRYKWAGSR-UHFFFAOYSA-N 303.359 -0.204 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)NCc2ccco2)CC1 1256293734 PFLSOGSTDWPEKR-UHFFFAOYSA-N 301.324 -0.313 50 20 DBGD CCN1CCN(CC(=O)NNc2ccc(OC)cc2)C(=O)C1=O 1318883080 BUQWEZIUSHQTCN-UHFFFAOYSA-N 320.349 -0.171 50 20 DBGD Cc1nc(C(=O)NNc2ncccc2F)nn1-c1nc[nH]n1 1322173211 ZCSCLLOHVTTWGY-UHFFFAOYSA-N 303.261 -0.015 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)CN1 1323428809 RWIWIVWSGIWCBE-SNVBAGLBSA-N 315.333 -0.450 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)Cc2cccnc2)n1 1325928876 DKULLOPYOSPYAB-UHFFFAOYSA-N 318.337 -0.147 50 20 DBGD CS(=O)(=O)c1cccc(Cl)c1C=NNC(=O)C(N)=O 1341691800 MSFXZBFANGAUNB-UHFFFAOYSA-N 303.727 -0.321 50 20 DBGD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@H](B(O)O)C1 1593465449 AWVXCXUWOKUZPG-LURJTMIESA-N 305.063 -0.777 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1594712225 BUDUHOUJFPAETB-XHNCKOQMSA-N 300.311 -0.024 50 20 DBGD O=C(O)[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1C1CC1 1595190117 ADDKJXQOJSGLJW-QWHCGFSZSA-N 303.123 -0.451 50 20 DBGD Cc1cc(Cl)ncc1NC(=O)C(=O)NNC(=O)C(=O)O 1600220859 UPTDEYHQAZVVQW-UHFFFAOYSA-N 300.658 -0.786 50 20 DBGD O=C(O)c1coc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1608987317 MVNSKAUYTNOVNR-SSDOTTSWSA-N 300.292 -0.137 50 20 DBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)O)C2 1799270663 SDWHWLUPKNRLIW-HGCLJGPKSA-N 318.801 -0.026 50 20 DBGD C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839807553 GVSVVVODMXNPHN-WCQYABFASA-N 318.732 -0.390 50 20 DBGD COc1cc(C)nc(NNC(=O)CN2C(=O)CN(C)C2=O)n1 266914061 JUHZMBDTZBAPJI-UHFFFAOYSA-N 308.298 -0.869 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)COc1ccc(C)cc1 267588127 KMDJSFPMECYHLV-UHFFFAOYSA-N 315.351 -0.930 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N(C)C 269144259 LUECTNGBQJABRC-ZDUSSCGKSA-N 321.381 -0.455 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCn1cccc1 273482257 LKRDGOBBHISXOQ-SNVBAGLBSA-N 316.383 -0.647 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1c[nH]c(C(=O)OC)c1 275457186 JMSJSGIRAPNMQE-UHFFFAOYSA-N 304.328 -0.344 50 20 DBGD C[C@@H](CO)N(CC(=O)NNC(=O)c1ccccc1)C[C@@H](C)O 276170008 INSNWHMBEPCRFN-NWDGAFQWSA-N 309.366 -0.489 50 20 DBGD COc1ccnc(NNC(=O)C2=C(C)OCCS2(=O)=O)n1 280918673 JENVDAVYLHNYRD-UHFFFAOYSA-N 314.323 -0.395 50 20 DBGD C[C@H]1OCCN[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1 284796224 LZJUUZIACIHERK-SCZZXKLOSA-N 304.310 -0.048 50 20 DBGD O=C(CN1[C@@H](CO)CC[C@@H]1CO)NNC(=O)c1ccccc1 287389452 NJGBKAMDCSAXBA-CHWSQXEVSA-N 307.350 -0.735 50 20 DBGD O=C1COc2ccc(C(=O)NNC(=O)N3CCOCC3)cc2N1 299329018 BMVGWLMNXOWSHV-UHFFFAOYSA-N 320.305 -0.296 50 20 DBGD O=C1C[C@H](C(=O)Nc2cccc(B(O)O)c2)[C@H]2CCCC[C@@H]2N1 584912966 YGBBMWJFNDKIKR-RDBSUJKOSA-N 316.166 0.000 50 20 DBGD CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584937179 MAIMJBKZLZSAQM-NSHDSACASA-N 322.145 -0.364 50 20 DBGD NC(=O)C[C@H](NC(=O)c1cccc(B(O)O)c1)C1CCCCC1 584956620 DYZCUQSDCHIJGK-AWEZNQCLSA-N 318.182 -0.080 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)o1 585042205 LFCLNAMQMWJWCR-SMDDNHRTSA-N 309.171 -0.383 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1ccc(O)c(O)c1 743445562 ARWIXINPVQUJPD-UHFFFAOYSA-N 304.262 -0.008 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)c1cnn(C)c1N 757674662 GQCKWHGHVDBDRQ-UHFFFAOYSA-N 319.321 -0.149 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCN1 760240669 GNUOTMWSNWRAMI-BXKDBHETSA-N 319.317 -0.500 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(Cn2cncn2)CC1 778219566 IFAQDBGCKUEAMF-NSHDSACASA-N 308.386 -0.064 50 20 DBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NN(C)C(N)=O 778417794 FTHFIQJUTWSXRJ-JTQLQIEISA-N 318.341 -0.684 50 20 DBGD CC(C)N(CCOCCO)CC(=O)NNC(=O)C(C)(C)C 801992774 BWWOXVMBYMXBAY-UHFFFAOYSA-N 303.403 -0.101 50 20 DBGD CO[C@H](C)c1nsc(NC(=O)NNC(=O)CN(C)C)n1 809926522 YMUDAQJXQOGPAL-ZCFIWIBFSA-N 302.360 -0.040 50 20 DBGD COC(=O)CC1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 819807079 JBIKWURMBVZCHO-GKAPJAKFSA-N 317.367 -0.198 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CSCC(=O)N1)C1CC1 824445806 AQLOYYRSYIUSDQ-SVRRBLITSA-N 302.425 -0.488 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)c1cccc(F)n1 856422953 IMJOHXBZOKDXDQ-UHFFFAOYSA-N 318.330 -0.737 50 20 DBGD C[C@@]1(CNC(=O)NCCS(N)(=O)=O)C[C@H]1Br 856848581 HSZCBRFPCNXNPR-SVRRBLITSA-N 314.205 -0.252 50 20 DBGD COc1cccc(C(=O)NNC(=O)C2(n3cnnn3)CC2)c1O 857012807 UVGHUQGHXUFMQJ-UHFFFAOYSA-N 318.293 -0.662 50 20 DBGD C[C@@H](NNC(=O)Cn1nc2n(c1=O)CCCC2)C(F)(F)F 862323551 UCOLNPLHXXEADG-SSDOTTSWSA-N 307.276 -0.047 50 20 DBGD CCN1C[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 914717275 HOGFRBLINSSMKQ-WDEREUQCSA-N 317.411 -0.653 50 20 DBGD COCCOCC(=O)NNC(=O)[C@]1(C)CCN(C(C)=O)C1 1261880797 NZIMSALILVODJN-CYBMUJFWSA-N 301.343 -0.945 50 20 DBGD NC(=O)C(=O)NN=Cc1c(N2CCOCC2)nc2ccccn12 1323152905 SCLVNBLABROHRC-UHFFFAOYSA-N 316.321 -0.894 50 20 DBGD Cn1nnc(Br)c1C(=O)NNC(=O)C(C)(C)O 1326076561 ZZYNEPVWXYVJOY-UHFFFAOYSA-N 306.120 -0.891 50 20 DBGD O=C(CSc1n[nH]c(O)n1)NNC(=O)OCC(F)(F)F 1328495908 WUQJEYOOOZGINS-UHFFFAOYSA-N 315.233 -0.078 50 20 DBGD CO[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)C1CCOCC1 1331937494 GOZQAZBIMGIKJL-VXGBXAGGSA-N 315.370 -0.205 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)nn1 1339793498 LAUJQMNICIYQSE-LURJTMIESA-N 318.742 -0.674 50 20 DBGD CCC(=O)NC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1348254666 ONMFKZCZBLBFFT-UHFFFAOYSA-N 304.155 -0.503 50 20 DBGD CCn1nc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)c1C 1348434975 CHOSGYRGJKKAPN-UHFFFAOYSA-N 302.356 -0.675 50 20 DBGD Cc1cc(N)cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1579619814 CSJJISGFVCEUJU-LLVKDONJSA-N 305.338 -0.314 50 20 DBGD NC1(C(=O)NNC(=O)c2cnsn2)Cc2ccccc2C1 1580139215 AFSMVYMFNVSLNJ-UHFFFAOYSA-N 303.347 -0.205 50 20 DBGD NNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1580358738 VAMIQNGEQOLWPR-UHFFFAOYSA-N 319.408 -0.255 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccnc(-n2cccn2)c1 265863877 ZNYVZKHHXNITHX-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD COc1cc(C)nc(NNC(=O)NCCN2C(=O)CCC2=O)n1 266949882 JVVLMHJXZUOXSV-UHFFFAOYSA-N 322.325 -0.431 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCCO1 269376230 FLHAGOYUGFSIMX-NSHDSACASA-N 306.322 -0.472 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)Cc1ccccc1F 270392298 CGMCQJPKXVNJIN-UHFFFAOYSA-N 317.342 -0.545 50 20 DBGD COC[C@@H](CNC(=O)NNC(=O)Cn1nc(C)cc1C)OC 272763294 GCPFNVUQYOBCCC-LLVKDONJSA-N 313.358 -0.508 50 20 DBGD COCCN1C[C@H](C(=O)NNc2nccnc2OC)CC1=O 274052106 HFCZTMOPOMEDMQ-SECBINFHSA-N 309.326 -0.577 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ccc(OC)cn1 275828428 AUIYCFFEXPGMNI-UHFFFAOYSA-N 317.371 -0.344 50 20 DBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)NCC(F)(F)F 281388747 XSKOIWQYQQDMFD-UHFFFAOYSA-N 310.192 -0.316 50 20 DBGD CO[C@H](Cc1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 294424065 NKYVCRIWKATLNO-GFCCVEGCSA-N 307.350 -0.084 50 20 DBGD Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cccc(B(O)O)c2)cn1 584914369 VUXQHRLVKAQRNE-UONOGXRCSA-N 315.138 -0.184 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCS2(=O)=O)c1 728826531 MUBSYOKOUWCGDC-UHFFFAOYSA-N 322.346 -0.645 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNc1nc2ccccc2c(=O)n1C 733261694 ZQXSQXMDMNDXHA-ZETCQYMHSA-N 304.310 -0.567 50 20 DBGD O=C(CCCn1ccnc1)NNC(=O)CNC(=O)c1ccco1 751202646 GSTYOVCJMKICLS-UHFFFAOYSA-N 319.321 -0.166 50 20 DBGD CCOc1cc(C(=O)NNC(=O)CO)c([N+](=O)[O-])cc1OC 753439205 NPNACUNPAYGWKE-UHFFFAOYSA-N 313.266 -0.245 50 20 DBGD CCOc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1OC 764420292 CULZFLXQQJOXGO-UHFFFAOYSA-N 311.294 -0.828 50 20 DBGD C[C@@H](O)CN(CC(=O)NNC(=O)c1cccs1)[C@H](C)CO 785537475 PTUVBDJUKVPKJD-NXEZZACHSA-N 315.395 -0.427 50 20 DBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cn1cncn1 817053760 FODRGDZAUYLNHD-UHFFFAOYSA-N 324.366 -0.328 50 20 DBGD COc1ccc(C(=O)NNC(=O)C[C@H]2CC(=O)N2)c(OC)c1 826646385 BUKJCINVVKRKOR-MRVPVSSYSA-N 307.306 -0.257 50 20 DBGD COc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1 827015434 IPCXWNVTHWRVBP-LBPRGKRZSA-N 305.334 -0.028 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](C(=O)N(C)C)C1 827260676 VESNDLAIKZBLNR-GARJFASQSA-N 312.370 -0.438 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@](C)(O)c1ccc(F)cc1 827869765 KODPXXGKUWKFNE-AWEZNQCLSA-N 314.313 -0.156 50 20 DBGD C[C@H]1SCC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 828541884 KKDPBCYVLYNBFI-RKDXNWHRSA-N 300.384 -0.167 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2cccc(C(=O)O)c2)C1=O 833698349 UBKLSYFMSOHQMY-UHFFFAOYSA-N 320.261 -0.752 50 20 DBGD CNC(=S)N(C)NC(=O)COCCNC(=O)c1ccccc1 854922300 FHXGXAIDRGLXCO-UHFFFAOYSA-N 324.406 -0.100 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NC[C@]1(C)C[C@@H]1Br 857402639 PLPUNKHYUATAKD-KWQFWETISA-N 320.187 -0.472 50 20 DBGD C[C@H](NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(F)(F)F 862314329 ZQCMLLLXSXPYOV-DTWKUNHWSA-N 310.320 -0.032 50 20 DBGD Cn1cnc2cccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c21 862459007 LQBGLDFANRWXOR-JTQLQIEISA-N 301.306 -0.387 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)N1 862459221 PHQNPNHFOPKWTG-ZETCQYMHSA-N 305.281 -0.647 50 20 DBGD COC(=O)C[C@@]1(NC(=O)c2ccc(B(O)O)cc2)CCCOC1 863878793 KXQVRPTXMSHRCR-HNNXBMFYSA-N 321.138 -0.792 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NN(C)C[C@@H](C)O 910159074 ZOJXBQNUGGEPFB-MWLCHTKSSA-N 307.416 -0.563 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1116698949 YUVDXHCVVBHPHO-SECBINFHSA-N 317.371 -0.301 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2c(=O)cc[nH]c12 1118278915 AISVTLUCTHHBII-HTQZYQBOSA-N 305.294 -0.791 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCN(CC(C)C)C1 1319432781 JYKIUCLTUXZECQ-NSHDSACASA-N 314.386 -0.142 50 20 DBGD CCO/C=C(/C#N)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1319671913 OVRHFEBMJSOIQS-QLWWJYNRSA-N 301.368 -0.172 50 20 DBGD C[C@]1(NNC(=O)N[C@H]2CCCOCC2)CCS(=O)(=O)C1 1320081882 WSDIEMLPDGNPSE-JQWIXIFHSA-N 305.400 -0.064 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc2ncccc2c1 1320712208 XQNYAEBIEWWOAT-UHFFFAOYSA-N 316.273 -0.506 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(CNC(C)=O)cc1 1321186846 YUIVJRSIAHWXOV-UHFFFAOYSA-N 308.294 -0.352 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CCS(=O)(=O)C1 1325289667 PCVDGOFWDKHGQS-DTWKUNHWSA-N 305.356 -0.927 50 20 DBGD N#Cc1cncc(S(=O)(=O)NNC(=O)Cc2cccnc2)c1 1325940980 ZADVRPMLERYJDT-UHFFFAOYSA-N 317.330 -0.100 50 20 DBGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NN)CC1 1329226336 NRYLTSBYFRYYRR-UHFFFAOYSA-N 302.356 -0.318 50 20 DBGD O=C(CN1CCC2(CC1)C[C@H](O)CCO2)NNC(=O)C1CC1 1333814211 GEFOXFJCCJYFGY-GFCCVEGCSA-N 311.382 -0.450 50 20 DBGD C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NNC(=O)c1cn[nH]c1 1334929934 IAAZAGOCKHAYHN-SNVBAGLBSA-N 324.385 -0.459 50 20 DBGD CCOC(=O)[C@@H]1CNCCN1C(=O)/C(C#N)=C/c1cnn(C)c1 1577935665 BSHPWGWCGQCNFW-UWUHSAQLSA-N 317.349 -0.309 50 20 DBGD N#CCCC[C@H](N)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 1580049243 LOFMOMVHKAUSEB-GXFFZTMASA-N 318.333 -0.005 50 20 DBGD C[C@@H]1[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCN1C 1590170923 NGLHOKJSZNPUHQ-PSASIEDQSA-N 317.357 -0.020 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2CCC[C@]2(C(=O)O)C1 1602626927 VIFXCWKWIQNUCT-NHYWBVRUSA-N 303.123 -0.307 50 20 DBGD CCCc1csc(NC(=O)C(=O)NNC(=O)C(=O)O)n1 1605378762 MWXYVAJPPHFUSR-UHFFFAOYSA-N 300.296 -0.734 50 20 DBGD O=C(O)c1cccc(CS(=O)(=O)N2CC[C@H](B(O)O)C2)c1 1608932201 SUOFBEUBJDBICI-NSHDSACASA-N 313.140 -0.237 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cscc2-c2nn[nH]n2)cn1 1609478269 NRHFKOTUMAALOF-UHFFFAOYSA-N 318.322 -0.264 50 20 DBGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1781213317 MTXAHWSMKBPRGX-GXFFZTMASA-N 303.790 -0.208 50 20 DBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 282705114 PCTQMTQLSYOXTA-CWSCBRNRSA-N 320.349 -0.228 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)CC1CC1 294062420 GOFFDDSRUHXLCT-OAHLLOKOSA-N 307.350 -0.145 50 20 DBGD O=C(CSc1ccncc1)NNC(=O)C(=O)N1CCCC1 299553633 LUYKZTNXJPFYIZ-UHFFFAOYSA-N 308.363 -0.057 50 20 DBGD C[C@@H](N)[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 316649048 QHXNRJQXGSAMQC-DGCLKSJQSA-N 306.366 -0.504 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@H](COCC2CC2)C1 584977201 NPXRYKSDNIZEOA-HNNXBMFYSA-N 319.166 -0.366 50 20 DBGD CC1(C)CCN(C(=O)c2ccc(B(O)O)cc2)CC[S@]1=O 584996783 PPYMCBWIZWPSAQ-OAQYLSRUSA-N 309.196 -0.260 50 20 DBGD CCN1C[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 585002666 CDPQOXFEHDUAHR-VIFPVBQESA-N 308.118 -0.896 50 20 DBGD Nc1ccc([C@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)nn1 585007309 WMQWJKYHARASQY-CYBMUJFWSA-N 312.138 -0.284 50 20 DBGD C[C@H]1[C@@H](CNCc2ccc(B(O)O)cc2F)N(C)CCN1C 585042533 DTEVVKQADPAENE-XHDPSFHLSA-N 309.194 -0.771 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 729259009 FZNUDQKULPIMQF-UHFFFAOYSA-N 305.290 -0.516 50 20 DBGD O=C(CN1CCN(Cc2cscn2)CC1)NNC(=O)C1CC1 733194433 RDJNCGCAYJHHQI-UHFFFAOYSA-N 323.422 -0.182 50 20 DBGD C#CCCCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758057589 VWCIFDFKFFYGMJ-JTQLQIEISA-N 303.384 -0.345 50 20 DBGD Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)NNC(=O)C1CC1 766278646 GRIYXLBHINQRBJ-GFCCVEGCSA-N 321.381 -0.043 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)c2cc(C)[nH]n2)cn1 779674125 BQLQCVBGCMPTCI-UHFFFAOYSA-N 304.266 -0.630 50 20 DBGD CCS(=O)(=O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 825659643 XRYURIDSDKMQEC-UHFFFAOYSA-N 310.339 -0.256 50 20 DBGD NC(=O)CSCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826391382 IXMXJCYNVHVAPP-UHFFFAOYSA-N 307.339 -0.472 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)N(C)C)cc1 843778244 DLSRHEOWCICDQX-UHFFFAOYSA-N 314.367 -0.424 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 843972421 GWMMNUPCRARBOH-RWEMILLDSA-N 313.379 -0.376 50 20 DBGD C[C@@]1(C(N)=O)CCN(C(=O)NNC(=O)c2cccc(F)n2)C1 852710181 LFLKUHORYDCOMJ-CYBMUJFWSA-N 309.301 -0.228 50 20 DBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)c1cc(Br)c[nH]1 854292717 KOFZYEGKSYBGSK-ZCFIWIBFSA-N 315.127 -0.183 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1c1ncccn1)c1cc[nH]n1 855359396 QIKDWCYBQWYPQY-JTQLQIEISA-N 301.310 -0.370 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1=O 858568588 UMXRFHJBZITRSU-SECBINFHSA-N 308.342 -0.247 50 20 DBGD C[C@H](C(=O)NNC(=O)COc1ccccc1O)[C@H]1CCC(=O)N1 859269385 ABWKWIKRFBIOGQ-VHSXEESVSA-N 321.333 -0.167 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC(N2CCOCC2)CC1 859355980 KDABIANCDRBMPJ-UHFFFAOYSA-N 312.414 -0.414 50 20 DBGD CS(=O)(=O)CC(=O)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 863465723 DYLCRHBFMABYPK-HTAWBZOUSA-N 324.402 -0.428 50 20 DBGD CCCN(CC(=O)OCC)C(=O)c1cc(B(O)O)ccc1F 863873180 ZWUKYSKNBIXRPW-UHFFFAOYSA-N 311.118 -0.079 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC2(C1)OCCO2 863876227 RBHDVOHAEQNXCL-UHFFFAOYSA-N 309.102 -0.515 50 20 DBGD COC(=O)[C@H](CNC(=O)c1cccc(B(O)O)c1)CC1CC1 863886816 NXHKUBUCLUQDLL-LBPRGKRZSA-N 305.139 -0.315 50 20 DBGD C[C@H]1CCN(CCNC(=O)NNC(=O)C(=O)N2CCCC2)C1 897432924 RXPMKPAMKHTGKL-NSHDSACASA-N 311.386 -0.719 50 20 DBGD CC(=O)Nc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1F 1118884862 RYGJFOOWHXWGJU-JTQLQIEISA-N 322.296 -0.176 50 20 DBGD N#CCCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1256122827 HVHJZMUTDVMBGS-UHFFFAOYSA-N 317.353 -0.063 50 20 DBGD COCCn1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cn1 1320304293 XQGVRDGRUNFYRM-UHFFFAOYSA-N 311.342 -0.339 50 20 DBGD Cc1ncccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1321630328 VYOHEKFURZVLFG-VIFPVBQESA-N 312.351 -0.479 50 20 DBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](B(O)O)C1 1329214558 HGXPGZUIEJVBAH-SECBINFHSA-N 312.156 -0.669 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@H]2CCCCN2C1=O 1329752257 CKIIADCCQSUYSN-ZJUUUORDSA-N 306.326 -0.493 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(Cl)n1 1339450825 MISABSGEQYGKLM-UHFFFAOYSA-N 300.702 -0.488 50 20 DBGD C[C@@H]1NCC[C@H]1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1576886974 WEKGMDNSDZUPSB-CYZMBNFOSA-N 310.398 -0.615 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN[C@@H]([C@@H]2CCCO2)C1)c1ncccn1 1580736173 NBNHRZSEZLGLIA-UTUOFQBUSA-N 319.365 -0.215 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc(C(=O)O)c1C 1589127691 IJIXVJQFOMNOMT-UHFFFAOYSA-N 322.321 -0.611 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1589415300 GLHWCYKRPNQFAL-DTWKUNHWSA-N 323.305 -0.881 50 20 DBGD O=C(CCc1ocnc1C(=O)O)NNC(=O)N1CCOCC1 1601296619 IBQMDNNBXUYPEK-UHFFFAOYSA-N 312.282 -0.622 50 20 DBGD O=C(O)CN(C(=O)c1cc(B(O)O)ccc1F)C1CCCC1 1602050593 MKTGLNXTNRRWNR-UHFFFAOYSA-N 309.102 -0.025 50 20 DBGD CCN(CC(=O)O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 1605415793 TVZVNGNDTFJDAS-UHFFFAOYSA-N 324.293 -0.238 50 20 DBGD O=C(O)Cc1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1610793713 CSOLJFIJXVYQSC-UHFFFAOYSA-N 319.317 -0.303 50 20 DBGD CCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558092 HOORHKDIUOWFRR-GARJFASQSA-N 304.774 -0.176 50 20 DBGD O=C(NCCOc1ccccc1)NNC(=O)C(=O)NC1CC1 43160237 ALMBAQWABQBVFT-UHFFFAOYSA-N 306.322 -0.326 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cc1 138690823 CNVIVBIINLDEFQ-UHFFFAOYSA-N 312.351 -0.299 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1cccnn1 271077864 FOLWRRRIYZSIKC-UHFFFAOYSA-N 324.341 -0.439 50 20 DBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)N1CCN(C)CC1 278525042 CLKIKKNHCBNWGO-UHFFFAOYSA-N 322.413 -0.042 50 20 DBGD COc1cc(CC(=O)NNC(=O)C(C)(C)O)cc(OC)c1O 279891128 ZEPVVZZANUIZDN-UHFFFAOYSA-N 312.322 -0.130 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc(C3CC3)nc2N)CC1 287680291 CGJKXQIGWNDFOW-UHFFFAOYSA-N 319.369 -0.462 50 20 DBGD O=C(NCc1ccc(O)cc1)NNC(=O)C(=O)N1CCCC1 299491214 JMGJKBQWPVKFCE-UHFFFAOYSA-N 306.322 -0.155 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)CCN1CCCS1(=O)=O 490753674 HPWOCGGFBVWFIB-UHFFFAOYSA-N 307.372 -0.032 50 20 DBGD NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(B(O)O)cc1 584937271 RCLZRNYBELCHQJ-UBHSHLNASA-N 316.166 -0.375 50 20 DBGD O=C(NC[C@@H](O)COCC1CC1)c1cc(B(O)O)ccc1F 584962846 RSKYMFAMSUNPPN-LLVKDONJSA-N 311.118 -0.977 50 20 DBGD COCCN1[C@@H](C)CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C 585003525 MQWBHLKZXIRJNY-BETUJISGSA-N 320.198 -0.452 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1ccc(OC)c(OC)c1 737753237 SVXDNLAYQASAOF-UHFFFAOYSA-N 318.351 -0.086 50 20 DBGD COC(=O)CN(CC#N)CC(=O)NNC(=O)c1ccc(C)cc1 746455185 MVYBVJOUFJAYHY-UHFFFAOYSA-N 318.333 -0.245 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)NCc1ccco1 746839142 QYDNCMVVJPIJNW-QMMMGPOBSA-N 303.340 -0.209 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C(C)(C)O 756829799 MGPLFMKCKAONOC-UHFFFAOYSA-N 304.347 -0.388 50 20 DBGD Cn1ncc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1N 759380187 VYBOCALRPFFDAJ-UHFFFAOYSA-N 314.305 -0.286 50 20 DBGD COc1nccnc1NNC(=O)c1cccn2c(O)nnc12 764481779 NBHGVSZWOFNBSC-UHFFFAOYSA-N 301.266 -0.010 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](N(C)C)[C@H](SC)C1 775999649 HZUOPWCLTJTKKQ-GARJFASQSA-N 302.444 -0.090 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n1 785841410 WAONGXVGOVMGPY-UHFFFAOYSA-N 323.334 -0.707 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)NCc2nnn(C)n2)cc1 787444263 MCGWJGFUTDHOED-UHFFFAOYSA-N 319.325 -0.572 50 20 DBGD O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)C(=O)NC1CC1 792854746 NFXIMIWGIJRWIZ-UHFFFAOYSA-N 301.306 -0.469 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802105143 PWKGCEBVRNFXRS-UHFFFAOYSA-N 309.282 -0.503 50 20 DBGD CCn1ccnc1C(=O)NNC(=O)CNC(=O)c1ccco1 813433713 AMBMCTIZOGIDPT-UHFFFAOYSA-N 305.294 -0.313 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 826744444 KQBWTOHDGFSVEH-APPZFPTMSA-N 300.315 -0.808 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843980191 RPDXKDATKCTQED-MWLCHTKSSA-N 309.322 -0.110 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)OCC(F)(F)F 856021633 SAQWFOQTQSUETI-YFKPBYRVSA-N 306.262 -0.013 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)N1 858697745 VKBXDGMESIPHEL-KOLCDFICSA-N 320.353 -0.392 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cnn1C(C)(C)C 862451722 PQSQIYBRVFQOPI-SNVBAGLBSA-N 307.354 -0.014 50 20 DBGD COC(=O)[C@H](CC(F)F)NC(=O)c1ccc(B(O)O)cc1 863877533 GNHJVUBNRVPJML-VIFPVBQESA-N 301.054 -0.707 50 20 DBGD Cc1ccn(C[C@H](C)C(=O)NNC(=O)C(=O)N2CCCC2)n1 865071175 QPRHBQMBNGGYIF-JTQLQIEISA-N 307.354 -0.403 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H]1C(F)(F)F 912094959 WJIQQGSQXMZOFM-SNVBAGLBSA-N 307.008 -0.134 50 20 DBGD CC(C)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 915776001 LYRXWPAFYMLNDL-UHFFFAOYSA-N 324.362 -0.360 50 20 DBGD CC[C@H](CN1CCOCC1)NC(=O)c1cccc(B(O)O)c1 928635654 NFLPFAHSSRWPRZ-CQSZACIVSA-N 306.171 -0.793 50 20 DBGD NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)CO)cc2)C1 1116573854 QGETWLPIRJNKPR-LLVKDONJSA-N 320.349 -0.858 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccc1C(N)=O 1116620963 PFHOAMPJRQRJHS-UHFFFAOYSA-N 318.333 -0.020 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccn(CCCOC)n1 1116627356 OVOJESLVBZVVON-UHFFFAOYSA-N 313.314 -0.365 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nnc(SC)s1 1116721630 OMHZBWOSPNOTNE-UHFFFAOYSA-N 305.341 -0.737 50 20 DBGD CSC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1320794274 GXTBEJOOWPBWJW-SSDOTTSWSA-N 307.397 -0.601 50 20 DBGD CS(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)CC1 1322653566 WYRZBCHXWMFWPQ-NSHDSACASA-N 317.411 -0.557 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 1323941345 PMCWPQSEFTUWNZ-UHFFFAOYSA-N 310.285 -0.334 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C(F)(F)c1nccs1 1324589516 QJXZQTQGJLTIQB-UHFFFAOYSA-N 306.294 -0.093 50 20 DBGD CCN1C[C@@H](CNC(=O)NNC(=O)c2cnn(C)c2)CC1=O 1329638000 ZSXTUFNOWLUZRV-SECBINFHSA-N 308.342 -0.768 50 20 DBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNc1ncccn1 1329986399 DBUFSVLTFXKWAL-UHFFFAOYSA-N 308.323 -0.265 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2nccc(Cl)c2F)N1 1351627496 HBTATTOYBPAYJN-ZCFIWIBFSA-N 300.677 -0.086 50 20 DBGD O=C(NCCCN1CCNCC1)NNC(=O)[C@@H]1CCCS1 1580682707 QHSZQXLQUJJIJS-NSHDSACASA-N 315.443 -0.492 50 20 DBGD CCC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 1594712328 HPUMTMPRFXBBJJ-SNVBAGLBSA-N 321.289 -0.577 50 20 DBGD Cn1ccc([C@H](NS(=O)(=O)CBr)C(=O)O)n1 1600976739 UYSXNQKVWYXGGI-LURJTMIESA-N 312.145 -0.182 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(F)F 1601635361 DYUVJWNTPWWLFZ-UHFFFAOYSA-N 317.204 -0.542 50 20 DBGD OB(O)c1ccc(CNCCc2ccc(-c3nn[nH]n3)cc2)cc1 1607092373 XAJMITXHWOQHIC-UHFFFAOYSA-N 323.165 -0.121 50 20 DBGD O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)CN1CCCC1=O 1608285811 AONKLZORUCZLLG-XQRVVYSFSA-N 321.289 -0.239 50 20 DBGD C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337866 CGCLBJBWBYATSG-CLLJXQQHSA-N 320.393 -0.369 50 20 DBGD Cn1nc(C(=O)NNC(=O)Cc2ccccc2F)ccc1=O 66784569 IWFCIMLAFOQLDJ-UHFFFAOYSA-N 304.281 -0.077 50 20 DBGD CNC(=O)[C@H](C)CN(C)CC(=O)NNC(=O)c1ccc(F)cc1 81527073 OLOANLUBFKJYPK-SNVBAGLBSA-N 324.356 -0.099 50 20 DBGD C=C(C)CNC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 138960827 BTBZGMAJMMYGJP-MRVPVSSYSA-N 306.413 -0.572 50 20 DBGD C[C@H]1CCNC(=O)[C@H]1NCC(=O)NNC(=O)c1ccccc1 193650345 NDBQWFLMQOSIKQ-GWCFXTLKSA-N 304.350 -0.438 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCSC1 266741245 LXVISRKSPMOJNH-MRVPVSSYSA-N 312.351 -0.155 50 20 DBGD COc1cccc(NNC(=O)CCC(=O)NCCNC(C)=O)n1 272588189 ZQSDBTHNCJSMAU-UHFFFAOYSA-N 323.353 -0.434 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CCS(=O)(=O)N(C)C)n1 279804200 MXMOWCGHCCJIHA-UHFFFAOYSA-N 314.367 -0.567 50 20 DBGD COC(=O)[C@H](CO)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C 490843608 OOGJZCSRVYWGMA-KPVYPLCOSA-N 316.317 -0.238 50 20 DBGD O=C(CCCCN1CCOCC1)Nc1cccc(B(O)O)c1 584914170 QVWQMTPTMVXGFL-UHFFFAOYSA-N 306.171 -0.193 50 20 DBGD O=C(CCNC(=O)c1cccc(B(O)O)c1)NC1CCCCC1 584932496 MXXCOKXRLHBNSG-UHFFFAOYSA-N 318.182 -0.065 50 20 DBGD CCC(=O)N[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584938028 UPUZCENTBXOSMK-ZDUSSCGKSA-N 304.155 -0.503 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](n2cncn2)C1 584942744 VWDHVLKAPKHBQH-LLVKDONJSA-N 318.117 -0.426 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CN1C1CC1 584957682 KMTIOVGSEPSHCT-MWLCHTKSSA-N 306.146 -0.140 50 20 DBGD C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc(B(O)O)c1 584978512 UAQHPQJGOXFHEL-ZDUSSCGKSA-N 319.214 -0.878 50 20 DBGD COCCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCO[C@@H]1C 584981352 DVPLRZVTGBQXLN-BXUZGUMPSA-N 307.155 -0.368 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@@](=O)C1 584982039 IAKGKFKEPBYINS-JLTPVHFHSA-N 313.159 -0.654 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 728852735 ROCDQYXPMVVFMA-LLVKDONJSA-N 302.334 -0.218 50 20 DBGD C=CCN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 733197785 BPUXDPPHDQARIL-LLVKDONJSA-N 315.395 -0.781 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)Cn1cccn1 735511418 YCFDKNRYWPQXHV-SNVBAGLBSA-N 305.342 -0.103 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)N(C)C 746001276 FZCMZICHCVSUEW-JTQLQIEISA-N 320.415 -0.117 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)C(C)C)c([N+](=O)[O-])n1 756930185 RXXAXOISYOBZPW-UHFFFAOYSA-N 305.316 -0.223 50 20 DBGD Cc1ccncc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758034947 IYMOFQKRTGCECT-MRVPVSSYSA-N 300.340 -0.911 50 20 DBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 763564202 XLEOOGSSZKFIKL-UHFFFAOYSA-N 305.290 -0.031 50 20 DBGD COCC(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21 764299718 HHWMLOQMKXLRJP-UHFFFAOYSA-N 309.297 -0.101 50 20 DBGD COc1nccnc1NNC(=O)CNC(=O)c1ccncc1 764464734 HSDOBVLKYFBVJM-UHFFFAOYSA-N 302.294 -0.247 50 20 DBGD O=C(CO)NNC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 768728045 APWQDTCYGVUBGM-UHFFFAOYSA-N 319.317 -0.326 50 20 DBGD Cn1ncc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1N 777789740 HCKYUAMEGNYLFA-LLVKDONJSA-N 317.305 -0.397 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3C[C@]3(CO)C2)cc1 782634503 RNTXYFMSAJDGJH-XJKSGUPXSA-N 314.345 -0.367 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)c1cccc(F)n1 816872131 CANFBZJELUNJGK-QMMMGPOBSA-N 304.285 -0.164 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCOC[C@H]1CCOC1 825979293 NPPUZDSOHMPGLA-SDDRHHMPSA-N 315.370 -0.205 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827260671 VEJFPBRVKFMBCO-JXUBOQSCSA-N 314.342 -0.802 50 20 DBGD CC(=O)NCCN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 830148183 KHVDVPVYPSEDKA-UHFFFAOYSA-N 317.349 -0.613 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 842593755 XKJLIFOUJUEAAZ-DCAQKATOSA-N 306.384 -0.069 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNc2ncncc2F)C1 846721613 NAHIQMKQIRGMKJ-ZETCQYMHSA-N 318.334 -0.724 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2nnc3ccccn23)N1 860611234 JTDFYHLMFXGXSK-ZETCQYMHSA-N 303.282 -0.839 50 20 DBGD Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 861947562 ZQSMKMLVQRDMQY-JTQLQIEISA-N 322.296 -0.501 50 20 DBGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1=O 862452073 SUGDTRAWMQLZQJ-GXSJLCMTSA-N 324.381 -0.551 50 20 DBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNC(=O)c1cn[nH]c1 862470132 ALPRPLYLMNQRRL-ZETCQYMHSA-N 321.259 -0.126 50 20 DBGD COc1ccnc(C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 863090358 JQHKWXWGVVHPOX-SECBINFHSA-N 314.367 -0.132 50 20 DBGD CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1cccc(B(O)O)c1)C2 909785749 YHIQORDUBPASRS-LNSITVRQSA-N 302.183 -0.174 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNc1nccn(C)c1=O 1116199456 CHSWQDYZXNJVPV-UHFFFAOYSA-N 309.351 -0.155 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc2cncn12 1118942439 CVYUIJOTWHGDBZ-NSHDSACASA-N 301.306 -0.318 50 20 DBGD C[C@@H](C(=O)NNC(=O)C1CCC1)S(=O)(=O)C1CCOCC1 1319754488 LDWFSUOEMUIEKZ-VIFPVBQESA-N 318.395 -0.084 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CN3CCCC3=O)nc21 1319879075 NMLYQTYQENPWKD-UHFFFAOYSA-N 305.298 -0.866 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(CN2CCCC2)c1 1320238292 YJVRLCNMSUDUKW-UHFFFAOYSA-N 320.349 -0.639 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)Cc1ccncc1 1323486272 WRFIPIOLGQIINB-UHFFFAOYSA-N 314.367 -0.611 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 1325539021 ILIXSGYHCYWEAK-UHFFFAOYSA-N 322.256 -0.268 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1 1327788360 ZAQPDBVTLOPMGS-JTQLQIEISA-N 312.370 -0.103 50 20 DBGD C[C@H](CN)CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1328985175 NZTPDHBZNODQCG-XLDPMVHQSA-N 306.204 -0.013 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ncccc1F 1333779357 PUBGRWRXZODYTD-SSDOTTSWSA-N 301.299 -0.584 50 20 DBGD Cn1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)n1 1340464602 FGWQPVFENOCPQI-UHFFFAOYSA-N 303.326 -0.196 50 20 DBGD CC(C)(C)c1cc(C(=O)NNC(=O)CCCN)nc2ncnn12 1575267888 NDVAFPCKJCJQQL-UHFFFAOYSA-N 319.369 -0.078 50 20 DBGD COCCN(CCC(=O)O)[C@H](C)C(=O)NNC(=O)CC(C)C 1594011040 CUFVALCFLYZROZ-LLVKDONJSA-N 317.386 -0.009 50 20 DBGD O=C(O)/C=C\c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)o1 1601876544 GYEUONGXWXIRPA-XQRVVYSFSA-N 321.289 -0.239 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)cn1 1605481110 KVRSUQBWIKPCAY-WCBMZHEXSA-N 310.310 -0.549 50 20 DBGD O=C(O)C[C@H]1C(=O)NCCN1CCI 1608690212 CCZVDNZDALDFRB-LURJTMIESA-N 312.107 -0.304 50 20 DBGD CCOc1cc(C=NNC(=O)C(N)=O)ccc1OCC(=O)O 1776015916 PBCVJDJOPVAXKR-UHFFFAOYSA-N 309.278 -0.516 50 20 DBGD C[C@@H]1CN(C)C[C@@H](C(=O)NN=Cc2cc(C(=O)O)nn2C)O1 1776092555 RTSJPKDLXWNEPV-KCJUWKMLSA-N 309.326 -0.713 50 20 DBGD O=C(CSC(F)(F)F)NNC(=O)[C@H]1CCS(=O)(=O)C1 41785337 WFAXSUYEJUCLNK-YFKPBYRVSA-N 320.314 -0.179 50 20 DBGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C1CCC1 264725057 IGERWXTWPZVNFK-UHFFFAOYSA-N 310.335 -0.034 50 20 DBGD COCC(=O)N[C@H](C(=O)NNc1nc2ccccn2n1)C(C)C 276679336 BYCMIGYZVCMAPF-LBPRGKRZSA-N 320.353 -0.040 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)o1 278643564 OBMAQZUHPOJFKQ-UHFFFAOYSA-N 310.310 -0.332 50 20 DBGD CO[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 280180034 CNFXPLJYUCTKGU-GFCCVEGCSA-N 306.322 -0.616 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3nc[nH]c3n2)CC1 287984709 NOKCBROWLDIRJG-UHFFFAOYSA-N 303.326 -0.440 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O 289868505 WEZSKKGVBJWZBT-VXGBXAGGSA-N 305.334 0.000 50 20 DBGD CCO/C=C(\C#N)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 292829028 WLQDWJIRCJIXAK-UQSGXBNBSA-N 301.368 -0.077 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)S(C)(=O)=O 298825756 WAUSKBORKRCNPJ-SECBINFHSA-N 313.379 -0.053 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNC(=O)c2ccccn2)C1=O 299276226 NRGQKLQRMYVPIU-UHFFFAOYSA-N 319.321 -0.483 50 20 DBGD CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNC(=O)CO 495263239 FNXBLBDVDIXBKM-VIFPVBQESA-N 301.343 -0.084 50 20 DBGD COCCCN1CCC(NCc2cccc(B(O)O)c2)CC1 585021539 WPZHUURSZTYVHB-UHFFFAOYSA-N 306.215 -0.043 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)o2)CCN1c1ccccc1F 585024030 PLKNJLQLGXYXIC-GFCCVEGCSA-N 318.113 -0.006 50 20 DBGD C[C@@H](CCN1CCN(C)CC1)NCc1ccccc1B(O)O 585036272 GZGSQRKQWDVXCC-AWEZNQCLSA-N 305.231 -0.518 50 20 DBGD O=C(CSc1nncs1)NNC(=O)N1CCOCC1 745996000 HLWCKLYONJLDFQ-UHFFFAOYSA-N 303.369 -0.297 50 20 DBGD COc1ccnc(NNC(=O)c2ccc3nnc(O)n3c2)n1 754409513 KFDLWWDVDXOHNW-UHFFFAOYSA-N 301.266 -0.010 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N(C)C 754476139 UREJYIPYBQLOIG-NSHDSACASA-N 307.354 -0.701 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)n(-c2ccccc2)n1 764430691 ZILRDTBUUORNDB-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD CCNC(=O)CC(=O)NNc1ncc(C(=O)OCC)c(C)n1 781020463 MHOJZHHPPQOTES-UHFFFAOYSA-N 309.326 -0.069 50 20 DBGD COc1cccc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)n1 781024410 YVAPBHSHTSRHMI-PELKAZGASA-N 308.338 -0.191 50 20 DBGD CCN(CC)C(=O)CCC(=O)NNC(=O)N1CCN(C)CC1 788166948 SLGQQBKBFAREJW-UHFFFAOYSA-N 313.402 -0.377 50 20 DBGD C[C@@H](C(=O)NNc1nc2ccccn2n1)N1CCN(C)CC1 791257734 MNOWGEGVMNNVBU-NSHDSACASA-N 303.370 -0.192 50 20 DBGD C=C(CBr)COC(=O)CNC(=O)CNC(C)=O 795458853 NTWLPIJIGJEASM-UHFFFAOYSA-N 307.144 -0.267 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NCCn2cnnn2)cc(C#N)n1C 807920206 OVFZHVHNUPLUEZ-LFYBBSHMSA-N 310.321 -0.085 50 20 DBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)c1ccncc1 811861094 UEEDEOKKWLINIY-ZDUSSCGKSA-N 306.347 -0.092 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NC[C@H](C)O)cc(-c2nn[nH]n2)n1C 826235137 CMSHXLSXYLZGSP-TYXSZMRMSA-N 315.337 -0.082 50 20 DBGD O=C(NNc1ncccn1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 826449942 QAOUNLJNSVQPLD-JTQLQIEISA-N 312.293 -0.167 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 832691377 HLXUKEXXEDCZPK-WPRPVWTQSA-N 322.321 -0.399 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1ncc(F)cc1F 838410355 BQOBMBURSOFWGH-UHFFFAOYSA-N 323.325 -0.075 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 841399903 OHEJEOUBMFGWRP-QPUJVOFHSA-N 317.305 -0.479 50 20 DBGD COCCNCCNC(=O)NNC(=O)Cc1ccc(F)cc1 841968187 MTUBLTMGMKSFIR-UHFFFAOYSA-N 312.345 -0.065 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(CO)(NC(C)C)CC1 846937545 KZYWDEOFRLZLSD-LBPRGKRZSA-N 314.430 -0.243 50 20 DBGD COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)CCl)C1 849389173 FTXGSUMPRBJDCB-ZJUUUORDSA-N 301.792 -0.142 50 20 DBGD CNC[C@H](C)NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 851683145 ZFDSYDFGWKLUQR-ZETCQYMHSA-N 311.298 -0.148 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CC[C@H]1C(N)=O 854285217 JGODHYPVFGEZNH-RKDXNWHRSA-N 302.400 -0.628 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)c1ncccn1)C(=O)OC(C)(C)C 854952842 OCZNDGZZANYSTI-CQSZACIVSA-N 324.337 -0.016 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=S)NCC2CCC2)nn1 855091024 YPLUADWIHNTNRF-QMMMGPOBSA-N 312.399 -0.373 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNc3ncccn3)CC2=O)cn1 858319474 AGKXPHZJPYWPHS-VIFPVBQESA-N 301.310 -0.294 50 20 DBGD Cc1cc(C)c(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 858524566 FWENKIHIFXBFPA-NSHDSACASA-N 305.338 -0.193 50 20 DBGD COC(=O)c1ccc(O)c(C=NNC(=O)[C@@H]2CCC(=O)N2)c1 863149262 WDCALGAHYOXRSL-JTQLQIEISA-N 305.290 -0.093 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)[C@H]1CCC(=O)N1 863203147 BLJWIUMAIFUTFJ-NXEZZACHSA-N 313.427 -0.755 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)sc1C 863414345 ZSGXQGPOMKPZOE-QMMMGPOBSA-N 317.392 -0.047 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(F)c(F)c1 863462100 GSNYCBZLEZBIQD-UHFFFAOYSA-N 306.290 -0.301 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C 913535888 HQHKCCQLTJFRMA-VIFPVBQESA-N 317.349 -0.212 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NC(C)C)co1 1116379055 NTQPWLKOAUCRRY-UHFFFAOYSA-N 304.328 -0.460 50 20 DBGD O=C(NCC1CC1)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116751670 RWUHIMAXCLHQOZ-UHFFFAOYSA-N 305.338 -0.424 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)C(=O)Nc2ccccn2)n1 1118778839 YFENIAWFTBANQV-UHFFFAOYSA-N 302.294 -0.627 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)CN1C(=O)CNC1=O 1251723645 ABAXEPGJRHGXPC-UHFFFAOYSA-N 308.269 -0.933 50 20 DBGD CC(C)CS(=O)(=O)CCC(=O)NNc1nccn(C)c1=O 1252518088 DLSHLAYTICDXRL-UHFFFAOYSA-N 316.383 -0.316 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC(=O)N(C)C1CCCCC1 1252842334 JQAWHSQYGWUFKW-UHFFFAOYSA-N 314.342 -0.719 50 20 DBGD O=C(CCCCN1CCOCC1)NNC(=O)Cc1cc[nH]n1 1256381357 CMXKHWUNFYDEJF-UHFFFAOYSA-N 309.370 -0.398 50 20 DBGD Cc1noc(CCCC(=O)NNC(=O)C(=O)N2CCCC2)n1 1322188713 ZWKJIFMJVXTDRM-UHFFFAOYSA-N 309.326 -0.529 50 20 DBGD COC(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1322450452 POYYVZPNNCYOPZ-UHFFFAOYSA-N 308.337 -0.361 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cc(C)ncn1 1323033562 MPPZYJJNHIMFGD-SNVBAGLBSA-N 311.342 -0.333 50 20 DBGD O=C(CN1CCN(C2CCOCC2)CC1)NNC(=O)C1CC1 1324198260 DTXOLEBTCIYXJX-UHFFFAOYSA-N 310.398 -0.660 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(C(C)(F)F)CC1 1329568858 ASYJVUZQKZXJLD-ZCFIWIBFSA-N 313.326 -0.493 50 20 DBGD Nc1cnnc(NNC(=O)[C@H]2CCc3nnnn3CC2)c1Cl 1349552594 BXSKZAJFNRVGEA-LURJTMIESA-N 323.748 -0.206 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@@]3(CCNC3)C2)cn1 1579959678 UUXDDUHIXUIQJJ-MRHLJLSQSA-N 301.350 -0.082 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)C1CCOCC1 1592501969 YFJRGNBCVDBONB-UHFFFAOYSA-N 320.309 -0.044 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)[nH]1 1595116599 MGWYKQZBGRJBDD-UHFFFAOYSA-N 310.310 -0.221 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC(C)(C)CC(=O)O 1599249112 UQSIOADPGRPTNL-VIFPVBQESA-N 319.358 -0.131 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)C(=O)NNc1ncccc1F 1601022822 IBDHSSWCJJLMSJ-UHFFFAOYSA-N 322.256 -0.266 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)O1 1601156754 AMRRYTUCSRSHDP-VHSXEESVSA-N 311.269 0.000 50 20 DBGD O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)[C@@H]1COCCO1 1605814742 QXUROPKMDBPWKA-VHSXEESVSA-N 300.311 -0.560 50 20 DBGD O=C(NNC(=O)C1CCOCC1)c1cccc(-c2nn[nH]n2)n1 1606851900 RMTPUDJWUMXROL-UHFFFAOYSA-N 317.309 -0.551 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=S)NCCc1cccs1 21124412 RMKFGPIALDIDBL-ZETCQYMHSA-N 315.424 -0.157 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-n2nccn2)cc1 155892488 VGSVMUWIESMPSF-UHFFFAOYSA-N 303.326 -0.018 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)CNc2cccc(OC)c2)CC1 264428133 YZEMOUOECPEKLN-UHFFFAOYSA-N 320.349 -0.219 50 20 DBGD COc1cc(C)nc(NNC(=O)CN2CCCS2(=O)=O)n1 266893717 FYPPZYRIHJZNJH-UHFFFAOYSA-N 315.355 -0.728 50 20 DBGD COc1cc(C)nc(NNC(=O)Cn2ccc(O)nc2=O)n1 266956523 SUMLYGCLWZQQSX-UHFFFAOYSA-N 306.282 -0.801 50 20 DBGD N#Cc1ccc(NNC(=O)CN2CCS(=O)(=O)CC2)cc1 269578858 IAISFOLQQDWICY-UHFFFAOYSA-N 308.363 -0.268 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](O)CCc1ccccc1 270878682 OMPOPSZZHXBRJJ-GFCCVEGCSA-N 307.350 -0.348 50 20 DBGD COC(=O)NNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 274310405 TZUOVQUPPCXKBL-NSHDSACASA-N 307.306 -0.199 50 20 DBGD CCCc1nnc(SCC(=O)NNc2cnccn2)n1N 291712648 QATCXSDPIZSXGK-UHFFFAOYSA-N 308.371 -0.030 50 20 DBGD O=C(CN(CCO)CCCO)NNC(=O)c1cccs1 385876442 OTGKNCADMSTWLH-UHFFFAOYSA-N 301.368 -0.814 50 20 DBGD O=C(CN1CCN(C2CC2)C1=O)Nc1cccc(B(O)O)c1 584913022 YZJOOORXFJIJNV-UHFFFAOYSA-N 303.127 -0.795 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(Cn2cncn2)CC1 584975255 UWSFZGCEUNAKAS-UHFFFAOYSA-N 314.154 -0.490 50 20 DBGD CC(C)(C)n1ncnc1CNC(=O)c1cccc(B(O)O)c1 584986935 OIQIVFLDNACHQZ-UHFFFAOYSA-N 302.143 -0.357 50 20 DBGD CCN(CC(=O)N(C)C)[C@@H](C)C(=O)NNC(=O)CC(C)C 741788698 ZKRMMGASHXVXSY-NSHDSACASA-N 300.403 -0.022 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O)n1 746823145 VPSGEXBDTBAPGN-MRVPVSSYSA-N 316.383 -0.672 50 20 DBGD Cn1nc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1OC(F)F 767983026 XSTIQEWDTWUBEL-UHFFFAOYSA-N 314.252 -0.252 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C(N)=O)n2)n1 781586762 YGMYTWWKZDAAIY-UHFFFAOYSA-N 316.321 -0.545 50 20 DBGD COC(=O)[C@H]1[C@H](O)CCCN1CC(=O)NNC(=O)C(C)(C)C 781958126 KEUKJWXLFQUQRZ-MWLCHTKSSA-N 315.370 -0.822 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(OC)CCOCC1 786216477 SNZYOFJFUBENMV-UHFFFAOYSA-N 315.370 -0.366 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)NC1CCCCC1 787947084 JJQMOTWCTIOLQK-UHFFFAOYSA-N 300.359 -0.463 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc2nn[nH]c2cc1F 789748741 URWCLJBZYCJDMX-UHFFFAOYSA-N 308.273 -0.216 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H](C)[C@H](C)C(=O)NNC(=O)C(C)C 790119668 SZRVBOAIZNYFFO-UWVGGRQHSA-N 314.386 -0.135 50 20 DBGD Cn1cc(C=NNC(=O)Cc2ccc(F)cc2)c(=O)n(C)c1=O 807182664 IGIVYEMUHSDFOT-UHFFFAOYSA-N 318.308 -0.084 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CCN1C(=O)CCNC1=S 816824080 ORQXZZFSLABDSR-UHFFFAOYSA-N 323.378 -0.717 50 20 DBGD Cc1cccc2c1O[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C2 823943669 LFIBEYQVQJSNQB-LLVKDONJSA-N 305.334 -0.029 50 20 DBGD CC[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 825679883 NOBDJNFDJDDVRY-SNVBAGLBSA-N 319.325 -0.418 50 20 DBGD O=C1C[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CN1 826478535 DVNCFSDKDTZDRN-LURJTMIESA-N 322.716 -0.506 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@H]1COCCO1 852495429 KGOIHGXXFRJRJZ-RYUDHWBXSA-N 301.387 -0.084 50 20 DBGD CNC(=S)N(C)NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 854920388 FVKZXGUWJWHGIF-SSDOTTSWSA-N 310.387 -0.575 50 20 DBGD C=CC(=O)N(C)CC(=O)NNC(=O)COc1ccccc1OC 858126923 NJQWZNVUQPSNNH-UHFFFAOYSA-N 321.333 -0.134 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)N1 858700452 LZKBMCKXWQLUMQ-IXPVHAAZSA-N 322.365 -0.351 50 20 DBGD CCO[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 858750074 KCVSRBNRMNDDTC-UWVGGRQHSA-N 319.383 -0.681 50 20 DBGD CO[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461548 PVOPHXPZKHAPBV-NWDGAFQWSA-N 305.334 -0.330 50 20 DBGD O=C(NC1CCC2(CC1)OCCO2)c1ccc(B(O)O)cc1 863868966 HBFOCCGTKPSLNF-UHFFFAOYSA-N 305.139 -0.218 50 20 DBGD CN(CC(=O)OC(C)(C)C)C(=O)c1cc(B(O)O)ccc1F 863880636 DLDBSZMFNHROIF-UHFFFAOYSA-N 311.118 -0.081 50 20 DBGD CN(C)c1cccnc1C(=O)NNC(=O)C(=O)N1CCCC1 900455747 YSGIDWHHXMVJPV-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD COC[C@@H](CNC(=O)NNc1nncc(N)c1Cl)OC 1116521768 WYABBNSZZRRJFU-ZCFIWIBFSA-N 304.738 0.000 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CS(C)(=O)=O 1116637987 IMNOETCSMPAMPJ-SFYZADRCSA-N 308.356 -0.844 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1=CCCOC1 1117440392 RIRVZWSNOYOHHL-SNVBAGLBSA-N 301.343 -0.285 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C2CCC2)n1 1261439136 BQZNAZUKQQAZNH-UHFFFAOYSA-N 305.338 -0.273 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)CCN1 1319467580 QSDSAURRSKBNIQ-SNVBAGLBSA-N 315.333 -0.450 50 20 DBGD Cc1cc(NNC(=O)c2cn(CC(=O)N(C)C)nn2)ncn1 1321843701 AKMLQDVIMVXGCI-UHFFFAOYSA-N 304.314 -0.778 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1c[nH]nc1C 1329232614 RQYSCCBDZNSFCE-UHFFFAOYSA-N 317.371 -0.668 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1548641904 BUEJTXVYRHJREM-SCZZXKLOSA-N 309.395 -0.399 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ncncc1Cl 1592941534 DBUDYLHVLGOGIA-UHFFFAOYSA-N 321.692 -0.955 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)N(C)C)cc1C(=O)O 1600747732 OAXNGOLWOKPSPW-UHFFFAOYSA-N 302.312 -0.447 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCc2cccc(C(=O)O)c2)nn1 1605481118 LEUWYEOOTHQBCJ-UHFFFAOYSA-N 318.293 -0.343 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)NCC(=O)O)c(C)s1 1607707261 XHPRXGDFOKZYCK-UHFFFAOYSA-N 307.353 -0.058 50 20 DBGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)C(=O)NC1CC1 10214342 BLAMKAMCILQRFB-UHFFFAOYSA-N 322.277 -0.357 50 20 DBGD O=C(Cn1ccc(=O)[nH]c1=O)NNc1ccccc1[N+](=O)[O-] 15631730 NFGVYBKSYLQBOX-UHFFFAOYSA-N 305.250 -0.412 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)NC2CC2)cs1 49128661 XNSORXVFSXRFAN-UHFFFAOYSA-N 304.353 -0.498 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCN(C)C(=O)C2)n1 78885685 WKNDHIVAJJHLAJ-LLVKDONJSA-N 307.354 -0.484 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(Cl)Cl 273459305 HKXPWELBBAMBRF-BYPYZUCNSA-N 306.171 -0.735 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O 289868483 WEZSKKGVBJWZBT-NWDGAFQWSA-N 305.334 0.000 50 20 DBGD COC(=O)NCCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 490904731 LMQWULNBIXAGBR-SNVBAGLBSA-N 321.399 -0.385 50 20 DBGD O=C(NCCOC[C@H]1CCCO1)c1ccc(B(O)O)c(F)c1 584947203 IUFYPLOCNBGMNQ-LLVKDONJSA-N 311.118 -0.569 50 20 DBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)CN1CCOCC1 584949212 LHEPDAHGUQVNRB-LBPRGKRZSA-N 306.171 -0.936 50 20 DBGD O=C(NCCCCn1cnnc1)c1cc(B(O)O)ccc1F 584954342 FPIADNQSCOPMGS-UHFFFAOYSA-N 306.106 -0.693 50 20 DBGD CCc1nn(C)c(OC)c1CNC(=O)c1ccc(B(O)O)cc1 584971178 ZGEDAIPTULBNFY-UHFFFAOYSA-N 317.154 -0.399 50 20 DBGD CC[C@@](NC(=O)c1ccc(B(O)O)c(F)c1)(C(N)=O)C1CC1 584978818 YBCBNSYXJHWWMJ-AWEZNQCLSA-N 308.118 -0.721 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584997600 ICDUTIDGFADIJN-CDGCEXEKSA-N 303.098 -0.469 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)CCN1C1CCCCC1 585049185 CTIXYRIOJLAPHI-ZDUSSCGKSA-N 306.171 -0.017 50 20 DBGD COc1cccc(NCC(=O)NNC(=S)NCC(N)=O)c1 727067297 YYQHPFCCDAYMKF-UHFFFAOYSA-N 311.367 -0.912 50 20 DBGD CCCCNC(=O)NNC(=S)NCCNS(C)(=O)=O 727086054 WDVGESHYSSJDIQ-UHFFFAOYSA-N 311.433 -0.986 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1COc2cc(O)ccc21 728434618 OAARPQTXOPTXMK-ZETCQYMHSA-N 313.335 -0.457 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 731891852 RBTUDQBTUHICSS-LLVKDONJSA-N 315.337 -0.625 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)CNC(=O)c1cccs1 754997552 VRUDWBKJPXGOGV-LBPRGKRZSA-N 315.351 -0.977 50 20 DBGD N#CCCn1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 756652802 BBEBOKBFWWZZHA-UHFFFAOYSA-N 302.298 -0.085 50 20 DBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(C)=O)c2ccccc2O1 763516886 PBLZFXZMYOTZIX-LLVKDONJSA-N 321.289 -0.879 50 20 DBGD COC(=O)[C@]1(N[C@@H](C)C(=O)NNC(=O)CC(C)C)CCOC1 767684139 LJKPSLIYMVPSDS-HZMBPMFUSA-N 315.370 -0.510 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C(C)(C)C(N)=O 770697966 DVZKWZCXVCAMMN-UHFFFAOYSA-N 316.358 -0.440 50 20 DBGD C#CCN1CCC(C(=O)O[C@H](C)C(=O)NNC(=O)CC)CC1 772114078 USOKXIHSYONLBN-LLVKDONJSA-N 309.366 -0.179 50 20 DBGD O=C(NNc1ncccn1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779593901 OTRRZGRLNFSIAD-MNOVXSKESA-N 314.305 -0.110 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)(C)n1cncn1 794508608 PZMBRDJCULRIKH-MRVPVSSYSA-N 316.387 -0.557 50 20 DBGD CSCC(C)(C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 800690808 OIFBFBRZUBDLRB-SSDOTTSWSA-N 311.429 -0.539 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 801616486 JDMSWLVCHABCAM-UHFFFAOYSA-N 321.249 -0.137 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H](C)n1cnc2c(N)ncnc21 831858271 OHWPDQXHEOFAQZ-ZETCQYMHSA-N 306.330 -0.338 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 832754432 IZTZCKUXJVFRNU-OAHLLOKOSA-N 305.334 -0.637 50 20 DBGD N#CC1=CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 845903531 DUQFAPXIXMUCFP-LBPRGKRZSA-N 318.308 -0.006 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCC(O)(CO)CC2)c1 852499805 ZPWFVVNFJFYLJA-UHFFFAOYSA-N 321.377 -0.425 50 20 DBGD O=C(NNC(=O)[C@]1(C2CCCC2)CCNC1=O)c1cc[nH]n1 862167775 BYFHWWDFCWJRIA-AWEZNQCLSA-N 305.338 -0.133 50 20 DBGD CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 862448292 BTIZBJWUKUEYFA-SECBINFHSA-N 306.322 -0.126 50 20 DBGD CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451562 DQIBNEGUXYOFBO-NSHDSACASA-N 318.333 -0.007 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2OCCc3ccccc32)N1 862457803 RABBPHKVVHHDJB-YPMHNXCESA-N 303.318 -0.274 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@@H]1C1OCCO1 863871872 FFDZDOSMPMBIMG-CYBMUJFWSA-N 305.139 -0.266 50 20 DBGD CC(=O)NNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 873739798 OLPHKTDMCKSRCA-SNVBAGLBSA-N 300.359 -0.295 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1=O 883413816 CSPVWEXYTOUHGV-LLVKDONJSA-N 312.370 -0.247 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cnc2ccccn12 913731761 VHBOZGYACRBBIM-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CN1 915684837 GYBKQOGFMNVLKJ-SKDRFNHKSA-N 319.317 -0.500 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)c(=O)n(C)c1 1116598709 SULHPXBFKUVVSN-UHFFFAOYSA-N 308.338 -0.174 50 20 DBGD Cn1ccc(CC(=O)NNc2ccccc2S(N)(=O)=O)n1 1118281215 FRFLLXQURSGUOK-UHFFFAOYSA-N 309.351 -0.247 50 20 DBGD CCCn1ncc(C(=O)NNC(=O)CN2CCCC2=O)c1C 1120683845 HGFRLKKLHVMDCS-UHFFFAOYSA-N 307.354 -0.015 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 1253618437 AJQPAHKAPMVSIE-OPRDCNLKSA-N 311.338 -0.163 50 20 DBGD O=C(CCC(F)(F)F)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1318733445 WQYBKOQCEJZQNM-ZCFIWIBFSA-N 317.289 -0.154 50 20 DBGD O=C(Cn1ccccc1=O)NNC(=O)C(=O)Nc1ccccn1 1319099398 RIANOUKWVIHOGX-UHFFFAOYSA-N 315.289 -0.971 50 20 DBGD Cc1c(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cnn1C 1324292970 YVWRHTBLQAGANQ-LBPRGKRZSA-N 314.411 -0.237 50 20 DBGD COCCOCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1324356407 FBAJXYZLYKZRHT-NSHDSACASA-N 308.400 -0.468 50 20 DBGD CC(C)CC(=O)N1CCN(CC(=O)NNC(=O)C(C)C)CC1 1324485912 GVUACSUQDCBTLY-UHFFFAOYSA-N 312.414 -0.020 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(-c2ccco2)nn1C 1326544812 XOAHAFKRYCOQPT-UHFFFAOYSA-N 321.293 -0.588 50 20 DBGD Cc1nonc1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1329675736 SGCDAQDYKSSOCQ-VIFPVBQESA-N 302.356 -0.587 50 20 DBGD COCc1nn(C)cc1C(=O)NNC(=O)Cc1cccnc1 1337696126 RWRJUXMTYKPVRS-UHFFFAOYSA-N 303.322 -0.035 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC2(N3CCOCC3)CC2)cn1 1343753978 UOUXEPIMYAMUDO-UHFFFAOYSA-N 322.369 -0.771 50 20 DBGD O=C(NN=C1CCN(CCO)CC1)[C@H]1CN2CCC[C@@H]2CO1 1549313927 JERMAYHWJYFBPM-ZIAGYGMSSA-N 310.398 -0.590 50 20 DBGD O=C(NNC(=S)Nc1ccccn1)[C@H]1NCc2n[nH]cc21 1580737034 HPMOOSBBSZMIHA-JTQLQIEISA-N 303.351 -0.033 50 20 DBGD O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)NNC(=O)C(=O)O 1601491306 IRUWHXCUOQJPHW-WDSKDSINSA-N 313.232 -0.099 50 20 DBGD COc1cc(C(=O)NNC(=O)C(C)(C)O)ccc1-c1nn[nH]n1 1605196857 RASWVHKEPRYDML-UHFFFAOYSA-N 320.309 -0.593 50 20 DBGD O=C(NCc1ccccc1-n1cccn1)NNC(=O)C(=O)O 1610697881 CAHWJGAXANDHKB-UHFFFAOYSA-N 303.278 -0.213 50 20 DBGD CC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347750 CZHNPEOMQFRLIM-ZJUUUORDSA-N 304.774 -0.440 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(N(C)CCCO)CC1 115547248 NGJYAFNIMUHWHM-LBPRGKRZSA-N 314.430 -0.289 50 20 DBGD O=C1NC(=O)c2cc(S(=O)(=O)NNC(=O)C3CCC3)ccc21 264690210 CCNFCHDBPLTSCP-UHFFFAOYSA-N 323.330 -0.320 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccc(C#N)cc1 273360448 COQDXWXWGLFYBW-VIFPVBQESA-N 324.362 -0.814 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)N(C)C)cc1 299326971 BCUGIGAFSZUXOE-UHFFFAOYSA-N 314.367 -0.099 50 20 DBGD COC(=O)NNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 491391256 HDHWIQJRFWBYCS-UHFFFAOYSA-N 306.275 -0.134 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)cc1 496669539 YACIFFARZYANLW-SCZZXKLOSA-N 320.305 -0.422 50 20 DBGD CN(C)[C@H](C(=O)Nc1cccc(B(O)O)c1)c1cncn1C 584912410 FJLMSZQDVPGWNH-ZDUSSCGKSA-N 302.143 -0.659 50 20 DBGD O=C(NC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)C1CC1 584973265 FICQHZJRUKWWFT-UHFFFAOYSA-N 316.166 -0.503 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@]12CCNC2=O 584995319 MEVHASNQVPSOQI-AWEZNQCLSA-N 306.102 -1.000 50 20 DBGD O=C(NCB(O)O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 585061664 XRTGKNWBWGZBCZ-UHFFFAOYSA-N 315.020 -0.577 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(-n2cnnn2)cc1 739454088 PLJBIWUPOMUACI-UWVGGRQHSA-N 316.277 -0.856 50 20 DBGD O=C(O)CCN(CC(=O)NNC(=O)C1CC1)C[C@H]1CCCO1 739716001 AYBMOKJDGORZLM-LLVKDONJSA-N 313.354 -0.501 50 20 DBGD C#CCNC(=S)NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 758182785 DHTNESIAXIAYHO-WOPDTQHZSA-N 312.439 -0.140 50 20 DBGD CS(=O)(=O)N1CCN(CC(=O)N2CC=C(C#N)CC2)CC1 760009592 RRVBDSUDBSDJOT-UHFFFAOYSA-N 312.395 -0.754 50 20 DBGD O=C(NNC(=O)C1(F)CCCC1)N[C@H]1CCS(=O)(=O)C1 772377080 WRSIANBHBMWZBP-QMMMGPOBSA-N 307.347 -0.214 50 20 DBGD CS[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1N(C)C 775999874 KDGDRNPYRQXZHK-MNOVXSKESA-N 300.428 -0.479 50 20 DBGD CCOc1cnc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 777783886 FAVDZHYZKWOOMH-UHFFFAOYSA-N 307.310 -0.741 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)N1CCc2cc(F)ccc21 802566859 GYDGFMVQGHSBEE-UHFFFAOYSA-N 308.313 -0.576 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC(=O)N1 831763945 PYLKCZFKLFOPJN-JTQLQIEISA-N 315.333 -0.860 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1cc(Cl)ccn1 831795118 XTHDVBIPRJAIQK-UHFFFAOYSA-N 307.763 -0.426 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)sn1 832674364 DHZFUFAAUNZTSO-YUMQZZPRSA-N 312.351 -0.038 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1CNCCO1 843436551 BIUOJPMMPKDVHQ-SNVBAGLBSA-N 313.379 -0.088 50 20 DBGD CC(C)NC1(CO)CCN(CC(=O)NNC(=O)C(C)C)CC1 846942195 YFKZPFVDGPXJRQ-UHFFFAOYSA-N 314.430 -0.385 50 20 DBGD COCCCNC(=S)N(C)NC(=O)Cn1cnc(C#N)n1 854283398 UUVNCIORMVQVJU-UHFFFAOYSA-N 311.371 -0.976 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=O)NC2CCCCC2)C1=O 858130191 BMGAHDWRQQEIPU-UHFFFAOYSA-N 311.342 -0.457 50 20 DBGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C12CCC2 858703152 SYYHVYNASJYCLA-IVZWLZJFSA-N 310.354 -0.447 50 20 DBGD O=Cc1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)cc1 858935932 RVXVSVLZYGIXPM-UHFFFAOYSA-N 303.318 -0.189 50 20 DBGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452346 DRHNYMXXAFPTTH-GARJFASQSA-N 313.354 -0.613 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862462218 ONBCSLZNLAQJDS-NSHDSACASA-N 319.317 -0.097 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNCC(F)(F)C(F)(F)F 863091179 OPQFORIXYPZVRU-UHFFFAOYSA-N 316.186 -0.233 50 20 DBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)CS(C)(=O)=O 863187866 SLAJHTGJMGFONA-VIFPVBQESA-N 315.351 -0.283 50 20 DBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863463413 ZCNKZWSAFZKLGB-DTWKUNHWSA-N 320.367 -0.842 50 20 DBGD C[C@@H]1CCCN1CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 897475718 AVDXJYDVGDXLCZ-YPMHNXCESA-N 318.443 -0.148 50 20 DBGD Cc1cc(C(=O)NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)n[nH]1 1117749906 QGTYZEASLKSONX-VIFPVBQESA-N 314.367 -0.306 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCc2c(nnn2C)C1 1118393125 AUGZWCSYZUESAW-IVZWLZJFSA-N 322.369 -0.572 50 20 DBGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc[nH]2)CC1 1318088410 WRWZMFMRFSFCOR-UHFFFAOYSA-N 314.367 -0.553 50 20 DBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1318737665 VINLOQRDMHLGNY-PHDIDXHHSA-N 317.289 -0.298 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C 1320241715 XWVKOYBFYBYWLO-UHFFFAOYSA-N 320.309 -0.991 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C 1321139201 JFVDNKZEZHXIET-UHFFFAOYSA-N 304.310 -0.227 50 20 DBGD O=C(NNC(=O)c1cccc(O)c1)N[C@H]1CCS(=O)(=O)C1 1325077802 SNXAESFIQKUBQU-VIFPVBQESA-N 313.335 -0.477 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2nc[nH]c2C(F)(F)F)N1 1329531155 RJHATPUSQYAAHX-SCSAIBSYSA-N 305.216 -0.532 50 20 DBGD COCCS(=O)(=O)c1ccc(C(=O)NN(C)C(N)=O)cc1 1337072320 DQHJGQNYFNKJEG-UHFFFAOYSA-N 315.351 -0.238 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCO[C@@H](C2CC2)C1 1342638412 QEVGVZXSASKJPM-NWDGAFQWSA-N 324.381 -0.103 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)[C@H]1CCC(=O)N1 1351373050 ZQNJHWATEBJXTR-DTWKUNHWSA-N 322.321 -0.929 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccn(CC(F)F)n2)N1 1351629507 YPOBRMTYHQYHLX-ZCFIWIBFSA-N 301.253 -0.812 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)[C@H]1CCS(=O)(=O)C1 1593154717 FXDCDFQJWSJZSX-ZETCQYMHSA-N 324.322 -0.656 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1C(=O)O 1594314597 NWQFMTQGLRCKJQ-UHFFFAOYSA-N 322.321 -0.659 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1C(=O)O 1610035248 MNWVSBBOQJEOIT-UHFFFAOYSA-N 323.305 -0.184 50 20 DBGD O=C(CN1CC[C@@](C(=O)O)(C(F)(F)F)C1)NNC(=O)C1CC1 1610662781 QKVRATOVBPTIQH-LLVKDONJSA-N 323.271 -0.117 50 20 DBGD Cc1cc(C(=O)NNC(=O)NC2CC2)c2c(=O)[nH]n(C)c2n1 143257134 NUPKDSLYAYFIBK-UHFFFAOYSA-N 304.310 -0.324 50 20 DBGD O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)Cc1cc[nH]n1 171672681 XVJAKMMLMQBUFU-UHFFFAOYSA-N 319.296 -0.331 50 20 DBGD CCOC(=O)NCC(=O)NNc1nccc(N2CCOCC2)n1 268583871 KITAOKZQGPIFMS-UHFFFAOYSA-N 324.341 -0.498 50 20 DBGD CC[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C(=O)OC 283363763 TUFXFTDMCWFQLG-SNVBAGLBSA-N 322.321 -0.842 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CS(C)(=O)=O 299010150 BOKKYQTXUTYDQP-MRVPVSSYSA-N 318.326 -0.215 50 20 DBGD COC(=O)NCC(=O)NNc1nc2ccccc2c(=O)n1C 491538950 BHOPRMCGFZCCFQ-UHFFFAOYSA-N 305.294 -0.267 50 20 DBGD C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584945823 UPWUHFGSEJGYFM-CYBMUJFWSA-N 320.129 -0.588 50 20 DBGD Cc1nc2n(n1)CCN(C(=O)c1cc(B(O)O)ccc1F)C2 584956717 GYYAXBQGPQHNBB-UHFFFAOYSA-N 304.090 -0.939 50 20 DBGD O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(B(O)O)ccc1F 584970193 MGHGZRZOMOMCBZ-ABAIWWIYSA-N 323.129 -0.427 50 20 DBGD C[C@@H](CNCc1ccc(B(O)O)cc1F)CN1CCN(C)CC1 585022799 ZZRPMXOJZLLPJO-ZDUSSCGKSA-N 323.221 -0.521 50 20 DBGD O=S(=O)(N1CCc2ccccc2C1)N1CC[C@@H](B(O)O)C1 585058051 RTNLVVYEPTYOBA-CYBMUJFWSA-N 310.184 -0.162 50 20 DBGD CN(C)N(C(=O)COC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 733215447 RTULQRZTXPPSSL-VXGBXAGGSA-N 320.411 -0.326 50 20 DBGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CO 753444740 PVZFOZXSWBFHIE-QMMMGPOBSA-N 315.351 -0.729 50 20 DBGD Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NNC(=O)CO 766259706 GJMYDRFVDHSWEO-UHFFFAOYSA-N 308.338 -0.552 50 20 DBGD O=C(CO)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 777781670 GRKWZWXCMYIFFH-UHFFFAOYSA-N 305.290 -0.798 50 20 DBGD Cc1ccccc1NC(=O)NNC(=O)C(=O)NCC(=O)N(C)C 783413909 MGRLXWGABYJHEV-UHFFFAOYSA-N 321.337 -0.648 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1 792146342 SFYPGTXVGYTGEY-QMMMGPOBSA-N 319.287 -0.016 50 20 DBGD CC[C@@H]1CN([C@H](CC)C(=O)NNC(=O)Cc2cc[nH]n2)CCO1 823152249 OQFWDILQJGDCET-CHWSQXEVSA-N 323.397 -0.011 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCN1C=O 831794511 OMXBFMPHHBCVKC-SECBINFHSA-N 314.342 -0.721 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@@H](C)CCO)n1 844445302 BBAXKOITQIBZLK-JTQLQIEISA-N 314.411 -0.156 50 20 DBGD CN(C)C1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 858272855 OLIDKIOAOWAGEQ-JTQLQIEISA-N 311.386 -0.530 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(NCC3CC3)nc2)N1 862458995 LLPGDLINFSCVSP-LLVKDONJSA-N 317.349 -0.057 50 20 DBGD CNc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862462109 UQUWHGARYMYDNT-MRVPVSSYSA-N 321.293 -0.324 50 20 DBGD Cc1ccc2nc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cn2c1 862464320 WVULRKYYQCVMTM-VIFPVBQESA-N 301.306 -0.318 50 20 DBGD COc1cc(C)cnc1C(=O)NNC(=O)CS(C)(=O)=O 863465052 QUZAKIHLIUFHJH-UHFFFAOYSA-N 301.324 -0.796 50 20 DBGD COC(=O)[C@@H]1CC(F)(F)CN1CC(=O)NNC(=O)C(C)C 880331510 DNVNCYOCZGPKJS-QMMMGPOBSA-N 307.297 -0.328 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)c1cccn1C 900002243 KKAAHAZCRRHJGR-UHFFFAOYSA-N 304.354 -0.142 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)Cc2cccnc2)CCC1 1116895184 ZFQLQUSPIYNHBN-UHFFFAOYSA-N 311.363 -0.261 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1sccc1C(=O)OC 1320090120 SSZFGCVDBJJKOE-UHFFFAOYSA-N 301.280 -0.140 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2cnc3n2CCCC3)nn1 1320722705 FJUSFSZFAIDIAD-UHFFFAOYSA-N 301.310 -0.135 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)C(=O)N1CCCC1 1323024531 KWCGSSPROCXHQP-SECBINFHSA-N 305.338 -0.716 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@]1(F)CCOC1 1323261189 JCYJJFZXWWMXOH-ZDUSSCGKSA-N 310.285 -0.913 50 20 DBGD CCC(=O)N[C@@H](CCSC)C(=O)NNc1cnnn1C 1331392472 IYLVVBLIAQZVLX-QMMMGPOBSA-N 300.388 -0.094 50 20 DBGD C[S@@](=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1351519976 AAMYTVIATHGNSF-MLMJSJRWSA-N 324.362 -0.145 50 20 DBGD COc1ccc(NNC(=O)[C@@H]2CNCCN2C)c([N+](=O)[O-])c1 1579230699 WUUWYYLJIQDMFW-LBPRGKRZSA-N 309.326 -0.050 50 20 DBGD Cn1ccnc(NNC(=O)c2csc(-c3nn[nH]n3)c2)c1=O 1592582514 RRXDBMOXNHEALN-UHFFFAOYSA-N 318.322 -0.221 50 20 DBGD O=C(O)[C@@H](Cc1ccc(F)cc1)NNC(=O)[C@H]1COCCO1 1601662183 WOSICBQSCQFPLS-VXGBXAGGSA-N 312.297 -0.142 50 20 DBGD C[C@](O)(C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 1603690140 HEFOOOZYGWDERT-CQSZACIVSA-N 316.321 -0.211 50 20 DBGD CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843363138 RDVGWIJGYHVIQI-QMMMGPOBSA-N 305.737 -0.188 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)N1CCOCC1 264575601 SWGIVLGIERDDGS-UHFFFAOYSA-N 305.356 -0.644 50 20 DBGD COC(=O)C[C@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 268198608 ODCHPFOQBNCLIH-QMMMGPOBSA-N 311.294 -0.644 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)CN2CSCC2=O)n1 273583035 ZKJKDFQJMIFWNG-UHFFFAOYSA-N 302.747 -0.312 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCN(CC(F)(F)F)C1 280948405 XFZXMAHIUWXJKX-QMMMGPOBSA-N 324.303 -0.457 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNc2ccc(C)nn2)nn1 284230179 OIFNJPZSXBWWNY-UHFFFAOYSA-N 320.313 -0.511 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CS(C)(=O)=O)c1 299054360 RDXIBUGKMUOKFX-UHFFFAOYSA-N 314.363 -0.126 50 20 DBGD CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584963358 SDHJJWFKBKUOBL-HQJQHLMTSA-N 301.148 -0.652 50 20 DBGD COCCN1CC[C@H](CNCc2ccc(B(O)O)cc2F)C1 585021109 PGKIXZNHENDLHA-GFCCVEGCSA-N 310.178 -0.437 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CN3CCC[C@H]3CO2)c(F)c1 585021933 FVBBNBCPOJJQOM-KBPBESRZSA-N 308.162 -0.542 50 20 DBGD C[C@]1(C(=O)N2CC[C@@H](B(O)O)C2)Oc2ccccc2NC1=O 585065829 GWLZSDYJCVGHOR-OTYXRUKQSA-N 304.111 -0.149 50 20 DBGD Cc1c(C(=O)NNC(=O)Cn2cnc3ccccc32)nnn1C 741659455 AQHAJLDKYDUQPB-UHFFFAOYSA-N 313.321 -0.066 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)COc1ccccc1C#N 745846667 AGJKBGOOPQTFIE-JOCHJYFZSA-N 324.362 -0.354 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 749563739 QJNDVWKYXNVOCS-LLVKDONJSA-N 324.381 -0.693 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)CCc1ccco1 754748550 GEIBVRIBDJPLLE-UHFFFAOYSA-N 320.367 -0.174 50 20 DBGD CCn1nc(C)c(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 755700649 YXNYLPVIDBAYRE-VIFPVBQESA-N 315.399 -0.092 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1 759655169 MECUZYRGDMQZHI-UHFFFAOYSA-N 302.312 -0.023 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)c1cc2c(s1)CCC2 807552672 FELAUWAZGFLZTG-UHFFFAOYSA-N 321.362 -0.179 50 20 DBGD NC(=O)C[C@H]1CCN(CC(=O)NNC(=O)c2cccs2)C1 808775049 KXGSHSUYZXBVDA-SECBINFHSA-N 310.379 -0.294 50 20 DBGD CCOC(=O)CON=C(C(=O)NN(C)C1CC1)c1cc[nH]n1 819651777 VELNBGVJEDASLR-UHFFFAOYSA-N 309.326 -0.181 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](CO)C1CCOCC1 827274688 QDWPJWOVLPDCQX-DLOVCJGASA-N 315.370 -0.471 50 20 DBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CC(=O)N2)cc1 854221096 GOUSODCQTHKBLP-BXKDBHETSA-N 321.333 -0.112 50 20 DBGD CCN1CCO[C@@H](C(=O)NN(C)C(=S)NCCCOC)C1 854282212 SAWTVMDSDYGFJX-LLVKDONJSA-N 318.443 -0.419 50 20 DBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1cc(Br)c[nH]1 854293271 OTIXRKLHVLQICY-ZCFIWIBFSA-N 315.127 -0.326 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=S)NCC1CCC1 855089904 LMXWBMXYHVUGCO-QMMMGPOBSA-N 322.456 -0.390 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=S)N[C@H](C)C1CC1 855103089 QLLWKUXMQLSYRA-MRVPVSSYSA-N 323.440 -0.659 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCCC1 858278001 UUNVKQKMNXFQNX-MNOVXSKESA-N 311.386 -0.530 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O 894135361 XHVJTSDOOLXEPQ-CYBMUJFWSA-N 318.377 -0.256 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1O 914831864 GOWREGSLRLTCAZ-MRVPVSSYSA-N 308.342 -0.024 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)CSCC(N)=O 1116298152 LAELBTBSLGHTDZ-UHFFFAOYSA-N 317.392 -0.248 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)N2C(=O)CCC2=O)cc1 1248684415 WPXMSXAXGRWAGF-SECBINFHSA-N 319.317 -0.006 50 20 DBGD NC(=O)COc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1 1261833470 ZKAZTRKFDOADGY-NSHDSACASA-N 304.306 -0.721 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNC(=O)c1c[nH]c2ccccc12 1317707804 ZYDCFZSFLIENFC-UHFFFAOYSA-N 315.289 -0.519 50 20 DBGD CNC(=O)C1(C(=O)NNc2nccc(N3CCOCC3)n2)CC1 1319263219 OIBAQZSJPMNIFF-UHFFFAOYSA-N 320.353 -0.718 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1319637847 NNNULTYYJOLRGP-UHFFFAOYSA-N 323.353 -0.846 50 20 DBGD COC(=O)c1cnc(C(=O)NNc2ccnc(N(C)C)n2)cn1 1320429042 FKPAMYQQZIMFND-UHFFFAOYSA-N 317.309 -0.124 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nc2nccc(C)n2n1 1324103559 RKHMHTVGTCWKLH-QMMMGPOBSA-N 320.309 -0.465 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1325966221 XCOUQAFSJARAPF-HLTSFMKQSA-N 307.372 -0.825 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN(C3CC3)C2)N1 1328699017 AYBXXPGCWUZPCL-ONGXEEELSA-N 309.370 -0.920 50 20 DBGD C[C@@](O)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccco1 1328803239 AUHSGGUHVUKIBV-AMIZOPFISA-N 310.310 -0.904 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n1 1344055946 QCMSTTPRBAPNRO-LLVKDONJSA-N 317.353 -0.499 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl 1589882495 OGNNUWVPWNBWPF-LURJTMIESA-N 311.733 -0.128 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccccc1C(=O)O 1594782893 LXEWFRGDFPFDLH-JTQLQIEISA-N 309.278 -0.047 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1601324062 MYJZXVAAHACJRA-OCAPTIKFSA-N 309.278 -0.732 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2ncn(C)n2)o1 1603412885 YWTYLEYPTUKXLG-UHFFFAOYSA-N 318.301 -0.137 50 20 DBGD C[C@@H](CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1)C(=O)O 1604149950 KNBMZLSUOHITRE-QMMMGPOBSA-N 309.102 -0.169 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNC(=O)[C@H]1CCCO1 1606596494 OBJFLDBRXKREQW-SNVBAGLBSA-N 317.309 -0.869 50 20 DBGD O=C(N[C@@H](C(=O)O)c1ccc(O)cc1)c1ccc(B(O)O)cc1 1608385838 IKRDPGUUFJQSIA-CYBMUJFWSA-N 315.090 -0.372 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 75653320 NJLHOMMBCFKRNW-JTQLQIEISA-N 308.338 -0.663 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCCCN2C(=O)CNC2=O)n1 264497198 PAHXHIJSWCTUNT-UHFFFAOYSA-N 321.341 -0.339 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2CC[C@H](O)C2)cc1OC 265078628 AEXWIXYKEVEAIB-NSHDSACASA-N 323.349 -0.469 50 20 DBGD C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)CS2 370260624 ITODRYOZMDKIHX-ZANVPECISA-N 323.378 -0.446 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 495691890 DTEWBPPQEGJFLF-VIFPVBQESA-N 307.372 -0.224 50 20 DBGD C[C@H](C(=O)Nc1cccc(B(O)O)c1)n1nnnc1C(C)(C)C 584914241 SZGZRPATKZDIRK-SECBINFHSA-N 317.158 -0.150 50 20 DBGD Cc1ncc2c(n1)CC[C@H](NC(=O)c1cccc(B(O)O)c1)C2 584927137 DBCOODOYDBEEKX-AWEZNQCLSA-N 311.150 -0.248 50 20 DBGD COCCCN1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584937663 FVVCVXKZZMXZJS-UHFFFAOYSA-N 320.198 -0.449 50 20 DBGD CN(CCNC(=O)c1cc(B(O)O)ccc1F)CC(F)(F)F 584945618 RIKIEVLLYXSPQA-UHFFFAOYSA-N 322.067 -0.271 50 20 DBGD CN(C)[C@]1(CNC(=O)c2ccc(B(O)O)cc2)CCSC1 584956777 HXKOXGCSUQIFSB-AWEZNQCLSA-N 308.212 -0.467 50 20 DBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584958730 RWUPYJUJXYGFKQ-LKFCYVNXSA-N 306.146 -0.282 50 20 DBGD O=C(NCC1CCN(C2CC2)CC1)c1ccc(B(O)O)cc1 584981032 ADLIVYLTWIJAPS-UHFFFAOYSA-N 302.183 -0.029 50 20 DBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@]2(CCOC2)O1 584983934 PRPJBSAVARPZGU-BMIGLBTASA-N 323.129 -0.475 50 20 DBGD Cn1ccc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)n1 727359679 RUZRVNJPSWGAMS-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)c2cccc(OC)c2O)CC1 730030413 DSKRLLRRQOCRGL-UHFFFAOYSA-N 307.306 -0.312 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)NC1(CO)CCOCC1 732205065 YWCIGAUBQWBEPY-NSHDSACASA-N 301.387 -0.301 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H](C)N1CCOCC1 735581934 STZQZIWHGUDVMO-QWRGUYRKSA-N 324.385 -0.527 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)N1CCOCC1)CC2 750723110 CNMBDSVNPUVGRV-SNVBAGLBSA-N 308.342 -0.778 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)c1ccc(C)o1 752781473 ZQBKVLLHOOBKTE-UHFFFAOYSA-N 324.337 -0.618 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(F)ccc1O 755700031 UZRSFOKYLRMUGU-ZETCQYMHSA-N 303.315 -0.081 50 20 DBGD CNC(=O)NCC(=O)NNc1nc2ccccc2c(=O)n1C 761159673 LGLFVRRJUCXKPN-UHFFFAOYSA-N 304.310 -0.694 50 20 DBGD Cn1cc(-n2cc(C(=O)NNC(=O)C(C)(C)O)ccc2=O)cn1 768260866 YCHSMEQQFRGFIO-UHFFFAOYSA-N 319.321 -0.897 50 20 DBGD CNC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(C)c1 777560699 ZOTUDWKRMWSDLU-ZDUSSCGKSA-N 318.377 -0.034 50 20 DBGD CC(Cn1cc(C(F)(F)F)ccc1=O)=NNC(=O)C(N)=O 794458692 AHNMNXHNTWXUQG-UHFFFAOYSA-N 304.228 -0.156 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCC(=O)N1C 806365159 IPUUGRUFXQIBBI-LLVKDONJSA-N 320.349 -0.125 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1OC 810387527 ZJTOEMYWDAWWAJ-UHFFFAOYSA-N 317.248 -0.294 50 20 DBGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NN(C)C(N)=O)c1 810828697 FJMQCXBYQAJOGE-UHFFFAOYSA-N 314.367 -0.377 50 20 DBGD CC(C)C[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C(=O)O 818622972 GAECIYHTABVDQT-MRVPVSSYSA-N 314.342 -0.658 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 821218299 XORBKKYQQWHOOH-SNVBAGLBSA-N 305.338 -0.472 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)CN1CCOCC1 824016705 PUYMWHNTZJZZOX-VXGBXAGGSA-N 313.398 -0.083 50 20 DBGD COc1ccc(C(=O)NNC(=O)C[C@@H]2CC(=O)N2)c(OC)c1 826646387 BUKJCINVVKRKOR-QMMMGPOBSA-N 307.306 -0.257 50 20 DBGD CN(C)CC(=O)NNC(=O)C1CN(C(=O)C2CCCCC2)C1 839640426 QGPOZNJMGDSEII-UHFFFAOYSA-N 310.398 -0.266 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847299284 YVBZOMHKUOCDSX-VHSXEESVSA-N 315.333 -0.085 50 20 DBGD CNC(=S)N(C)NC(=O)c1c(Br)nnn1C 854921217 MUYXRVNPYWDEAA-UHFFFAOYSA-N 307.177 -0.342 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)NC)oc1C 854924375 IKMSCJRTKAWTDI-UHFFFAOYSA-N 320.396 -0.423 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2cccc(F)n2)n1 856427683 CBMNIPQCOLYFFS-UHFFFAOYSA-N 321.316 -0.034 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 860668571 SRTUMLAPZMUANQ-SECBINFHSA-N 308.342 -0.535 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863464740 SRGUDLFTQCVLLN-CYBMUJFWSA-N 314.363 -0.524 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCc2ccccc2C1 863466977 JKBLGCQUZGLEAT-GFCCVEGCSA-N 310.375 -0.017 50 20 DBGD C#CC[C@@H](CCOC)NC(=O)NNC(=O)C(=O)N1CCCC1 875920208 XRVRWQNWEWFZLT-NSHDSACASA-N 310.354 -0.632 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)CC1=O 914603933 BVNLOIYKGHGGTR-JTQLQIEISA-N 312.370 -0.837 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1COCCO1 915061943 AVDDZUKQFWHSFN-SNVBAGLBSA-N 304.306 -0.181 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc2[nH]ncc12 918209162 LLUCWIUCOJCFIQ-QMMMGPOBSA-N 322.346 -0.241 50 20 DBGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)CN1C(=O)CNC1=O 1117470031 IZMRNCDFMWGXBT-UHFFFAOYSA-N 307.266 -0.102 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)s1 1118895180 JWYYCIOONVDEQU-UHFFFAOYSA-N 304.349 -0.244 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC1(C)OCCO1 1261453828 QFBKUTANCYMTLD-ZJUUUORDSA-N 301.343 -0.105 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)CN2C(=O)CNC2=O)c1 1317978514 BCLMBORUSPYLDV-UHFFFAOYSA-N 320.305 -0.927 50 20 DBGD Cc1ccncc1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1328085798 HOMDUULFAZBFAN-SNVBAGLBSA-N 311.363 -0.485 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 1328562520 OJPBGRQTXQANEK-SECBINFHSA-N 305.338 -0.747 50 20 DBGD Cn1nc(C(=O)N2CC[C@@H](B(O)O)C2)c2ccccc2c1=O 1329215855 QSONWQXBAJXFFI-SECBINFHSA-N 301.111 -0.378 50 20 DBGD CNC(=O)NNC(=O)c1ccc(C(=O)N2CCOCC2)cc1 1331553000 BETQKQMPSARGGM-UHFFFAOYSA-N 306.322 -0.267 50 20 DBGD CN(N)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1573877221 JGOJAYHTYJAUHG-GARJFASQSA-N 317.411 -0.572 50 20 DBGD N#CSCCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CNC[C@@H]12 1580056663 XZUIWPWCGLXRJC-OUAUKWLOSA-N 317.436 -0.270 50 20 DBGD C#CCO[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1588357541 NIQSDBMYWMUXBP-VIFPVBQESA-N 314.305 -0.334 50 20 DBGD O=C(NN=Cc1cc(C(=O)O)no1)N[C@@H]1CCS(=O)(=O)C1 1601552654 CMFQOALWJCVFRT-ZCFIWIBFSA-N 316.295 -0.807 50 20 DBGD CN1CC(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)C1 1846713960 AWSPRGFRFVXDLC-LLVKDONJSA-N 315.801 -0.649 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)nc1 9930867 QTNHDSVEJNHKON-QMMMGPOBSA-N 317.754 -0.069 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CC[C@H](CO)C2)n1 174701113 DRXLDYWLMMVOPX-JTQLQIEISA-N 312.395 -0.544 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O 266544588 QJAUXCIEJRDBRD-SNVBAGLBSA-N 311.250 -0.523 50 20 DBGD O=C(NNC(=O)[C@H]1CSCCS1)C(=O)N1CCCC1 267461644 KACOKTBJMOSESK-MRVPVSSYSA-N 303.409 -0.395 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 270986657 WGQLNTJHHOTCCT-UHFFFAOYSA-N 307.266 -0.443 50 20 DBGD COC(=O)c1c(CC(=O)NN(C)C(N)=O)[nH]c(C(C)=O)c1C 271416022 XVWJQLYHZXXXLP-UHFFFAOYSA-N 310.310 -0.103 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1O 278675471 RGALDJZMRRLKSH-VIFPVBQESA-N 312.347 -0.104 50 20 DBGD COc1ncccc1CCNC(=O)NNC(=O)[C@H]1COCCO1 290700149 JVIVFEWTALOHKS-LLVKDONJSA-N 324.337 -0.622 50 20 DBGD CC(=O)NC[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584940164 QLQZXVXSZXMLIM-LLVKDONJSA-N 322.145 -0.506 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)N1CCOCC1 584940898 ANMSBQCCHWFZQN-WDEREUQCSA-N 324.161 -0.656 50 20 DBGD CC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H](C)[S@]1=O 584988118 DWTKREZHFMYJSA-BHIGOGECSA-N 309.196 -0.262 50 20 DBGD CN1C[C@@H]2[C@@H](CCCN2C(=O)c2ccc(B(O)O)c(F)c2)C1=O 584993829 JKQJBUUMVOTTRP-ZWNOBZJWSA-N 320.129 -0.802 50 20 DBGD COCCN1CCC(CNCc2ccc(B(O)O)cc2F)CC1 585019733 GYGFJYLIDGHTOJ-UHFFFAOYSA-N 324.205 -0.047 50 20 DBGD C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(B(O)O)cc2F)CC1=O 585024972 INYBRPMRRPOKSL-LJWDBELGSA-N 306.146 -0.396 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc[nH]2)c1 725884306 PYCZPHNGQBRXQA-UHFFFAOYSA-N 308.319 -0.112 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)o1 730765576 CRRXRQRYVLNUET-UHFFFAOYSA-N 305.312 -0.031 50 20 DBGD Cn1c(NNC(=O)[C@H]2CCC(=O)NC2)nc2ccccc2c1=O 733263489 FTZIYXVAJNEZQA-VIFPVBQESA-N 315.333 -0.097 50 20 DBGD O=C(NNc1cnccn1)C1=CN2CCS(=O)(=O)N=C2C=C1 734242706 WFOMNMYLIBOMMI-UHFFFAOYSA-N 320.334 -0.583 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(OCC(N)=O)c2)cn1 735445201 NJCWNTMORFKFQL-UHFFFAOYSA-N 317.305 -0.641 50 20 DBGD C[C@@H](Sc1ccccn1)C(=O)NNC(=O)C(=O)NC1CC1 754220412 YJRXCOFYZXXROM-MRVPVSSYSA-N 308.363 -0.012 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(C(=O)NC2CC2)CCC1 755286003 YVXGAGBRPASZHR-UHFFFAOYSA-N 305.338 -0.452 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNc1ncncc1Cl 780960917 NBVAPTORZIGEQO-UHFFFAOYSA-N 308.751 -0.695 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2O)CC1 788166529 PKLDEOIWASJVJA-UHFFFAOYSA-N 323.309 -0.098 50 20 DBGD CN(CC(=O)NNC(=O)C(C)(C)C)C1(CO)CCOCC1 792409757 PESYESIMOXPAGI-UHFFFAOYSA-N 301.387 -0.347 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCNC(=O)C2)cc1 801107404 VKSDAFQKKBNXRU-JTQLQIEISA-N 318.333 -0.393 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccccc1-n1cnnn1 802031379 HFSBKVFCUVQZHY-UHFFFAOYSA-N 324.304 -0.054 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCn3cncc3C2)CC1 807381740 GWIDEMSIPMOLLE-NSHDSACASA-N 306.370 -0.566 50 20 DBGD Cn1cnc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1 826364621 CVKALZBZKHMASN-UHFFFAOYSA-N 314.313 -0.179 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 827831809 JWMGGMBSYWXKRQ-LBPRGKRZSA-N 321.308 -0.101 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 843649932 YWSFFGKNTDFFPV-SCZZXKLOSA-N 311.298 -0.246 50 20 DBGD COC(=O)C12CC(C(=O)NNC(=O)C(=O)N3CCCC3)(C1)C2 843780464 LVBVHLDRIBKBSG-UHFFFAOYSA-N 309.322 -0.901 50 20 DBGD NC(=O)CSCC(=O)NNc1ncc(Br)cn1 848321393 RFQHEORUTRIZTE-UHFFFAOYSA-N 320.172 -0.099 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)C[C@H]1COCCO1 852496949 UJXJSZUTDFXLAC-ZDUSSCGKSA-N 307.350 -0.205 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(NS(C)(=O)=O)nc1 861656143 AWCAONNMGQMTRR-UHFFFAOYSA-N 302.312 -0.204 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 863402804 YXHYWCZKXQZSLA-UHFFFAOYSA-N 306.304 -0.769 50 20 DBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)CS(C)(=O)=O 863465132 UNIHVLNNITVMOI-MRVPVSSYSA-N 321.399 -0.881 50 20 DBGD COC(=O)N1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 863871432 MUZWHRGZLYMAJH-UHFFFAOYSA-N 306.127 -0.673 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1 921028051 RLFISLZIMHZXFI-QWRGUYRKSA-N 303.359 -0.063 50 20 DBGD O=C1C[C@H](Cc2ccc(C(=O)NNc3nc[nH]n3)cc2)C(=O)N1 1261245893 STKZMMMGRFOLGQ-JTQLQIEISA-N 314.305 -0.233 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 1261461041 XAWUYDAXYACGNA-ZJUUUORDSA-N 306.322 -0.099 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(CO)CCOCC1 1261740224 UKSCEWSZKNYACK-UHFFFAOYSA-N 318.370 -0.288 50 20 DBGD O=C(CCN1CCOCC1)NNC(=S)NCC(F)(F)F 1318121270 SROFSNLAOWUXKX-UHFFFAOYSA-N 314.333 -0.234 50 20 DBGD COc1cccc(NNC(=O)Cn2ncn3nccc3c2=O)n1 1323596741 WKATZYHZJLFGNR-UHFFFAOYSA-N 315.293 -0.562 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)[C@@H]1CCCCO1 1327322668 FRIRCGFJCBJQIP-JTQLQIEISA-N 321.399 -0.448 50 20 DBGD CNCCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1329574087 XIQCWHBHPHOEGO-LDYMZIIASA-N 306.204 -0.046 50 20 DBGD COC(=O)N(C)NS(=O)(=O)CCCN1CCN(C)CC1 1329767293 GLBLWBUUXSMAOP-UHFFFAOYSA-N 308.404 -0.844 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1ncn(C)n1 1338530369 AYKCBLPGLXTRJY-IUCAKERBSA-N 314.346 -0.742 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)Cn1cnc(C#N)n1 1340661334 CAVDFGXBQJTPFQ-UHFFFAOYSA-N 320.334 -0.303 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 1343384183 TXZOWVCXMWOPGD-UHFFFAOYSA-N 318.289 -0.563 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)Cc1cccnc1 1349061342 KDMVMNFPAFJJFT-ONGXEEELSA-N 321.337 -0.589 50 20 DBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1357143814 BTIZAVYFKVJHFA-IVZWLZJFSA-N 300.359 -0.344 50 20 DBGD CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN1 1575125948 QNMPZKXCBQBVND-GHMZBOCLSA-N 310.398 -0.077 50 20 DBGD O=C(C[C@@H]1CC(=O)NC1=O)NNc1ccc(-c2nn[nH]n2)cc1 1581964682 FSFHFNCMNOIDPR-QMMMGPOBSA-N 315.293 -0.637 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ncccc1C(=O)O 1589147998 YACCXOGUBWBEIB-GMSGAONNSA-N 322.321 -0.502 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)COc2ccccc2O1 1594019892 MRWXVCDDFFWMQR-ZDUSSCGKSA-N 309.278 -0.369 50 20 DBGD C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800996676 LCURCLSNJNIEFO-NOHGZBONSA-N 316.785 -0.248 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1 1843500044 VSWDPAWUBRDBTD-SNVBAGLBSA-N 312.757 -0.174 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)NC1CC1 68394626 CDQXMAWMYGFGHR-LURJTMIESA-N 308.260 -0.110 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 194935387 VWTZNCLRNJUZLX-VIFPVBQESA-N 315.123 -0.108 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)c1ccccc1O 263761441 LFRJGFBLXVWJPP-UHFFFAOYSA-N 310.354 -0.086 50 20 DBGD O=C(C[C@@H]1CSCCS1)NNC(=O)C(=O)NC1CC1 269714786 RQSKCNDZCBUUJK-MRVPVSSYSA-N 303.409 -0.349 50 20 DBGD COc1ccnc(NNC(=O)[C@H](c2cncn2C)N(C)C)n1 280718568 HENMVLBVAHMULR-NSHDSACASA-N 305.342 -0.035 50 20 DBGD C[C@H]1CO[C@H](CO)CN1CC(=O)NNC(=O)c1ccccc1 318857739 BJVQMJRYWZIOIL-AAEUAGOBSA-N 307.350 -0.471 50 20 DBGD CSCC[C@H](CO)NC(=O)c1ccc(B(O)O)c(F)c1 584962904 MDAQSROPNFANFV-SECBINFHSA-N 301.148 -0.651 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)o2)CCN1CC(F)(F)F 585023409 HRQSHLHMXZXMNM-MRVPVSSYSA-N 306.049 -0.788 50 20 DBGD O=C1C[C@H](CNCc2ccc(B(O)O)cc2F)CN1C1CC1 585045798 MFOXXCHBEGDAGB-SNVBAGLBSA-N 306.146 -0.394 50 20 DBGD NC(=O)CNC(=S)NNC(=O)NCCc1cccs1 727085639 UDHRZOOJIOWRTD-UHFFFAOYSA-N 301.397 -0.546 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](N2CCNC2=O)C1 732198613 ZAYALCYCCTUNFJ-MNOVXSKESA-N 311.386 -0.578 50 20 DBGD O=C(NCCN1CCCS1(=O)=O)NNC(=O)C1CCC1 732244856 OETQFTSHDMNKGA-UHFFFAOYSA-N 304.372 -0.848 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 740811565 NIVUICPMULWNLP-JTQLQIEISA-N 309.388 -0.274 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1F 743256294 PEWBLKRTIYWKAJ-UHFFFAOYSA-N 305.287 -0.012 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1 748004926 XBVDUHWBIKMHOR-UHFFFAOYSA-N 309.282 -0.710 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)[C@@H]1COc2ccccc2O1 750015636 IBDWTKYHDURMCR-NSHDSACASA-N 317.305 -0.275 50 20 DBGD Cc1c(C(=O)NNC(=O)CO)nnn1-c1cccc([N+](=O)[O-])c1 753437470 KCXKFXAPIBALDN-UHFFFAOYSA-N 320.265 -0.763 50 20 DBGD CN1CCN(CC(=O)NNc2ccccc2[N+](=O)[O-])CC1=O 763283603 NOIUMMZGQMAOQE-UHFFFAOYSA-N 307.310 -0.188 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cn1 763821691 WGNJQZZVIPJWJR-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 764299267 BWOOEXTVTJHTKY-UHFFFAOYSA-N 310.266 -0.364 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN1CCOCC1 772243348 WSGOCZODBBSQFW-LLVKDONJSA-N 315.370 -0.556 50 20 DBGD COCCn1ccc(C(=O)NNC(=O)Cc2ccncc2)n1 784130109 LNMKBQKZJAZQLP-UHFFFAOYSA-N 303.322 -0.072 50 20 DBGD COC[C@@H](CO)NC(=O)NNC(=O)Cn1ccc2ccccc21 792918552 VXYUENXJXGHIKS-GFCCVEGCSA-N 320.349 -0.021 50 20 DBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1cccc(Cl)c1 796600953 DVZWLCXLSLGYMV-UHFFFAOYSA-N 312.757 -0.092 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)NCC(=O)NCC#N 807553175 FVTDDLMQKAKGQB-UHFFFAOYSA-N 303.322 -0.492 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1ccccn1)CC2 809937687 YSIKBGVBRZZREL-SECBINFHSA-N 300.322 -0.224 50 20 DBGD CCC[C@@H]1C[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 812534516 MLYWNSXEWKAITF-OPRDCNLKSA-N 303.384 -0.060 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1C(=O)NC(=O)NC1=O 814215567 SFXYUAWGJYLSPK-LURJTMIESA-N 322.252 -0.569 50 20 DBGD C[C@H]1NC(C(=O)NN(C)[C@H](C)CO)=NN(c2ccccc2)C1=O 823977305 UDDTZWZPVRZNBW-GHMZBOCLSA-N 319.365 -0.331 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NN(C)[C@H](C)CO)C2=O 823987687 KWMBAZIDQIMSBS-SNVBAGLBSA-N 305.334 -0.065 50 20 DBGD COc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c1 827015431 IPCXWNVTHWRVBP-GFCCVEGCSA-N 305.334 -0.028 50 20 DBGD COc1ccccc1C(=O)NNC(=O)Cn1cc(C(=O)O)nn1 832588388 DDFNFJAPNJSQPD-UHFFFAOYSA-N 319.277 -0.554 50 20 DBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C1 838748408 INZWRTMPXZOYFM-AOOOYVTPSA-N 324.337 -0.093 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 842473396 BLMMSUOQHCWQPF-JTQLQIEISA-N 321.337 -0.351 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCOc2ccccc2)CC1=O 846710413 KSBVVICSUAVEQP-UHFFFAOYSA-N 320.349 -0.030 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN(C)C(=O)C1CC1 854281709 JGOWJVMASAECKV-UHFFFAOYSA-N 316.427 -0.271 50 20 DBGD NS(=O)(=O)N1CCC[C@@H](C(=O)NNc2cccc(F)n2)C1 854443283 TTZZCANJTOXZQX-MRVPVSSYSA-N 317.346 -0.421 50 20 DBGD C[C@H](N)CCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 857114758 WATMEHCLRKCQPV-VIFPVBQESA-N 318.341 -0.656 50 20 DBGD CC(=O)N[C@@H](CC(=O)NC[C@]1(C)C[C@@H]1Br)C(N)=O 857733329 JDHOOQLRGUDZPO-LAEOZQHASA-N 320.187 -0.344 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H](CO)c2cccc(F)c2)N1 858695582 FWHHQNHBJHMNLS-GHMZBOCLSA-N 324.312 -0.532 50 20 DBGD CCN(CC)[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858697094 OVLAGFXAARTABN-GHMZBOCLSA-N 311.386 -0.578 50 20 DBGD CNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 860336808 GOPBZRSGQQVZTO-JTQLQIEISA-N 319.321 -0.523 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccccc2F)N1 863413406 HUSPWSINSMNJKM-QMMMGPOBSA-N 301.299 -0.586 50 20 DBGD COc1cccc(CCC(=O)NNC(=O)CS(C)(=O)=O)c1 863459543 VQHXDOWTLWTCIX-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NCCCN1CCOCC1 918054820 WDLMPXYZBFPWBR-UHFFFAOYSA-N 312.292 -0.009 50 20 DBGD O=C(/C=C/c1ccco1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886285 SIXAUZIHHRWDGB-NWALNABHSA-N 313.335 -0.190 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 919954446 LZCVMSAROSSCNW-UHFFFAOYSA-N 316.291 -0.515 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CC1=O 920435506 IPTCKTRQUKBHSN-JTQLQIEISA-N 324.381 -0.597 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C#N)s1 1116888975 YGVMSLFBIZVAMG-UHFFFAOYSA-N 316.364 -0.546 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCC(=O)NC(C)(C)C)cn1 1251919997 UADBXTXUZGZMRM-UHFFFAOYSA-N 310.358 -0.331 50 20 DBGD COCc1nc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)s1 1261835046 GQYBOPOVBQTIOY-UHFFFAOYSA-N 321.380 -0.596 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1 1317730087 YVTFFTYVJSVXKW-UHFFFAOYSA-N 310.335 -0.608 50 20 DBGD O=C(NCc1ccc(Cl)nc1)NNC(=O)C(=O)NC1CC1 1319301983 ICQHXJDFXAXKPD-UHFFFAOYSA-N 311.729 -0.156 50 20 DBGD CN1CCN(c2ccccc2NC(=O)NNC(=O)CCO)CC1 1321212603 ASDRTGWPRVPXKX-UHFFFAOYSA-N 321.381 -0.027 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC[C@@]2(O)CCCOC2)cn1 1326606385 JCITYDRSWWWTEB-ZDUSSCGKSA-N 311.342 -0.704 50 20 DBGD C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329977644 DYMUDTHYZIGGML-RKDXNWHRSA-N 300.359 -0.608 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2c[nH]c3ncccc23)N1 1331736744 QHNFOULQZVVNFL-MRVPVSSYSA-N 323.334 -0.849 50 20 DBGD CCc1nc(CC(=O)NNC(=O)CS(C)(=O)=O)cs1 1348435068 DAHLMTBIMBAKCO-UHFFFAOYSA-N 305.381 -0.560 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1ccccn1 1351152398 JCOGBQQQFXJWSO-WCQYABFASA-N 303.366 -0.840 50 20 DBGD CS(=O)(=O)CCC=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549903662 BVHKMHCVJBIJHC-GHMZBOCLSA-N 303.384 -0.614 50 20 DBGD CC(=NNC(=O)c1ccc(O)c(O)c1)c1cn(CC(=O)O)nn1 1588485875 NSVTUZVVHQGYDJ-UHFFFAOYSA-N 319.277 -0.072 50 20 DBGD COCC(=O)NCCC(=O)NNc1ccc(CC(=O)O)cc1 1599142805 INSZBOGWUPQJPP-UHFFFAOYSA-N 309.322 -0.091 50 20 DBGD O=C(O)CC(=O)NNC(=O)[C@H]1C(=O)Nc2ccccc2C1=O 1601887855 AWEAKIQVLCYACI-SNVBAGLBSA-N 305.246 -0.940 50 20 DBGD O=C(O)COc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 1602085719 VCWFTHZQHVLEKH-UHFFFAOYSA-N 321.289 -0.354 50 20 DBGD Cn1nc(C(=O)O)cc1C=NNC(=O)CNC(=O)c1ccco1 1776040690 KQYWOXKDLMHQBQ-UHFFFAOYSA-N 319.277 -0.409 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2cnccn2)C1 1842382308 QESNIDSHFCLDCW-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)NCc2ccco2)C1=O 138975561 DDIDZEZHPOYSNX-UHFFFAOYSA-N 309.282 -0.996 50 20 DBGD C[C@@H](N)[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 156529910 YFXOTIICGHDRML-ZJUUUORDSA-N 312.395 -0.443 50 20 DBGD COCCN(C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 288515116 VKFYIZRVXCEENC-LLVKDONJSA-N 319.365 -0.066 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 362640689 NPLJJPOHKIWTGB-UHFFFAOYSA-N 315.289 -0.174 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 367888319 AOVHSGGCICXDSI-LBPRGKRZSA-N 305.334 -0.322 50 20 DBGD CCN(CC)C(=O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584946170 OPUSLNCOFYMQQA-UHFFFAOYSA-N 324.161 -0.116 50 20 DBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)CCN1CCO 584975325 BEHCSTVDNNJFEF-UHFFFAOYSA-N 324.161 -0.966 50 20 DBGD CC(=O)N1C[C@H]2[C@@H](NCc3ccc(B(O)O)o3)CCC[C@H]2C1 585040114 ABECILOAWGLXGI-YUTCNCBUSA-N 306.171 -0.304 50 20 DBGD COCCOC1(CNCc2cccc(B(O)O)c2)CCOCC1 585043860 USPAPBCGFSEQPL-UHFFFAOYSA-N 323.198 -0.332 50 20 DBGD COc1ccc(C(=O)N[C@@H](C(=O)NCB(O)O)C(C)C)cc1 585055014 WURWFWQSIDPFQW-GFCCVEGCSA-N 308.143 -0.422 50 20 DBGD NC(=O)CNC(=S)NNC(=O)Cc1c[nH]c2ccccc12 727067712 QAHQPGMISSEGET-UHFFFAOYSA-N 305.363 -0.309 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 729275946 SYMTVQLYQRMHSG-QMMMGPOBSA-N 300.340 -0.911 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cn1ccc2ccccc21 729454221 LAQTUKJOYWXTRA-UHFFFAOYSA-N 309.347 -0.167 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1 735445537 ZMDQMWWMLOIWHA-JTQLQIEISA-N 307.354 -0.170 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C[C@@H]2CCCO2)CC1 738299214 MRGUFMUTNLRHAO-OLZOCXBDSA-N 312.414 -0.271 50 20 DBGD Cn1c(CC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)nc2ccccc21 739012851 RYGMDZYETYLFFH-RKDXNWHRSA-N 316.317 -0.016 50 20 DBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1 746092398 MLNHRCMMXCHZNM-CYBMUJFWSA-N 321.333 -0.103 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)[C@@]2(CO)CCOC2)cc1 763892964 OZEZIFALBFGBJH-MRXNPFEDSA-N 321.377 -0.161 50 20 DBGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CO 777781641 DBWZRGMGMCTCDI-CYBMUJFWSA-N 318.333 -0.645 50 20 DBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 786851194 OGCPHPLDEXPRNX-UWVGGRQHSA-N 310.354 -0.952 50 20 DBGD O=C(Cn1c(-c2ccncc2)noc1=O)NNC(=O)C1CC1 788487926 AMALBMJYAGHZRO-UHFFFAOYSA-N 303.278 -0.544 50 20 DBGD O=C(CNC(=O)c1ccncc1)NNc1nc2ccccn2n1 791248036 HEOGOAFTVOKMPT-UHFFFAOYSA-N 311.305 -0.003 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)c1nnc(O)nc1O 792798921 SQOWZAFJBNMWOR-UHFFFAOYSA-N 319.277 -0.705 50 20 DBGD COC(=O)NNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 794380312 SCCIZKXYYJXBFO-UHFFFAOYSA-N 323.309 -0.364 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnnn2C)c1 798798509 NUQSAZLBXUUXGL-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD CC1CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)C1 814785036 LVQRHYVLCKHPFP-UHFFFAOYSA-N 311.367 -0.527 50 20 DBGD Cn1c(NNC(=O)CN2CCOCC2=O)nc2ccccc21 816578339 WUHWZBNGRFWPLG-UHFFFAOYSA-N 303.322 -0.125 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 823935171 OLGFQNUYOGBRRA-GHMZBOCLSA-N 317.386 -0.034 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 826358943 OOIKFAVQUMRCHN-UHFFFAOYSA-N 301.270 -0.997 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCN1C=O 831794512 OMXBFMPHHBCVKC-VIFPVBQESA-N 314.342 -0.721 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@]1(C)CC=CCC1 857116832 QKPCTEFSCUXRCN-BXKDBHETSA-N 303.384 -0.182 50 20 DBGD CCc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 861945989 HRHFUJHWLQEGAP-LLVKDONJSA-N 318.333 -0.387 50 20 DBGD COc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1F 863462616 SKVSWYDRLGXHJI-UHFFFAOYSA-N 304.299 -0.360 50 20 DBGD CCn1cnc2c1CCN(C(=O)c1cc(B(O)O)ccc1F)C2 886606045 IKNJWNJDXBENSO-UHFFFAOYSA-N 317.129 -0.080 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(CO)c(F)c1 913732996 RLXVYDATTBJHID-UHFFFAOYSA-N 309.297 -0.299 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)CN1CCCC1=O 920432632 DTONIBKSZRSTGR-SNVBAGLBSA-N 324.381 -0.549 50 20 DBGD CCN1CCC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1=O 925989462 TZMSKPWDWBJJCX-NSHDSACASA-N 312.370 -0.246 50 20 DBGD O=C(CCO)NNC(=O)Nc1ccccc1Cn1cncn1 1116610865 JUCYPWKRZGXOCS-UHFFFAOYSA-N 304.310 -0.139 50 20 DBGD Cn1nc(-c2ccco2)cc1NC(=O)C(=O)NNC(=O)CCO 1116805762 UWUZHSVVAVHCFJ-UHFFFAOYSA-N 321.293 -0.852 50 20 DBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)Cc1cccnc1 1121899253 CCEUKAIVHPSWDE-JTQLQIEISA-N 307.354 -0.131 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)nc1 1321082186 SJBYYOSJPCYFIG-UHFFFAOYSA-N 303.278 -0.082 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccc(F)cc2)cn1 1321152367 QZTNGIKODHMAOQ-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD Cc1noc(Cl)c1CC(=O)NNC(=O)C(=O)NC1CC1 1321369151 SWGVDUKCHPKHKP-UHFFFAOYSA-N 300.702 -0.395 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)n1 1324975460 JLDDEPXOICYYEH-UHFFFAOYSA-N 321.337 -0.807 50 20 DBGD Cc1cnc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1 1326833368 VZWIYTPWMFFWOX-JGVFFNPUSA-N 312.351 -0.038 50 20 DBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)C1CCOCC1 1334331825 WVGRUFGYCRUIKN-ZDUSSCGKSA-N 313.379 -0.374 50 20 DBGD Cc1c(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cnn1C 1335932166 IRMYZSSFWYUGGL-LBPRGKRZSA-N 315.399 -0.390 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1346442638 BGRWUWQAWUASGU-YUMQZZPRSA-N 305.338 -0.439 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 1350947814 IQJGXWCWKSLARC-VIFPVBQESA-N 305.294 -0.861 50 20 DBGD O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)C(=O)N1CCCC1 1594779170 KLOIVBAAGCDKCF-SNVBAGLBSA-N 311.338 -0.353 50 20 DBGD O=C(O)COCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 1595107235 NVMCDSIOQVWSQI-UHFFFAOYSA-N 318.289 -0.266 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC2CC(CC(=O)O)C2)ccc1=O 1600932339 NBDUEBVEEOLFRS-UHFFFAOYSA-N 322.321 -0.417 50 20 DBGD O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cc(B(O)O)ccc1F 1608491128 BYHPCSOVHZHFSM-SREGZZRCSA-N 307.086 -0.656 50 20 DBGD CCOC(=O)C1(C(=O)NNC(=O)C(=O)NC(CC)CC)CC1 266893259 MWWUQSWVNYEHHZ-UHFFFAOYSA-N 313.354 -0.218 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 269612337 FLWCVSQNXIIAGW-OAHLLOKOSA-N 305.334 -0.133 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1ncccc1C 276663155 CDSVYHCYQYUMOG-UHFFFAOYSA-N 316.383 -0.211 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)cc1 282651804 HKKNQEHOMVVUBM-SNVBAGLBSA-N 318.333 -0.441 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1 288406210 QMRUSXUJOXYGFI-AWEZNQCLSA-N 316.321 -0.416 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)CCS(C)(=O)=O)c1 298302543 KPIXNZNTMPUCDZ-UHFFFAOYSA-N 313.379 -0.052 50 20 DBGD O=C1COc2cc(C(=O)NNC(=O)N3CCOCC3)ccc2N1 299409302 ZBCXVFSRUPPEFZ-UHFFFAOYSA-N 320.305 -0.296 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cn[nH]c1 494625302 QLKOZZAHJKDKBP-UHFFFAOYSA-N 319.343 -0.756 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)COCc1ccccc1 497306796 WGKJUGFIQGRPOK-SKDRFNHKSA-N 307.306 -0.153 50 20 DBGD CCN(CC(=O)NC(C)C)C(=O)COc1ccc(B(O)O)cc1 584909393 KTZYOJQFOJOZFA-UHFFFAOYSA-N 322.170 -0.882 50 20 DBGD CC(C)CN1CCO[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584926408 NEZIYBUXYDEQGO-OAHLLOKOSA-N 320.198 -0.547 50 20 DBGD O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(B(O)O)c(F)c1 584930253 UTJZBJJSRMFBFT-ZIAGYGMSSA-N 306.146 -0.138 50 20 DBGD CCCNC(=O)CN(CCC)C(=O)c1ccc(B(O)O)cc1 584933125 WJISWMGZFQSIPL-UHFFFAOYSA-N 306.171 -0.255 50 20 DBGD O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584974262 FXEZMRYUMMYZJP-ZDUSSCGKSA-N 317.154 -0.958 50 20 DBGD O=C(N[C@@H](CCO)C1CCOCC1)c1ccc(B(O)O)cc1 584976151 RGKHIERTJYELFU-AWEZNQCLSA-N 307.155 -0.726 50 20 DBGD OC[C@H]1CCCN1CCCCNCc1ccc(B(O)O)cc1 585024021 SBYRZXVCTUPWHM-MRXNPFEDSA-N 306.215 -0.307 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cncc(C(=O)OC)c1 772241053 ZUDWRWWJCYVONU-QMMMGPOBSA-N 323.305 -0.029 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-n2nccn2)nc1 775518060 CFTQXGDXRRWKQG-UHFFFAOYSA-N 304.314 -0.623 50 20 DBGD Cc1cccnc1NNC(=O)CNS(=O)(=O)c1cnn(C)c1 791224060 NSMAMBAQIZGCQT-UHFFFAOYSA-N 324.366 -0.455 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-n2cncn2)nc1 802026245 CBBKMJUVDMIZDK-UHFFFAOYSA-N 324.304 -0.054 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2cc(Br)c[nH]2)n1 809972468 IREWVOWILKYKTA-UHFFFAOYSA-N 313.115 -0.020 50 20 DBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cnn[nH]2)cc1 812732969 DXQYFAXVOWIAEA-UHFFFAOYSA-N 310.339 -0.188 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2cccnc21)C(=O)N1CCCC1 819855222 SSZKDWFYHRXPMV-NSHDSACASA-N 302.334 -0.119 50 20 DBGD COC(=O)[C@H]1C[C@@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)C1 830870924 FHKRHCZIWMXYNN-VHSXEESVSA-N 315.370 -0.964 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)O 848586228 SWJSMIOUZDOLNO-ZETCQYMHSA-N 312.282 -0.940 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 852519935 DDLHJZIFHVHQFO-UHFFFAOYSA-N 323.309 -0.113 50 20 DBGD NS(=O)(=O)N1CCC[C@@H](C(=O)NCC(Cl)Cl)C1 854450145 BLDGMIYAUFSFBQ-ZCFIWIBFSA-N 304.199 -0.178 50 20 DBGD CCOC1(C)CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858699933 AIBIGPGHJAOMJD-JTQLQIEISA-N 312.370 -0.103 50 20 DBGD CCn1nc(C)c(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 860866688 UXPSVHMXYQVGRF-SECBINFHSA-N 308.342 -0.049 50 20 DBGD Nc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] 862449893 UONNISCZXREZNS-MRVPVSSYSA-N 307.266 -0.783 50 20 DBGD COc1ccc(/C=C\C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1O 862461062 LGVCBFXRTUWIDZ-NWPZZWLHSA-N 319.317 -0.160 50 20 DBGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)[C@H]1CCC(=O)N1 863148501 DDGWKVNOXDJGDN-NXEZZACHSA-N 301.368 -0.276 50 20 DBGD CCOC(=O)CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 863935576 QIMCAQUQBSNDIP-VIFPVBQESA-N 313.354 -0.218 50 20 DBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)C1CCOCC1 883684166 YHBPIZSWZNVFHR-GHMZBOCLSA-N 301.343 -0.453 50 20 DBGD O=C(NNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1cn[nH]c1 1118811356 VNKIVAARIWVQHQ-UHFFFAOYSA-N 320.353 -0.292 50 20 DBGD CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)co1 1118914572 BMKCASHUZJNWHI-VIFPVBQESA-N 316.144 -0.781 50 20 DBGD O=C(CCCn1cncn1)NNC(=O)CNC(=O)c1ccco1 1119588805 RRLAQZSUKQNDQV-UHFFFAOYSA-N 320.309 -0.771 50 20 DBGD CNC(=O)NNC(=O)c1nc2ncc(Br)cn2n1 1317958175 FTLHXOHEKOISHP-UHFFFAOYSA-N 314.103 -0.539 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1326361278 KODZTJGTPQFRRP-YUMQZZPRSA-N 310.285 -0.268 50 20 DBGD O=C(NNS(=O)(=O)c1ccoc1)[C@@H]1CCS(=O)(=O)C1 1327854266 BLLQOTBUSVJQDO-SSDOTTSWSA-N 308.337 -0.976 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNc1nncc(N)c1Cl 1329209721 LJNXFAXVCIBHFE-RXMQYKEDSA-N 317.737 -0.253 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)N1 1329644593 KXCAWYYYKJATBY-WZRBSPASSA-N 318.333 -0.415 50 20 DBGD Cc1nc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)n[nH]1 1334407896 IIAWVBQGRXFFCJ-VIFPVBQESA-N 301.372 -0.852 50 20 DBGD Cn1cnnc1SCC(=O)NNC(=O)Cc1cccnc1 1336039038 FMFSWPGEJKYBPS-UHFFFAOYSA-N 306.351 -0.308 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1cccc(Cl)n1 1350002563 URNIMVNTZBYRPP-UHFFFAOYSA-N 310.697 -0.355 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2nccc(Cl)c2F)N1 1351627494 HBTATTOYBPAYJN-LURJTMIESA-N 300.677 -0.086 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN1CCNCC1 1576295679 SIVUQCSDWDDZRR-LLVKDONJSA-N 324.356 -0.354 50 20 DBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H](CN)OC)o1 1577693027 HVEAUMDGOJXXER-LBPRGKRZSA-N 312.370 -0.144 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@H](C)N2CCNCC2=O)cc1 1578252662 JLMZSXQXIVLWEU-NSHDSACASA-N 318.377 -0.170 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1588573680 ITFSDQFXCUUUJN-SECBINFHSA-N 321.337 -0.439 50 20 DBGD CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)NNC(=O)C1CC1 1609667321 XIPREKZWQYWODO-QMMMGPOBSA-N 315.326 -0.088 50 20 DBGD COCCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349668 GNCQHXSHBIDHDR-SNVBAGLBSA-N 304.774 -0.174 50 20 DBGD O=C(c1cnccn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847557108 VDDOCMXQEQZBFE-SDDRHHMPSA-N 324.768 -0.108 50 20 DBGD CC(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558563 NYPAVRPAJWSXCK-BJDJZHNGSA-N 318.801 -0.195 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 139650108 SMIYZUBZOCBIGB-UHFFFAOYSA-N 323.353 -0.165 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1C(N)=O 274092578 QGTMKRSBHFOCBZ-UHFFFAOYSA-N 318.355 -0.158 50 20 DBGD O=C(NCC1CC1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 276333057 RKKQBWLFHBVTOI-GFCCVEGCSA-N 319.317 -0.500 50 20 DBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cnnn1 278544204 OIEQHJLIQMXPAK-QMMMGPOBSA-N 324.728 -0.059 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]2CCCC[C@@H]2N1 584958906 UWBTZTNZFKTVSS-STQMWFEESA-N 320.129 -0.611 50 20 DBGD O=S(=O)(NCB(O)O)c1c(F)c(F)c(F)c(F)c1F 585056228 RQCWRZRVKFGUNL-UHFFFAOYSA-N 304.989 -0.328 50 20 DBGD O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@@H](B(O)O)C1 585076609 YBAHIRPVUXDLSI-SNVBAGLBSA-N 323.158 -0.684 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCCC1 728466410 ZCHGEUXMPSBPLT-LBPRGKRZSA-N 324.381 -0.549 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(F)(F)F 735512496 IGDQIBDGVUKFLP-ZETCQYMHSA-N 309.248 -0.059 50 20 DBGD C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)NNC(=O)C(C)(C)C 744407764 RDLHCFZAKVERIW-NXEZZACHSA-N 319.427 -0.313 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)NC1CCCC1 754750792 XYYJMORATQQGFY-UHFFFAOYSA-N 309.388 -0.274 50 20 DBGD CC1=C(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCCO1 755645371 OSOSWDAXWAKFCG-VIFPVBQESA-N 317.367 -0.412 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1S(N)(=O)=O 768245489 BZJYKFMWHGJECC-UHFFFAOYSA-N 315.351 -0.826 50 20 DBGD C#C[C@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 773599063 XFPLWCOFXHLGGT-VIFPVBQESA-N 323.378 -0.055 50 20 DBGD Cn1cc(S(=O)(=O)NCC(=O)NNc2ccccn2)cn1 777471304 IIJSOOMSSQNRRO-UHFFFAOYSA-N 310.339 -0.763 50 20 DBGD O=C(NN=c1cc[nH]cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 780753539 HBUYLOKOBAUCPM-UHFFFAOYSA-N 319.346 -0.556 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1 786063135 HQOBXBFOIBPQJT-KCJUWKMLSA-N 321.289 -0.512 50 20 DBGD CN(C)c1c(C=NNC(=O)C2CCC2)c(=O)n(C)c(=O)n1C 807971272 OYBYJDXFBIRXDL-UHFFFAOYSA-N 307.354 -0.600 50 20 DBGD COCCN(C)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 822843415 MNASJKPOTVROME-HTQZYQBOSA-N 318.317 -0.181 50 20 DBGD CCCCNC(=O)NNC(=O)c1oc(S(N)(=O)=O)cc1C 823762561 GTTJYRMCHCAAJV-UHFFFAOYSA-N 318.355 -0.020 50 20 DBGD COCCCNC(=O)NNC(=O)COc1ccc(CO)cc1 823815650 IYHDRVLQKZIOIZ-UHFFFAOYSA-N 311.338 -0.075 50 20 DBGD CN(CCNC(=O)NNC(=O)c1cn[nH]c1)CC(F)(F)F 858213508 SXCCYMPNDRNRSB-UHFFFAOYSA-N 308.264 -0.152 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc(C(=O)N(C)C)cc1 869909168 LHFFMQGBLLXUSY-UHFFFAOYSA-N 323.349 -0.188 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCC(=O)NC1 916148252 PGNSRLIPQSGNIE-JTQLQIEISA-N 315.333 -0.070 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2n(c1=O)CCS2 1116028494 MULXTUZPVLPZHN-UHFFFAOYSA-N 320.334 -0.545 50 20 DBGD O=C(Cn1cc(Cl)cn1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1117702654 HSAKCDQAFAWHJU-ZETCQYMHSA-N 320.758 -0.881 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1261826905 FWYYUTMNQIKWRT-CIUDSAMLSA-N 318.399 -0.651 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNc2ccn(C)n2)c(C)o1 1320949655 VAMAFQJUOKPCFS-UHFFFAOYSA-N 313.339 -0.013 50 20 DBGD CC(C)(C=NNC(=O)CNC(=O)c1ccco1)S(C)(=O)=O 1322999886 WNOBDVBWJSQZBS-UHFFFAOYSA-N 315.351 -0.065 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)Cc1ccncc1)CC2 1324043213 UTXRISVUOOEQEK-LLVKDONJSA-N 314.349 -0.295 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)N1 1329644592 KXCAWYYYKJATBY-MDZLAQPJSA-N 318.333 -0.415 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)CCOC2)C(=O)NC1CC1 1347902258 SIGIPKJMTLSXPX-UHFFFAOYSA-N 303.318 -0.201 50 20 DBGD CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NNC(=O)CN 1575208436 KJKZMQVADOOVHE-LURJTMIESA-N 310.301 -0.359 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](n2cc(C(=O)O)nn2)C1 1590940361 YPLFXSKWRUKPQF-SECBINFHSA-N 324.341 -0.974 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)o2)cn1 1600932183 LUSLKQCWYQDMMB-UHFFFAOYSA-N 314.279 -0.665 50 20 DBGD O=C(O)[C@H](CC1OCCO1)NS(=O)(=O)CCCCl 1601645357 MWJLEISBKRDOTI-ZETCQYMHSA-N 301.748 -0.249 50 20 DBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1604105716 CEBHHFATYTYMLA-QMMMGPOBSA-N 308.294 -0.332 50 20 DBGD CSC1(CNC(=O)NNC(=O)C(=O)O)CCN(C)CC1 1610380958 OIDKDJDBILWJPY-UHFFFAOYSA-N 304.372 -0.771 50 20 DBGD COc1ccc(C(=O)O)cc1C=NNC(=O)CS(C)(=O)=O 1776097249 UONJUHOYLHXEDF-UHFFFAOYSA-N 314.319 -0.112 50 20 DBGD COCCCNC(=O)NNC(=O)CCCN(C)C(=O)OC 264251105 NIRWIJRKVZSMHX-UHFFFAOYSA-N 304.347 -0.168 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)COCc2ccccc2)CC1=O 265626009 OZBGJVQOCYNKFH-GFCCVEGCSA-N 305.334 -0.171 50 20 DBGD COc1cccc(NNC(=O)CCN2CCCS2(=O)=O)n1 272527239 MLWDBEIOGNBZPJ-UHFFFAOYSA-N 314.367 -0.041 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CC[C@](C)(C(N)=O)C2)n1 279694141 QESKRHAZSVVADL-AWEZNQCLSA-N 305.338 -0.058 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H]2CN3CCCN2CC3)n1 378322324 VVLABWUPXXGVOK-LLVKDONJSA-N 306.370 -0.373 50 20 DBGD COC(=O)NNC(=O)CCc1c(C)nc2nc(N)nn2c1C 490541788 MZYKUMBTTBNXMD-UHFFFAOYSA-N 307.314 -0.357 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCc2nnn(C)n2)cc(C#N)n1C 491176486 PVQHNCPECCEMHC-WCIBSUBMSA-N 310.321 -0.048 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(C(=O)OCC)C1 495553395 FOJMPKHAJPFHBS-VIFPVBQESA-N 302.331 -0.416 50 20 DBGD C[C@@H]([C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1)S(C)(=O)=O 584945625 JIWJOLOATMUTEL-ZJUUUORDSA-N 313.184 -0.740 50 20 DBGD CN(C)C1CCN(CCNC(=O)c2ccc(B(O)O)cc2)CC1 584961701 UZPHGFZYJMDLIP-UHFFFAOYSA-N 319.214 -0.878 50 20 DBGD CCOCc1nc([C@H](C)NC(=O)c2cccc(B(O)O)c2)no1 584990926 OIZKNUSVFWGKMO-VIFPVBQESA-N 319.126 -0.223 50 20 DBGD CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585058530 HVHPVXSGFLUNBA-SNVBAGLBSA-N 312.156 -0.118 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)c1cnn(C)c1 735522011 LDKWHPZGFIDNBM-UHFFFAOYSA-N 305.294 -0.487 50 20 DBGD Cc1cc(C)nc(-n2[nH]c(C(=O)NNC(=O)C3CC3)cc2=O)n1 741743132 NJXWYGWEQROQIO-UHFFFAOYSA-N 316.321 -0.257 50 20 DBGD CCS(=O)(=O)C[C@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C 744399466 NQXLDDPVZFHDGG-JTQLQIEISA-N 321.443 -0.065 50 20 DBGD CCN1CCO[C@H](C(=O)NNC(=O)COc2ccccc2O)C1 746234099 GEAFNXKMFZQEED-ZDUSSCGKSA-N 323.349 -0.361 50 20 DBGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)Cc1ccccc1F 746240067 UCWRIFAVZDPNHE-UHFFFAOYSA-N 321.268 -0.387 50 20 DBGD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NNC(=O)CO 753445328 XXPNWKWZLLKZGL-UHFFFAOYSA-N 319.365 -0.034 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)oc1C 758048392 SJVMDIDDFIOXEX-SSDOTTSWSA-N 303.340 -0.405 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@H]1C(N)=O 767119144 HVZJRCAURZWHAI-QMMMGPOBSA-N 302.400 -0.917 50 20 DBGD CCNC(=O)NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 769146486 FYSHXBCNERPZHC-AWEZNQCLSA-N 319.321 -0.295 50 20 DBGD CN(C)C1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCC1 783005080 PUDPFNIHPROFFS-LBPRGKRZSA-N 318.443 -0.148 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@](F)(CO)C2)c1 802011438 BCJPWXKLCCVHKZ-HNNXBMFYSA-N 320.324 -0.274 50 20 DBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cnn(C)n2)cc1 812730707 SQRQAWQEENOLAC-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD COC(=O)c1cc(NNC(=O)Cn2ncn(C)c2=O)ccc1C 816686776 DHOJBQPTKXNMBK-UHFFFAOYSA-N 319.321 -0.180 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCNC2)cc1 841939698 USDKULDJWGHPJT-SNVBAGLBSA-N 308.338 -0.234 50 20 DBGD C[C@@H]1CNCCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 843347291 QGBZDDZXLRHKHS-SNVBAGLBSA-N 321.337 -0.351 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)COc1ccc(C#N)cc1 854193043 MMCJZOZUOCIURW-GFCCVEGCSA-N 307.306 -0.254 50 20 DBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1ccc(-n2cnnn2)cc1 854235905 GCRQRNAGHXLEHY-NSHDSACASA-N 302.294 -0.806 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)c1cnn(C[C@H](O)CO)c1 854247358 VYXMVSDISXCCQI-LBPRGKRZSA-N 318.333 -0.380 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1n[nH]c(C)c1O 854283369 SXMVTSIHQBABAY-UHFFFAOYSA-N 301.372 -0.089 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn(C)c2Cl)CC1 854382873 OCQVTDPCCKRYIP-UHFFFAOYSA-N 300.750 -0.325 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NN(C)C(=S)NC)C1 854925601 JLCZNIDZHPVAFQ-VIFPVBQESA-N 322.456 -0.485 50 20 DBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=S)NCC1CCC1 855092292 YKCOQKSZGTVLBF-UHFFFAOYSA-N 313.343 -0.518 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)(F)F)c1cc[nH]n1 855356473 RUJSJGAMGCEFCM-QMMMGPOBSA-N 321.259 -0.566 50 20 DBGD C[C@](O)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 858697967 VSIIGXDUXXBNQR-ABAIWWIYSA-N 320.349 -0.497 50 20 DBGD C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858700458 MCSULBRVJWQEGM-GRYCIOLGSA-N 323.397 -0.436 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc3c2OCCO3)N1 860495372 JJQAXGZSXAKZLW-SECBINFHSA-N 320.305 -0.111 50 20 DBGD COc1ccc(C#N)cc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860545166 MSZUYUKKGOMLHW-SECBINFHSA-N 317.305 -0.002 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2nc3ccccn3n2)N1 860894903 BNBMHGWRUZGZMS-SSDOTTSWSA-N 303.282 -0.839 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)CN1CCCC1=O)CCCC2 913731482 KHNWFQDIYPXUFM-UHFFFAOYSA-N 319.365 -0.318 50 20 DBGD O=C(NCCNC(=O)c1cccnc1)NNC(=O)c1ccc[nH]1 916443290 ALAHDYJULLHTOH-UHFFFAOYSA-N 316.321 -0.216 50 20 DBGD O=C(NNC(=O)c1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1 919886293 SOSZSBFJDLVVEB-SNVBAGLBSA-N 315.326 -0.043 50 20 DBGD O=C(COC(=O)CO[C@H]1CCOC1)NNC(=O)c1ccccc1 1252527435 WSEBLYXVVGUXKA-LBPRGKRZSA-N 322.317 -0.204 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1261497604 FHRGENLFLRJNSC-WCBMZHEXSA-N 307.354 -0.193 50 20 DBGD Cn1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)c1C(F)F 1318221841 GHXPSYBMFPOYON-UHFFFAOYSA-N 315.280 -0.259 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNc2ncc(F)cn2)co1 1319648426 XYXCPOJVPHWAGD-UHFFFAOYSA-N 315.286 -0.126 50 20 DBGD CCNC(=O)N(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 1319842228 GZUJOLXFUPDUEJ-UHFFFAOYSA-N 306.388 -0.650 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCCS1(=O)=O 1320709187 SIKCLHFCDAGANB-VIFPVBQESA-N 300.340 -0.933 50 20 DBGD CCc1nnc(CNC(=O)NNC(=O)c2cnn(C)c2)s1 1324001868 VBJBROQXHXDVTM-UHFFFAOYSA-N 309.355 -0.022 50 20 DBGD CC(=O)c1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1C 1327084960 QMBUGMOXTRPEFF-UHFFFAOYSA-N 307.306 -0.334 50 20 DBGD COC(=O)[C@H]1CC(F)(F)CN1CC(=O)NNC(=O)C1CC1 1331219621 NCCKXJIDTGYDFA-MRVPVSSYSA-N 305.281 -0.574 50 20 DBGD CC(=O)NCCCCCC(=O)NNC(=O)CN1CCCC1=O 1339723741 RJIYLALOMPAFAI-UHFFFAOYSA-N 312.370 -0.547 50 20 DBGD O=C(N1CCOCC1)N1CCN(S(=O)(=O)CCl)CC1 1347839214 SACGSMAAAJYYDE-UHFFFAOYSA-N 311.791 -0.418 50 20 DBGD Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1351592668 SPPLHZPFDFHTKU-SECBINFHSA-N 319.321 -0.937 50 20 DBGD CO[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C(=O)O)C1 1599122100 LHGHZNWHEXCLSM-VXGBXAGGSA-N 307.111 -0.929 50 20 DBGD CC(C)(C(=O)O)C(=O)NNc1nccc(N2CCOCC2)n1 1602836747 JQHQZXFOKBPPFC-UHFFFAOYSA-N 309.326 -0.133 50 20 DBGD COc1cc(C(=O)NN(C)C[C@H](C)O)ccc1-c1nn[nH]n1 1605196508 GSDBEEUGXKQUDC-QMMMGPOBSA-N 306.326 -0.167 50 20 DBGD Cc1onc(CC(=O)NNC(=O)CC2CC2)c1-c1nn[nH]n1 1609471230 BSPFRUJPOCELFJ-UHFFFAOYSA-N 305.298 -0.347 50 20 DBGD C[C@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1795951521 FXAHRYAILSRPFK-ZIQFBCGOSA-N 317.817 -0.181 50 20 DBGD CCOC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 29440400 HTBYYOFGEVLEBX-LLVKDONJSA-N 319.321 -0.116 50 20 DBGD CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CN(C)C 75653127 SNDNGGRYVAMGPQ-LBPRGKRZSA-N 310.354 -0.257 50 20 DBGD CS(=O)(=O)[C@H]1CCN(S(=O)(=O)CBr)C1 96365181 PTPHNRDFZCQHDW-LURJTMIESA-N 306.203 -0.213 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 138953957 RESMWKYNWXIRPP-SSDOTTSWSA-N 308.429 -0.350 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266287586 YDFWAUQXESAJIX-HZQMYPQZSA-N 323.349 -0.658 50 20 DBGD CCO/C=C(\C#N)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 269937769 CUANRXBEPPDZKK-PBQZMEPESA-N 301.368 -0.029 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 276674304 VEZGLMQNCBAYHP-NWDGAFQWSA-N 320.349 -0.413 50 20 DBGD CC(C)[C@@H](O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 285696972 SBUHTZLQVFVSIE-GFCCVEGCSA-N 321.381 -0.143 50 20 DBGD NC(=O)c1ccccc1NCC(=O)NNC(=O)[C@H]1CCCCO1 295553882 MEKJURKENPSVAH-GFCCVEGCSA-N 320.349 -0.086 50 20 DBGD C#CCNC(=O)C1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 491069918 ZEWCWXWHRRQHBM-UHFFFAOYSA-N 322.409 -0.359 50 20 DBGD CCN(Cc1cnn(C)c1)C(=O)c1ccc(B(O)O)c(F)c1 584944258 QPLNOKXIDSRRLE-UHFFFAOYSA-N 305.118 -0.099 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@](=O)C1 584982467 KYEXXUSXIJKJRA-FPVGNUTFSA-N 313.159 -0.654 50 20 DBGD CC[C@@H]1CN(CCNC(=O)c2ccc(B(O)O)c(F)c2)CCO1 584983137 SYUCDBJFBFYZNI-GFCCVEGCSA-N 324.161 -0.654 50 20 DBGD COCCO[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584987796 ZJWKUWGVSAMMTL-AWEZNQCLSA-N 307.155 -0.366 50 20 DBGD C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(B(O)O)cc1 584988349 LOOBBPMSPPKPCT-WFASDCNBSA-N 318.182 -0.698 50 20 DBGD CCS(=O)(=O)N(C)CCCNCc1cccc(B(O)O)c1 585015429 BTXAOOVWVVWSBV-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD Cc1cc(CNCc2ccccc2B(O)O)nc(N(C)C)n1 585037709 HPGACKOKLDTJIH-UHFFFAOYSA-N 300.171 -0.179 50 20 DBGD CC(C)(CNCc1ccc(B(O)O)cc1F)[C@@]1(O)CCOC1 585047399 BNIAIQKUWOKIPX-OAHLLOKOSA-N 311.162 -0.227 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=S)NCCN(C)C 740772929 SFOPYPVPLOKDKS-UHFFFAOYSA-N 303.432 -0.652 50 20 DBGD COc1ccc(-n2nnc(C(=O)NNC(=O)CO)c2C)cc1 753445386 IDXAQLGTUXXOMN-UHFFFAOYSA-N 305.294 -0.662 50 20 DBGD O=C(NN=C1CCN2CCC[C@@H]12)N[C@@H]1CCS(=O)(=O)C1 765573176 XKIMRGNQNYDYAV-KOLCDFICSA-N 300.384 -0.303 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(CO)n1 767083010 FLHBLZVJRKLJQO-ZETCQYMHSA-N 301.372 -0.029 50 20 DBGD COCCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CO)c1C 777781912 IJLJWRHWZBBLOE-UHFFFAOYSA-N 313.310 -0.812 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)Cn1cnc2ccccc21 806343779 QAIPSGPRIWMQIR-GFCCVEGCSA-N 315.333 -0.196 50 20 DBGD C[C@@H](CO)N(C)NC(=O)Cn1cc(Br)ccc1=O 823971423 TXQVNURMJWQMIQ-QMMMGPOBSA-N 318.171 -0.045 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 833256993 SGXBZSFJMJLGLZ-MNOVXSKESA-N 313.354 -0.802 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842588866 FEMUFVOPFOZPDT-IUCAKERBSA-N 322.383 -0.439 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OCC(N)=O 843640261 BEUUNNKRXVHCEP-NXEZZACHSA-N 321.333 -0.263 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNc1ccc(Cl)cn1 851943865 GQDVBWHUODCLOM-UHFFFAOYSA-N 307.763 -0.090 50 20 DBGD CCOC1(C(=O)NNC(=O)N2CCN(C)CC2)CCOCC1 854378959 JHBOWPSLHIRIAF-UHFFFAOYSA-N 314.386 -0.440 50 20 DBGD O=C(NNC(=O)c1ccnc(N2CCCC2)n1)c1cc[nH]n1 855357907 UOUAENBETSVRHL-UHFFFAOYSA-N 301.310 -0.125 50 20 DBGD O=C(NNC(=O)c1c[nH]c2cccnc12)C(=O)N1CCCC1 857093848 QTACOQGIRGSPSK-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC[C@H](O)c2ccccc2)N1 858698225 XFYJWGZDBOAONS-NEPJUHHUSA-N 320.349 -0.281 50 20 DBGD NS(=O)(=O)C1(C(=O)NNCC(F)(F)C(F)(F)F)CC1 863100379 WYGRQWQDOGTXSF-UHFFFAOYSA-N 311.232 -0.374 50 20 DBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)[C@H]1CCC(=O)N1 863147243 BJCPJBOJOAZWPO-MWLCHTKSSA-N 306.322 -0.049 50 20 DBGD CCOC(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCC1 863874272 SYVFIIBKJLYPQA-UHFFFAOYSA-N 305.139 -0.170 50 20 DBGD Cc1nn(C)c2c1N(C(=O)c1cccc(B(O)O)c1)CCO2 866517485 KZCFIGPRYXXEIN-UHFFFAOYSA-N 301.111 -0.552 50 20 DBGD CCOC(=O)C(C(=O)OCC)N(C)S(=O)(=O)CCl 882213849 IGJYNECQKPDHLK-UHFFFAOYSA-N 301.748 -0.061 50 20 DBGD CCOCCO[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 918147945 NJVFOXRCYIHURS-NWDGAFQWSA-N 322.427 -0.080 50 20 DBGD COC(=O)N(C)NC(=O)c1nnn(Cc2noc(C)n2)c1C 1117157371 LZXSEKNGJBASKQ-UHFFFAOYSA-N 309.286 -0.331 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNc1nncc(N)c1Cl 1118872783 LJNXFAXVCIBHFE-YFKPBYRVSA-N 317.737 -0.253 50 20 DBGD CC[S@](=O)CCNC(=O)NNC(=O)c1cccc(F)n1 1261639839 OSTKQLRPOWGTHV-FQEVSTJZSA-N 302.331 -0.067 50 20 DBGD COCCn1nc(C(=O)NNC(=O)c2ccc[nH]2)ccc1=O 1317728881 KUKGWIQDMZGGJL-UHFFFAOYSA-N 305.294 -0.707 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)n1ccnc1 1319174940 ORWMCXDTTVTITM-SNVBAGLBSA-N 316.321 -0.584 50 20 DBGD CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NNC(=O)CCO)c1 1320237670 QIFVGEPIWYFBOP-UHFFFAOYSA-N 322.321 -0.578 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1320627025 YZEMEWJKOAYVDT-UHFFFAOYSA-N 306.322 -0.083 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccnc2)n1 1321139973 FMGGAOWSIAEEJK-UHFFFAOYSA-N 316.321 -0.319 50 20 DBGD CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 1324294540 YSYJABQGHODLBT-UHFFFAOYSA-N 318.333 -0.007 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)N1 1329175661 ZBGVVIYDEKPNRW-LNFKQOIKSA-N 310.354 -0.447 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331881194 HAJKGNFVRVBYFI-KWQFWETISA-N 305.338 -0.734 50 20 DBGD CN(C)Cc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)no1 1337550237 SJLLDAPLDYMQDI-UHFFFAOYSA-N 309.326 -0.880 50 20 DBGD CN(C)C(=O)COc1ccc(NC(=O)NNC(=O)CCO)cc1 1338052806 ROYPXPJREFTBAI-UHFFFAOYSA-N 324.337 -0.311 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnnn1C1CCNCC1 1576903477 KKAPQMNCHQIORB-MWLCHTKSSA-N 322.369 -0.611 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN[C@H]([C@H]2CCCO2)C1)c1ncccn1 1580736171 NBNHRZSEZLGLIA-GRYCIOLGSA-N 319.365 -0.215 50 20 DBGD O=C(NCc1cc2ccccc2nc1O)NNC(=O)C(=O)O 1601532026 KXKHDRUJWDNZNS-UHFFFAOYSA-N 304.262 -0.145 50 20 DBGD C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783883964 XHWMLKOZOJAABC-RISCZKNCSA-N 314.769 -0.297 50 20 DBGD CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792976571 XTRWVKPZEHYHFJ-DTHBNOIPSA-N 304.774 -0.414 50 20 DBGD C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839807555 GVSVVVODMXNPHN-YPMHNXCESA-N 318.732 -0.390 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)C)cc1 8390252 KLCVSOOECFPTPO-UHFFFAOYSA-N 309.322 -0.254 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1 174686914 PBCJGRWUUOALPB-GFCCVEGCSA-N 317.349 -0.645 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)CN2CCCC2=O)cc1 263663282 HGRZASYXXDPHJR-UHFFFAOYSA-N 320.349 -0.123 50 20 DBGD NS(=O)(=O)N1CCC(C(=O)NNc2ccnc(F)c2)CC1 272762621 PDHMYIHBHIWYOT-UHFFFAOYSA-N 317.346 -0.421 50 20 DBGD COC(=O)Cc1cccc(S(=O)(=O)NNC(=O)OC)c1 290731883 WCURYFYWBNYODA-UHFFFAOYSA-N 302.308 -0.049 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)C(=O)NC1CC1 298650027 BYFRDCAGLVGENE-MRVPVSSYSA-N 310.354 -0.893 50 20 DBGD CCNC(=O)N1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584962005 FUDWMVRCJXMRCY-JTQLQIEISA-N 323.133 -0.961 50 20 DBGD C[C@@H](CCNC(=O)c1ccc(B(O)O)c(F)c1)[S@](C)=O 584962632 JGIITTQFOWXCHD-FHZGZLOMSA-N 301.148 -0.608 50 20 DBGD CC[C@H]1CN(CCNC(=O)c2cccc(B(O)O)c2)CCO1 584982934 RSHSQRQVJZPXPS-AWEZNQCLSA-N 306.171 -0.793 50 20 DBGD C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(B(O)O)cc1 584988346 LOOBBPMSPPKPCT-DOMZBBRYSA-N 318.182 -0.698 50 20 DBGD CCn1nc(C)c(CNC(=O)c2ccc(B(O)O)c(F)c2)n1 584999377 AYDQABQLYMCNME-UHFFFAOYSA-N 306.106 -0.645 50 20 DBGD O=C(Cn1nnc(-c2ccccc2)n1)N1CC[C@H](B(O)O)C1 585070839 GRFKQTQZXPAAHC-NSHDSACASA-N 301.115 -0.585 50 20 DBGD COCCC(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 728732208 WLMKOHQKWBPZNC-UHFFFAOYSA-N 315.351 -0.279 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 745848030 KBVAMZAGKGPATF-NRFANRHFSA-N 314.323 -0.083 50 20 DBGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)NC 746160006 TYUKSOWPBTVGIJ-ZETCQYMHSA-N 313.318 -0.213 50 20 DBGD C[C@H]1CN(C)CC1=NNC(=O)CSc1nnc(O)nc1O 752162010 ZOBJPMUYACNQDZ-LURJTMIESA-N 312.355 -0.571 50 20 DBGD CC(C)NS(=O)(=O)NCCNC(=O)NNc1ccccn1 759519856 GWZQGLGNPNSYIL-UHFFFAOYSA-N 316.387 -0.460 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 764420586 CORSTWZABUYTNU-UHFFFAOYSA-N 323.202 -0.077 50 20 DBGD CCn1ncc2ccc(NC(=O)C(=O)NNC(=O)CO)cc21 764428626 IXZMOTQKSGUUGJ-UHFFFAOYSA-N 305.294 -0.866 50 20 DBGD CCN(CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C1CC1 768128051 ZKYDTEXADVNMSV-LBPRGKRZSA-N 303.428 -0.037 50 20 DBGD CCCCNC(=O)NNC(=O)CNS(=O)(=O)CCCOC 770161103 XBVMYHPEMMKZCL-UHFFFAOYSA-N 324.403 -0.927 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ccccn2)C1=O 777469221 FZDWTMKPKCDLBV-UHFFFAOYSA-N 303.278 -0.499 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)NCc2nnn(C)n2)c1 787442547 SVRACDRPSNLGQX-UHFFFAOYSA-N 319.325 -0.572 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnc(S)[nH]1 800690334 OZVOCHHVFDEQEE-UHFFFAOYSA-N 309.307 -0.518 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)C2CCCC2)C1 801055641 QWZCNUZFSURAGK-UHFFFAOYSA-N 318.399 -0.413 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C(N)=O)s2)CC1 807378421 BRNCPQRDNJQFJE-UHFFFAOYSA-N 311.367 -0.551 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc(CN2CCCC2)on1 813428279 VWAHFKWFFFVIAS-UHFFFAOYSA-N 323.353 -0.043 50 20 DBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNc1cnnn1C 816769669 QWBSPLUTTKKYSH-ZETCQYMHSA-N 308.264 -0.039 50 20 DBGD CN(NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 819645989 ICNZNMGBLPTJTK-LBPRGKRZSA-N 310.398 -0.708 50 20 DBGD O=C(NNC(=O)[C@@H]1CCNC1=O)c1ccc2c(c1)OCCO2 820115182 YIZDYFXAHKMOKV-SECBINFHSA-N 305.290 -0.645 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)c1ccccc1F 833121238 QCDFSVYRBYTHPL-UHFFFAOYSA-N 307.241 -0.423 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 833441939 KSHOTMBMVAENFF-YUMQZZPRSA-N 315.326 -0.231 50 20 DBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 836320176 YRDNEHBWPHVLPE-WDEREUQCSA-N 312.370 -0.105 50 20 DBGD CN(C)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 843778967 NGXOSAMMECDWIN-UHFFFAOYSA-N 318.330 -0.594 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(S(N)(=O)=O)s1 854925953 PQEFRSKGTHKQCZ-UHFFFAOYSA-N 308.410 -0.524 50 20 DBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855833234 QAMZERHDPMUARU-VIFPVBQESA-N 314.386 -0.412 50 20 DBGD Cc1cccc2c1O[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C2 862462424 WVVZDBHBPYLGTE-QWRGUYRKSA-N 303.318 -0.275 50 20 DBGD CCOC(=O)C1(S(=O)(=O)N2CC[C@@H](B(O)O)C2)CCC1 864233874 ZPABBCZRZFOKRM-SECBINFHSA-N 305.161 -0.649 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H](CO)CN2CCCC2)cn1 908200867 BHDHPAUALDLXOJ-BLXFFLACSA-N 303.366 -0.100 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1 920432876 IMGRAHPWEGLTIT-LLVKDONJSA-N 324.381 -0.595 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)O1 1116269023 UWJLKMFRIRJDRU-NTSWFWBYSA-N 312.248 -0.698 50 20 DBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116924452 TVUVSZJOBVRWPA-MRVPVSSYSA-N 316.383 -0.112 50 20 DBGD O=C(CCc1nc2cccnc2[nH]1)NNC(=O)N1CCOCC1 1251964150 UBHPDXCMXMERKL-UHFFFAOYSA-N 318.337 -0.037 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](CCN(C)C)C(C)(C)C 1252438689 QATZMGOESAFJJT-SECBINFHSA-N 302.375 -0.144 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 1321131824 YYWLYPMZGOHOBZ-UHFFFAOYSA-N 318.333 -0.053 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCCC1(O)CCOCC1 1323136449 HRIUOZDFJQXYGC-UHFFFAOYSA-N 322.365 -0.114 50 20 DBGD CC(C)(C)n1nnc(CNC(=O)NNC(=O)C2CCNCC2)n1 1332946878 PHRSCPDLBHYBNG-UHFFFAOYSA-N 324.389 -0.742 50 20 DBGD C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CN2C1 1346387539 IEQZZHHBDAVLLK-JHJVBQTASA-N 322.409 -0.123 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2cc(C(=O)O)nn2C)n1 1574389420 NGCSSKXOYCVYRB-UHFFFAOYSA-N 303.278 -0.103 50 20 DBGD COC(=O)[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1591283262 KCJLDWVURIANSG-DTORHVGOSA-N 317.309 -0.096 50 20 DBGD O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(B(O)O)c1 1594787206 QTWDECVHODPFON-CQSZACIVSA-N 313.118 -0.208 50 20 DBGD O=C(O)c1ccc(CNC(=O)c2cc(B(O)O)ccc2F)nc1 1602343734 SAKSDWSSUOWSGI-UHFFFAOYSA-N 318.069 -0.471 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCCC(=O)O)C[C@H](C)O1 1603461479 POBWBGXIJVQTCG-QWRGUYRKSA-N 315.370 -0.112 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)Nc1ccc(C(=O)O)nn1 1608476906 BQCYYQVPSKAMBE-MRVPVSSYSA-N 309.282 -0.103 50 20 DBGD CC[C@@H](NC)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1843001525 YYLBBJHYWGGRLT-GHMZBOCLSA-N 317.817 -0.213 50 20 DBGD C[C@](NCC(=O)NNC(=O)C1CC1)(C(N)=O)c1ccccc1 112979021 KVHUSXRIMRPDBT-OAHLLOKOSA-N 304.350 -0.466 50 20 DBGD CN(C)c1ccc(NC(=S)NNC(=O)Cn2cnnn2)cc1 267463058 RIRGAMHDRMTKCZ-UHFFFAOYSA-N 320.382 -0.243 50 20 DBGD COC(=O)CCCC(=O)NNC(=O)CNC(=O)c1ccco1 274039771 FJXSLIGSRWPLPB-UHFFFAOYSA-N 311.294 -0.500 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1-n1cnnn1 277966671 NCITVWJVTXQANE-UHFFFAOYSA-N 320.309 -0.797 50 20 DBGD O=C(NNC(=O)C(F)(F)C(=O)N1CCOCC1)C1CCC1 296387167 SMCDGTNSNNKAST-UHFFFAOYSA-N 305.281 -0.572 50 20 DBGD O=C(CN1CCC(O)(CO)CC1)NNC(=O)c1cccs1 313634745 KGYRWECWFHKINU-UHFFFAOYSA-N 313.379 -0.672 50 20 DBGD C[C@H](N)[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 316649049 QHXNRJQXGSAMQC-WCQYABFASA-N 306.366 -0.504 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C(=O)C2CCC2)CC1 584942459 HRCXCRGRBKYEBR-UHFFFAOYSA-N 316.166 -0.549 50 20 DBGD CCC[C@]1(C)C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584979307 PYJRFRLVDSBBGT-OAHLLOKOSA-N 322.145 -0.364 50 20 DBGD CNC(=O)[C@@]1(C)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584982391 GAJMAYIBMBTBGW-AWEZNQCLSA-N 308.118 -0.896 50 20 DBGD CN1CCO[C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@H]21 584987886 WXXCNJQZIQQCCH-KGLIPLIRSA-N 322.145 -0.949 50 20 DBGD C[C@@H]1CC[C@H](NCc2ccc(B(O)O)cc2F)CS1(=O)=O 585047255 MCKKJAVLSKAGMN-SKDRFNHKSA-N 315.175 -0.439 50 20 DBGD CC1=C(C(=O)N2CC[C@@H](B(O)O)C2)[C@H](C)n2ncnc2N1C 585064113 MORIPUPGUDJDMK-VHSXEESVSA-N 305.147 -0.362 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)N2CCS(=O)(=O)CC2)c1 729229811 PPLZMDAXTOIYCA-UHFFFAOYSA-N 322.346 -0.357 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)O)ccc1OC 737681450 QVRMPMIGMRKOFW-UHFFFAOYSA-N 304.280 -0.057 50 20 DBGD O=C(NNC(=O)c1cccc2c1OCO2)C(=O)N1CCCC1 748240755 WZEXLCXYJKUSLO-UHFFFAOYSA-N 305.290 -0.201 50 20 DBGD COc1nccnc1NNC(=O)Cn1nc2ccccn2c1=O 764460935 SVXAXHRONLNNDK-UHFFFAOYSA-N 315.293 -0.562 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CN(C)S(C)(=O)=O 777773764 YFUKRKKADRYJOS-UHFFFAOYSA-N 315.351 -0.192 50 20 DBGD CNC(=O)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 779482469 SKQKJZITEFGVFU-IUCAKERBSA-N 310.335 -0.349 50 20 DBGD COCCN1CCN(S(=O)(=O)CBr)CC1=O 782479558 YMHBSOIAIDDSLU-UHFFFAOYSA-N 315.189 -0.541 50 20 DBGD COC(CN(CCCO)S(=O)(=O)CBr)OC 786119802 BMOCRMYHYLEXSI-UHFFFAOYSA-N 320.205 -0.028 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nccn2C1)C(=O)N1CCCC1 786852312 SZGSGPMHXXUGHR-SNVBAGLBSA-N 305.338 -0.785 50 20 DBGD CCOCC(=O)NNC(=O)NCc1ccc(NC(C)=O)nc1 789299189 PFNYKMIIFFGZOV-UHFFFAOYSA-N 309.326 -0.093 50 20 DBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 793177034 POSSBUPNZAJENE-IVZWLZJFSA-N 321.399 -0.435 50 20 DBGD CCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 798121041 KFNUIBHTWOLJCO-NSHDSACASA-N 308.290 -0.073 50 20 DBGD Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)CO 810389240 CNMGGZRWQQBPKH-UHFFFAOYSA-N 320.227 -0.513 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 823952864 UYCFQVPMDRINFH-ZWNOBZJWSA-N 319.361 -0.151 50 20 DBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)CNC(=O)c1ccco1 825265621 DKYXEZCJARUDLT-VIFPVBQESA-N 322.321 -0.832 50 20 DBGD O=C(NNc1nc(-c2ccncc2)no1)C1(n2cnnn2)CC1 825303407 HPYAAURVTAYPEV-UHFFFAOYSA-N 313.281 -0.250 50 20 DBGD CS[C@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@@H]1N(C)C 828551255 ZKGFYCWTWIUPQA-QWRGUYRKSA-N 302.444 -0.233 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@]1(c2ccccc2)CNC(=O)C1 832754431 IZTZCKUXJVFRNU-HNNXBMFYSA-N 305.334 -0.637 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 858124597 MUYSUJBJEBVADE-STQMWFEESA-N 321.333 -0.256 50 20 DBGD C[C@@H]1CCSCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858699222 MFLKWTVTBXBBGA-BDAKNGLRSA-N 300.384 -0.167 50 20 DBGD Cn1nc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C1CC1 861128264 FNYYELXJDNVBRT-QMMMGPOBSA-N 306.326 -0.271 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1COc2ccccc2C1 863459258 MYAAZOYMYJXDAE-JTQLQIEISA-N 312.347 -0.570 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3C[C@@]34CCOC4)nc21 1116597419 HTBPQOZZXCLQFC-AMIZOPFISA-N 304.310 -0.061 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1c(C)nc(C)nc1O 1116663948 VARBSAXUHVVUIP-QMMMGPOBSA-N 324.337 -0.169 50 20 DBGD COCC1(CC(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1326652829 FWYWAXHZAGVDMK-UHFFFAOYSA-N 306.322 -0.016 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1328932682 PLRQGIHPAPTDAI-SFYZADRCSA-N 304.441 -0.241 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)CN1CCCC1=O 1334260262 MWNTVCQHYUTSNT-JTQLQIEISA-N 319.365 -0.390 50 20 DBGD C[C@H]1Cc2cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc2O1 1337203292 OYHHZCQRAUJFLD-VIFPVBQESA-N 320.349 -0.343 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 1337960953 JURBROKLUMROSM-UHFFFAOYSA-N 317.309 -0.533 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCCN1C(=O)CCC1=O 1339047224 HBWDGVHTGKLBFZ-UHFFFAOYSA-N 319.321 -0.897 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cccnc1F 1349154650 WZXJBYVWQHWCRA-SFYZADRCSA-N 310.285 -0.268 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNc2ccnc(F)c2)C1=O 1574718636 ANVRAOJXXUXHKZ-VIFPVBQESA-N 310.285 -0.013 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C(=O)O)O1 1599927834 KIJAIAOPPRYCCY-IUCAKERBSA-N 301.343 -0.646 50 20 DBGD O=C1C[C@@H](C(=O)NNc2ccc(F)c(C(=O)O)c2)NC(=O)N1 1602653455 QKYQPSBZNHCBOM-QMMMGPOBSA-N 310.241 -0.435 50 20 DBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1605023741 ZQDMBUKYLMRRQQ-KQDJYFMNSA-N 304.266 -0.824 50 20 DBGD O=C(NCCc1ccnn1-c1ccccc1)NNC(=O)C(=O)O 1608454544 LSPNUMRTUKKKET-UHFFFAOYSA-N 317.305 -0.170 50 20 DBGD O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)C(=O)NC1CC1 9889350 FMDKEUODFNEUTC-UHFFFAOYSA-N 322.277 -0.600 50 20 DBGD COc1ccnc(NNC(=O)C(C)(C)NS(C)(=O)=O)n1 266124956 XDIAYODNGFUDNY-UHFFFAOYSA-N 303.344 -0.744 50 20 DBGD COCCN1C[C@H](C(=O)NNc2ncnc3nc[nH]c23)CC1=O 266423606 BHZWCIAEVKPTMH-MRVPVSSYSA-N 319.325 -0.709 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1COCCO1 266656572 BKHDPACBPZUBJT-MRVPVSSYSA-N 303.315 -0.926 50 20 DBGD COC(=O)NNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 274310402 TZUOVQUPPCXKBL-LLVKDONJSA-N 307.306 -0.199 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(O)Cc3ccccc3C2)cn1 369927936 RNFRDYOIHXSNSH-UHFFFAOYSA-N 300.318 -0.289 50 20 DBGD CC(=O)N1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584926220 GNQFVEQZBYINLU-UHFFFAOYSA-N 308.118 -0.800 50 20 DBGD O=C(NCCCNC(=O)C1CCC1)c1ccc(B(O)O)cc1 584961486 SDIGPUAKZLSIQI-UHFFFAOYSA-N 304.155 -0.597 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@]2(CCCOC2)O1 584984797 ZDTXDAIZUDSCSQ-MLGOLLRUSA-N 319.166 -0.224 50 20 DBGD O=C(CCNCc1ccc(B(O)O)o1)NCc1ccccc1 585021217 QVNUWHGFLXMACN-UHFFFAOYSA-N 302.139 -0.245 50 20 DBGD O=C(NCc1nc(-c2ccc(B(O)O)cc2)no1)NC1CC1 585048845 FFKGHCYIQCKNHZ-UHFFFAOYSA-N 302.099 -0.622 50 20 DBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCB(O)O)cc1 585062362 GMWQSMBKTFYIDE-GFCCVEGCSA-N 306.127 -0.572 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc([N+](=O)[O-])[nH]1 725741562 RULHWMTXQOMMQR-UHFFFAOYSA-N 321.249 -0.293 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2c[nH]nc2C)ccc1=O 732082751 IYVJPLWFXZSIFM-UHFFFAOYSA-N 319.321 -0.399 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCCCN2CCOCC2)cn1 735472724 AZEGPWMMWSMLIX-UHFFFAOYSA-N 309.370 -0.316 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 746622980 HZRCZRFJZZMFIX-QMMMGPOBSA-N 300.340 -0.329 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc2cnccc12 748763620 CNYQNLYYCHYPMS-UHFFFAOYSA-N 315.333 -0.070 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(Cl)cc1 751565006 DCJZNBJGOWSYBF-UHFFFAOYSA-N 319.770 -0.421 50 20 DBGD C#CCOCCNC(=O)NNc1ccc(-n2cccn2)nn1 753379552 SAICZMXDIMRDOR-UHFFFAOYSA-N 301.310 -0.062 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1cc(Cl)nc(N)n1 753449207 AMNBASIRIKYWHO-YFKPBYRVSA-N 307.763 -0.164 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2cnccc12 764204697 RZLCSTNAOBMXMM-UHFFFAOYSA-N 315.333 -0.118 50 20 DBGD COCCCNC(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 770711322 PSHKLVXRZZHYCU-UHFFFAOYSA-N 323.309 -0.607 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(-c2nc[nH]n2)cc1 771108242 ZXVLYFQPZWJPQS-UHFFFAOYSA-N 316.321 -0.243 50 20 DBGD CCCNC(=O)NNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 772691215 IKGZMMCTRHLLDX-JTQLQIEISA-N 320.415 -0.213 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CCCCS1(=O)=O 776156042 JPFDWRIRYIRLLC-ZETCQYMHSA-N 310.339 -0.237 50 20 DBGD CCCN1CCN(CC(=O)NNC(=O)C2CC2)C(C)(C)C1=O 778412401 AEKMLBBFXRPUIW-UHFFFAOYSA-N 310.398 -0.123 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1(OC)CCC1 780862206 WWFPHTLHIKHEST-SNVBAGLBSA-N 303.359 -0.063 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1n[nH]cc1C(=O)OCC 782478729 SJDVQEGOLFHJHC-UHFFFAOYSA-N 319.343 -0.559 50 20 DBGD O=C(COC(=O)Cn1cccn1)NNC(=O)c1cccs1 792669303 VZLUDOOHPHPIEB-UHFFFAOYSA-N 308.319 -0.051 50 20 DBGD N#CC1(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 797581515 WLXDNGGHVWEQAW-UHFFFAOYSA-N 305.294 -0.356 50 20 DBGD CO[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 814380570 KAZDKKRXLWLYCG-OUAUKWLOSA-N 318.395 -0.226 50 20 DBGD CC(C)[C@@H](C(=O)NN(C)[C@H](C)CO)N1CCCS1(=O)=O 823946688 MURYLGAXWHJWFS-MNOVXSKESA-N 307.416 -0.610 50 20 DBGD CC1=NO[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1 831789806 FORIFIKHNMXQDE-MRVPVSSYSA-N 300.315 -0.177 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 843649392 UOERVYXDNCAQFO-ZJUUUORDSA-N 318.395 -0.084 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1C 843658190 FXMXIHBCSZJDDV-DTWKUNHWSA-N 309.322 -0.002 50 20 DBGD C[C@@H](NC(=S)NNC(=O)Cc1nc2ncccn2n1)C1CC1 855101747 BWWLJOVTMQVRCZ-MRVPVSSYSA-N 319.394 -0.039 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1ncc(Cl)cn1 857355971 QMKXMDOSAITONJ-UHFFFAOYSA-N 308.747 -0.366 50 20 DBGD CCO[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 858173890 ITSXCXFCKISHJA-ZJUUUORDSA-N 304.368 -0.616 50 20 DBGD COc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1C 863459811 SHXNROPZQSLVRH-UHFFFAOYSA-N 300.336 -0.191 50 20 DBGD COCCOCC(=O)NNC(=O)Cn1nc(C)c(Cl)c1C 869909009 FPCCPYJGIIIILS-UHFFFAOYSA-N 318.761 -0.036 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 873765968 SDLSLESZVSAQCU-RQJHMYQMSA-N 324.328 -0.018 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H]1OCCN(C)C1=O 900645930 UWYJYGXOCNQCBK-LLVKDONJSA-N 307.306 -0.687 50 20 DBGD COCCn1ccc(C(=O)NNc2ncnc3[nH]cnc23)n1 1116710801 NOYKVGJKJCFVCP-UHFFFAOYSA-N 302.298 -0.047 50 20 DBGD O=C(c1ccc(CN2CCOCC2)o1)N1CC[C@H](B(O)O)C1 1262159894 MSFPEXVSAWSGAO-NSHDSACASA-N 308.143 -0.199 50 20 DBGD COc1ccc(C(=O)NNC(=S)NCC(N)=O)cc1OC 1318211339 YRDMHTTWHYDNRK-UHFFFAOYSA-N 312.351 -0.702 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2nncn2c1 1318723321 VIGUMNALALPZGL-UHFFFAOYSA-N 318.337 -0.205 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CCOC1 1319172561 XCORPYJLCTVAGR-CQSZACIVSA-N 321.337 -0.223 50 20 DBGD CCn1cc(C(=O)C(=O)NNC(=S)NCCSC)cn1 1319961496 AVYIGPRSGGSRMB-UHFFFAOYSA-N 315.424 -0.056 50 20 DBGD CCc1nc(NC(=O)C(=O)NNC(=O)C(=O)OC)sc1C 1326719392 DQRIBNPOGQBEEY-UHFFFAOYSA-N 314.323 -0.727 50 20 DBGD N#CC1=CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1342030652 YZXFHUDMUYNSDB-OXHZDVMGSA-N 315.329 -0.169 50 20 DBGD C[C@H](C[S@@](C)=O)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1342301729 VILWAJREIZSCRH-GYNPQETDSA-N 311.429 -0.866 50 20 DBGD C[C@H](N)C[C@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1345781517 VQPHPSFLOBRTOB-IUCAKERBSA-N 308.342 -0.524 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@]1(C)C[C@H]1Br 1351153091 NLVIMAVEUQOZCM-MLUIRONXSA-N 308.132 -0.337 50 20 DBGD CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)[C@@H]1COCCO1)C(=O)C2 1548661626 MSIPLILDVWOUEX-FTGAXOIBSA-N 310.350 -0.055 50 20 DBGD NCCNC(=O)NNC(=O)CCN1CSCCSC1 1580311082 FMZYQOCWHANIQM-UHFFFAOYSA-N 307.445 -0.637 50 20 DBGD C=CCNC(=S)NNC(=O)c1cccn(CC(=O)O)c1=O 1602723118 NFZVXQLPSXQZEV-UHFFFAOYSA-N 310.335 -0.772 50 20 DBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNC(=O)NC(C)C 1605552934 ZPLYVAMSSAGEHE-UHFFFAOYSA-N 304.314 -0.077 50 20 DBGD Cc1c(C(=O)O)cc(CNC(=O)NNC(=O)c2cn[nH]c2)n1C 1607516110 YOGCZJCJAOPIBA-UHFFFAOYSA-N 320.309 -0.101 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)c1ccccn1 1608156378 NLNFFGWIFUDXGQ-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc(C(=O)O)c2)CC1 1610132128 DLPTXAUZLUUABT-UHFFFAOYSA-N 306.322 -0.013 50 20 DBGD O=C1COc2ccc(C(=O)NNC(=O)[C@@H]3CCCO3)cc2N1 42959981 FMTWILGPLCRECI-NSHDSACASA-N 305.290 -0.043 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)CCOc1ccccc1 61796119 IMFGZZYKLSNNBF-UHFFFAOYSA-N 308.338 -0.126 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCS1 268684764 MFUJXAZZKGKXCM-SNVBAGLBSA-N 308.363 -0.146 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F 270549492 ZOUGYQOWWSJXNZ-QMMMGPOBSA-N 312.301 -0.331 50 20 DBGD COCCS(=O)(=O)c1ccc(C(=O)NNC(C)=O)cc1 299538101 NVXTYUSZBLVCQB-UHFFFAOYSA-N 300.336 -0.112 50 20 DBGD O=C1N[C@@]2(C(=O)Nc3cccc(B(O)O)c3)C[C@H]3C[C@@H]1[C@H]2C3 584911665 LJGKYTCLOJCHRQ-DCDNZZDYSA-N 300.123 -0.780 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](c2nnc(O)o2)C1 584984616 BZEJDPWSWKSQHG-SNVBAGLBSA-N 317.110 -0.525 50 20 DBGD O=C(NCc1nc(C2CC2)n[nH]1)c1cc(B(O)O)ccc1F 584995111 IVUMATVFYVHJNH-UHFFFAOYSA-N 304.090 -0.569 50 20 DBGD CCCN1C[C@@H](CNC(=O)c2ccc(B(O)O)cc2)CC1=O 585001547 YRLFXZXDJRYTOW-LLVKDONJSA-N 304.155 -0.645 50 20 DBGD O=C1CC[C@@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)CN1 585054214 KATLROLMFRELSB-VIFPVBQESA-N 301.111 -0.515 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732259990 MZLDJUHJJYVWCN-CHWSQXEVSA-N 314.430 -0.027 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1cnn(C)c1 748636691 USZNEYLIXLRPOX-UWVGGRQHSA-N 313.358 -0.137 50 20 DBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)on1 753488312 UEAACFBQEYOKLR-UHFFFAOYSA-N 308.250 -0.533 50 20 DBGD CC(C)n1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n1 758035672 NALVNGJOSRHKRX-QMMMGPOBSA-N 317.371 -0.837 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 760344491 PDHGZBLAMZVWSO-UHFFFAOYSA-N 318.267 -0.585 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cccc(OCC(N)=O)c2)n[nH]1 768277828 XRSVOSSVAIHASL-UHFFFAOYSA-N 317.305 -0.343 50 20 DBGD O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)CO 777781586 BMJWFAVIVJNOQO-UHFFFAOYSA-N 315.329 -0.362 50 20 DBGD CNc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 794622053 VIAYXVKGDOUUIL-VIFPVBQESA-N 312.351 -0.681 50 20 DBGD C[C@@H](c1ccccc1)[C@H](NCC(=O)NNC(=O)C1CC1)C(N)=O 794722634 YVJYXNGZHZREES-HZMBPMFUSA-N 318.377 -0.209 50 20 DBGD CN(C)c1c(C=NNC(=O)NCC2CC2)c(=O)n(C)c(=O)n1C 807966589 OINTZJOLQNOELZ-UHFFFAOYSA-N 322.369 -0.807 50 20 DBGD CON(C)C(=O)CNC(=O)NNC(=O)CCOc1ccccc1 817793205 BEQCAESLLUJAFE-UHFFFAOYSA-N 324.337 -0.194 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)[C@]2(O)CCOC2)cc1 840464337 FEBPAWIPPVTARA-HNNXBMFYSA-N 308.334 -0.073 50 20 DBGD Cn1nc(C(=O)NNC(=O)C(C)(C)CO)c2ccccc2c1=O 847287297 BQPLDRKNRLZSAB-UHFFFAOYSA-N 318.333 -0.287 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1nnc2c1CCCC2 848236973 OWKVEYGOYJNCRI-UWVGGRQHSA-N 307.354 -0.271 50 20 DBGD CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855357053 YXZDHWPQUHXVSP-VIFPVBQESA-N 323.309 -0.343 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cccc3c2OCO3)N1 858150179 LJYWXFNFLHHFAY-SECBINFHSA-N 320.305 -0.476 50 20 DBGD CC(C)(C)C[C@@H](O)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858696023 HKBIKSFNRUBFHX-RKDXNWHRSA-N 300.359 -0.608 50 20 DBGD COC(=O)CCCc1nc(COc2ccc(B(O)O)cc2)no1 863865703 JWRIOBPDVFGXLA-UHFFFAOYSA-N 320.110 -0.176 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3C[C@@]34CCOC4)nc21 1116597420 HTBPQOZZXCLQFC-ISVAXAHUSA-N 304.310 -0.061 50 20 DBGD C[C@]1(CCCC(=O)NNc2ncncc2F)NC(=O)NC1=O 1117765983 HPIFPJXYHMXJNS-GFCCVEGCSA-N 310.289 -0.173 50 20 DBGD NC(=O)c1ccccc1CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118971723 ZWPXXJNYAYZDPD-LLVKDONJSA-N 318.333 -0.856 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2c[nH]c3ncccc23)cn1 1251914620 JAWPGYCILMEZJV-UHFFFAOYSA-N 320.334 -0.080 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cncc2ccccc12 1255508140 RWDGKLOWQIQXAO-UHFFFAOYSA-N 316.273 -0.506 50 20 DBGD O=C(NNC(=O)C1CCC1)NC1CCC2(CC1)NC(=O)NC2=O 1261099739 XVCQJJAHSUOBGU-UHFFFAOYSA-N 323.353 -0.362 50 20 DBGD COCCOC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1261453129 VVPWXVOAWVXGFL-GARJFASQSA-N 303.359 -0.207 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CC2 1261499310 HJYXEPMRKPSCJJ-IEBDPFPHSA-N 307.354 -0.279 50 20 DBGD CS(=O)(=O)CC1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1 1261832957 HEBVIBZUYMPRGV-UMJHXOGRSA-N 315.395 -0.028 50 20 DBGD CNC(=O)CCCNC(=O)NNc1nncc(N)c1Cl 1319291747 VYINFMBHCCNRMA-UHFFFAOYSA-N 301.738 -0.136 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1cccc[n+]1[O-] 1326382804 PUNLPYPFSQEWRK-UWVGGRQHSA-N 311.363 -0.016 50 20 DBGD Cc1nc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1C 1326485147 AEBUOQQKTRITOG-VXNVDRBHSA-N 302.356 -0.537 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CCC(=O)[C@H]1C 1326880202 XGGPAHNAZYZGBS-CIUDSAMLSA-N 319.383 -0.923 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1 1337652608 WYSPJEXDWGSZJZ-QWHCGFSZSA-N 308.382 -0.017 50 20 DBGD C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)CN3CCCC3=O)CN2C1 1520380384 KLWXZROQFNGWEI-UPJWGTAASA-N 322.409 -0.123 50 20 DBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@]2(CCNC2)O1 1576791653 RLZXVYCUHGUGFE-BMIGLBTASA-N 322.145 -0.902 50 20 DBGD C[C@H](NC(=O)[C@H](C)NC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)O 1599895445 ROBQNOASETXLEY-SIHYDZPCSA-N 319.321 -0.579 50 20 DBGD O=C(N[C@H](C(=O)O)c1ccsc1)c1ccc(B(O)O)cc1 1601404203 ANXAADKJQBXHMF-NSHDSACASA-N 305.120 -0.016 50 20 DBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)[C@H]1CCCO1 1606601972 VRFGYFVGVQMAKG-LLVKDONJSA-N 316.321 -0.264 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1609700834 DNKGGKCNSLTSLY-ZETCQYMHSA-N 314.319 -0.428 50 20 DBGD COCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 46866526 ITHLQOMIXYRXHR-UHFFFAOYSA-N 314.367 -0.304 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1ncccn1 48696271 ZXIFNUKRTKTZIW-MRVPVSSYSA-N 302.381 -0.160 50 20 DBGD COc1ccnc(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)n1 268438834 LFNAEJBFRUMPGK-YUMQZZPRSA-N 310.314 -0.856 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccccc1S(C)(=O)=O 274806550 LOMQOFFNUVJXQH-UHFFFAOYSA-N 314.367 -0.196 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1CCCC1=O 299495547 JJEQBISKVKWFSU-LBPRGKRZSA-N 324.381 -0.597 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1COCCN1CC1CCC1 584914161 QQPIJPRQLDZRKN-OAHLLOKOSA-N 318.182 -0.194 50 20 DBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(B(O)O)ccc1F 584937123 RAPFUNFBLZSPPT-RYUDHWBXSA-N 322.145 -0.902 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(Cc2ccon2)CC1 584950000 CFDLMECACRNHFC-UHFFFAOYSA-N 315.138 -0.688 50 20 DBGD C[C@H](C[S@](C)=O)N(C)C(=O)c1cc(B(O)O)ccc1F 584972713 FFXYJCPPLGSJLF-SQFXPLBJSA-N 301.148 -0.656 50 20 DBGD O=C(Cn1cc(NCc2ccc(B(O)O)o2)cn1)NC1CC1 585034749 TVOAREDNOWGHIO-UHFFFAOYSA-N 304.115 -0.953 50 20 DBGD Cc1sc2ncn(CCC(=O)NCB(O)O)c(=O)c2c1C 585061326 VWNGDEDPWSNURU-UHFFFAOYSA-N 309.156 -0.407 50 20 DBGD O=C(CN1CCC(NC(=O)C2CC2)CC1)NNC(=O)C1CC1 733194496 VQFMAFSTBLQMHV-UHFFFAOYSA-N 308.382 -0.466 50 20 DBGD Cn1nc(SCC(=O)NN=CC(C)(C)C)c(=O)n(C)c1=O 755619210 HQSCOBUHDNTCSU-UHFFFAOYSA-N 313.383 -0.281 50 20 DBGD Cn1cc(NC(=O)NNC(=O)CO)cc(Br)c1=O 757678441 NMGNYHSTLZLJIY-UHFFFAOYSA-N 319.115 -0.707 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C12CCC(CC1)C2 758042764 ARQYKRDYOQSGTH-YDNLMGDJSA-N 303.384 -0.348 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCNC(=O)C[C@@H]2C)cc1 761058390 XPKYSJQYCORNLF-LBPRGKRZSA-N 318.377 -0.034 50 20 DBGD CCCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CO 764422001 UOXUOANCJQXXFT-UHFFFAOYSA-N 313.285 -0.307 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 771858270 KMJNMWKFJBGBSI-BXKDBHETSA-N 319.317 -0.548 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)[C@@H]1CCCO1 776225186 CJLCPWRUEWTZFL-WOPDTQHZSA-N 313.354 -0.451 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2cnn(C)n2)cc1OC 785681574 DEJMHKAVQNHIPZ-UHFFFAOYSA-N 305.294 -0.093 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1OC(C)C 787549578 NIORZMZMTFSFSQ-UHFFFAOYSA-N 309.322 -0.140 50 20 DBGD CN(C)CCOCCNC(=O)NNC(=O)Cc1cccnc1 788016387 FRUAYSYPRLFQGQ-UHFFFAOYSA-N 309.370 -0.467 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cnn[nH]1 805604553 AYTOPDRELXAIGI-UHFFFAOYSA-N 317.305 -0.340 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)n1cnc(C#N)n1 807371606 MOERVUIYUWJZDF-SECBINFHSA-N 324.341 -0.353 50 20 DBGD CCNC(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 825476389 ILKFULQBHVSIKF-SECBINFHSA-N 305.298 -0.750 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 833779677 WSNWZPYWKXORRX-UWVGGRQHSA-N 321.399 -0.723 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21 841999668 HBVQWCUEIDSGAO-PJXYFTJBSA-N 308.313 -0.247 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 846388958 UKHDESFVQGEBKU-KHQFGBGNSA-N 321.293 -0.100 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)COc1ccccc1F 847286388 NVQNJCRDXCYQRJ-RKDXNWHRSA-N 309.297 -0.137 50 20 DBGD Cc1nn(CC(=O)NNc2cc(Cl)nc(N)n2)c(=O)n1C 847707426 VDFMUVTXUOHKJS-UHFFFAOYSA-N 312.721 -0.941 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCNC1=O 854292846 KAHCYEIXURIBPZ-VIFPVBQESA-N 301.306 -0.460 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 854388209 BCMGWZDJSJNBHP-JTQLQIEISA-N 315.370 -0.066 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C(=O)NCC1CC1 854388390 IWOCCIWNSQKFNT-UHFFFAOYSA-N 301.343 -0.551 50 20 DBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 861946035 JFGYNYBOOPYETF-SECBINFHSA-N 322.296 -0.501 50 20 DBGD CC(C)(C#N)CCS(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863413782 ZGCKZDJJXNQTOM-QMMMGPOBSA-N 302.356 -0.845 50 20 DBGD C[C@@]1(C(=O)NCCN2CCNC(=O)C2)C[C@H]1Br 907286398 QFVZUHGADMKASG-LDYMZIIASA-N 304.188 -0.292 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NN(C)C[C@H](C)O)cc1 910182458 IKGDBQDPCBDIKM-NSHDSACASA-N 315.395 -0.383 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 1320241677 WYSYSLLNYYDYEP-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC1 1327731085 ANXVEYXBXFINRW-UHFFFAOYSA-N 314.342 -0.863 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1343849446 OEOSQUQWFLMVIR-UHFFFAOYSA-N 308.342 -0.631 50 20 DBGD CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)NCCN 1575244263 TUJGDXSHICTNSQ-RKDXNWHRSA-N 300.359 -0.357 50 20 DBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)nc1O 1592449826 YZFYNHVDARJVBR-UHFFFAOYSA-N 314.269 -0.782 50 20 DBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)[C@H]2CCCCO2)n1 1600936583 XJHPAUHUUDAREA-MRVPVSSYSA-N 311.298 -0.160 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)[C@@H]2CSCC(=O)N2)cc1 1602129243 VIHGFQQNUYYYQV-JTQLQIEISA-N 309.347 -0.012 50 20 DBGD O=C1CC[C@@H](CC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CN1 1607041646 HZDHMKKGQXYONC-QMMMGPOBSA-N 316.325 -0.379 50 20 DBGD Cn1nccc1[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C(=O)O 1608163565 SRYVVGSTJDUSQU-SNVBAGLBSA-N 311.342 -0.671 50 20 DBGD O=C(O)c1cc2n(n1)CCC[C@H]2NCc1cccc(B(O)O)c1 1608867322 GFOWSXUVJAZDCJ-GFCCVEGCSA-N 315.138 -0.114 50 20 DBGD Cc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]c1C(=O)O 1776027738 BRSINGYUHHXUIW-QMMMGPOBSA-N 313.335 -0.094 50 20 DBGD O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1846195478 UWKBBTJHJVBAQQ-SNVBAGLBSA-N 302.689 -0.188 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O 55354665 ZYBHURCBMPEACY-SECBINFHSA-N 314.363 -0.182 50 20 DBGD C[C@H](CBr)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 133910833 LLRARLYBTQNHNK-RKDXNWHRSA-N 304.188 -0.340 50 20 DBGD CCN(CC(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 151970734 YLABDUFMFRGFID-UHFFFAOYSA-N 308.338 -0.359 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2ccccc2[N+](=O)[O-])C1=O 263686955 OVXYQOKUWYQOEX-UHFFFAOYSA-N 307.266 -0.068 50 20 DBGD O=C(NNS(=O)(=O)N1CCOCC1)c1ccccc1F 264973396 FCPYQJXHTCQBQW-UHFFFAOYSA-N 303.315 -0.363 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc(-n2cccn2)ccn1 265451658 DBHBXMQDGUDCDI-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccccc1OC 270451845 UYFZJGGXCWFZAW-UHFFFAOYSA-N 315.351 -0.605 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)c(C)c1 272467481 OVZDWFVFNRNGLH-UHFFFAOYSA-N 315.351 -0.031 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ncccc1C 276696444 MDTXUZJSOHHFTG-UHFFFAOYSA-N 301.372 -0.045 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1cccc(Cl)n1 292992280 KGWUIWYZIKDWOZ-UHFFFAOYSA-N 307.763 -0.090 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)NCC(=O)N(C)C)cc1 298681720 ZCEOODYHIQYREV-UHFFFAOYSA-N 308.338 -0.208 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 299154356 MEXCJDPTAXSTGP-NSHDSACASA-N 305.334 -0.137 50 20 DBGD CS[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1N(C)C 584967326 JEDGCNLMWOLWGB-QWHCGFSZSA-N 308.212 -0.516 50 20 DBGD Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584969086 JFMRKHKKVHAIDZ-GFCCVEGCSA-N 300.127 -0.528 50 20 DBGD CC(C)(NCc1ccc(B(O)O)o1)C(=O)NC1CCC(O)CC1 585033095 XIXDCGJRNUNYPC-UHFFFAOYSA-N 324.186 -0.753 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](B(O)O)C1 585066900 SQIKQQGBMWCJTR-RKDXNWHRSA-N 306.193 -0.974 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cccc(-c2nn[nH]n2)c1 738130227 OELUUGCDRTXCDK-JTQLQIEISA-N 318.293 -0.957 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 740852078 JNZHCNDKYUITDW-VIFPVBQESA-N 312.370 -0.693 50 20 DBGD CCOCCN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744397242 FMNASRFFLJEMOP-UHFFFAOYSA-N 314.430 -0.166 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1 754885096 XJEDJYWSEPKXGH-UHFFFAOYSA-N 310.266 -0.414 50 20 DBGD COCC(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 758030376 LASMLUOEEVEICL-UHFFFAOYSA-N 301.324 -0.669 50 20 DBGD C[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758056953 UREHRHUKTGZJQP-BBBLOLIVSA-N 305.400 -0.102 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H](CO)OC[C@H]2C)cc1 766942541 DIROLYWHYTWGMT-TZMCWYRMSA-N 321.377 -0.162 50 20 DBGD CCNC(=O)N(C)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 768413678 UXYJAFNMHGCYKC-JTQLQIEISA-N 310.358 -0.405 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NNC(=S)NCCSC 770240804 SDNHQPRNTSZJKH-SECBINFHSA-N 306.457 -0.435 50 20 DBGD CCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 782964988 CJOKZAGBWFMSHU-UHFFFAOYSA-N 318.333 -0.387 50 20 DBGD CN(C)N(C(=O)c1cnn2ncccc12)[C@@H]1CCS(=O)(=O)C1 792847757 ARZJLRBFQNQTOM-SNVBAGLBSA-N 323.378 -0.165 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)o2)n1 794077499 QEPNISOGRGRTCH-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD O=C(CN1CC[C@](F)(CO)C1)NNC(=O)c1ccc(F)cc1 802012042 HJHQQOIGVGGXSY-CQSZACIVSA-N 313.304 -0.007 50 20 DBGD O=C(CSc1n[nH]c(O)n1)NNC(=O)N=c1cc[nH]cc1 802031768 MFYXSYKSTBTYRT-UHFFFAOYSA-N 309.311 -0.728 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)NCC(=O)NCC#N)c1 807552591 DEEFOSHQYJCJOQ-UHFFFAOYSA-N 318.337 -0.664 50 20 DBGD CCNC(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 813424415 NHDWGMZZKDOEQX-UHFFFAOYSA-N 319.365 -0.315 50 20 DBGD Cc1cccnc1NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 834348435 MIJBNGUEGXFMSZ-SNVBAGLBSA-N 313.383 -0.251 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843650920 IROSQSUINMYOTM-BDAKNGLRSA-N 304.368 -0.145 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNc2ccncn2)C1 846722873 VXUPMXZUDNLBNJ-QMMMGPOBSA-N 300.344 -0.863 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)cc1OC 854233536 CYFKBGQLSKWVCF-VIFPVBQESA-N 307.306 -0.257 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NN(C)C(=S)NCCCOC 854280674 YNQXSZGJEXNTLV-SECBINFHSA-N 304.416 -0.225 50 20 DBGD COCCC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858360920 BHXOLNWCDMEYGZ-VIFPVBQESA-N 300.359 -0.342 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2nnc(C(F)F)s2)N1 860520138 QYBJPOBMKWZYJK-GSVOUGTGSA-N 320.281 -0.093 50 20 DBGD Cc1nc2ccc(NC(=O)NNC(=O)[C@@H]3CCC(=O)N3)cn2n1 861051955 CIPWZJQWHXYRJS-VIFPVBQESA-N 317.309 -0.531 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CS(C)(=O)=O 1116637988 IMNOETCSMPAMPJ-YUMQZZPRSA-N 308.356 -0.844 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)ncn1 1323945155 SWCNKMWHHIRWNN-UHFFFAOYSA-N 307.310 -0.239 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1 1327788361 ZAQPDBVTLOPMGS-SNVBAGLBSA-N 312.370 -0.103 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1327800755 BYXJJEHYVWVXHT-JTQLQIEISA-N 311.367 -0.573 50 20 DBGD Cn1cc(N2CC[C@H](NCc3cccc(B(O)O)c3)C2)cn1 1331060149 XNIYGJSMAIHWAH-AWEZNQCLSA-N 300.171 -0.532 50 20 DBGD O=C(NN=Cc1cnc2n1CCC2)N[C@@H]1CCS(=O)(=O)C1 1333699868 LZRFOYDORVTRQO-SECBINFHSA-N 311.367 -0.351 50 20 DBGD NC(=O)c1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cn1 1340126023 ZJDQNPIPADADCF-UHFFFAOYSA-N 319.243 -0.037 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1NCC12CCCC2 1580552236 HEHSTUFBRNKCCH-LBPRGKRZSA-N 320.349 -0.311 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1594712224 BUDUHOUJFPAETB-HRDYMLBCSA-N 300.311 -0.024 50 20 DBGD Cc1cc(NC(=O)C(=O)NNc2ncccn2)c(C(=O)O)[nH]1 1600249866 CFYDNSNPHHCXPQ-UHFFFAOYSA-N 304.266 -0.107 50 20 DBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847446426 BJQRCESVAIXVFX-UWVGGRQHSA-N 316.430 -0.650 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2 77220210 MYDPLTREXDINGQ-UHFFFAOYSA-N 309.370 -0.035 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCC(=O)N(C)C 266919428 VVHFBHXUQKPCBK-UHFFFAOYSA-N 314.386 -0.303 50 20 DBGD C=CCNC(=O)CNC(=O)NNC(=O)COCc1ccccc1 271977871 OKZNAKAEVNHLGE-UHFFFAOYSA-N 320.349 -0.164 50 20 DBGD CCN(C)C(=O)CNC(=O)NNC(=O)Cn1nc(C)cc1C 274884094 GJDDRWBFDXSWOD-UHFFFAOYSA-N 310.358 -0.691 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)[C@H]2CCO[C@H]21 361169629 NUFPWZRDZHJLOA-GMTAPVOTSA-N 324.381 -0.247 50 20 DBGD Cc1nnc2n1CCC[C@H]2NC(=O)c1ccc(B(O)O)cc1 584960391 KFBOGMXUCJNFMP-GFCCVEGCSA-N 300.127 -0.469 50 20 DBGD CC(=O)N1CC[C@@H](CN(C)C(=O)c2cccc(B(O)O)c2)C1 584967354 TZPQQDBHBBWXMN-LBPRGKRZSA-N 304.155 -0.693 50 20 DBGD C[C@@H]1CN(C)C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)O1 585052261 WOQJDJJBPQBTFG-BXKDBHETSA-N 303.127 -0.192 50 20 DBGD CC(C)[C@@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CNC(=O)C1 585055225 SXESCCZDCDOQDF-HNNXBMFYSA-N 315.138 -0.170 50 20 DBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cnn(C)c2)C1 739672696 ZSXBYRSKVVXPLI-AOOOYVTPSA-N 315.399 -0.123 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1COCCO1 744650809 NGPOTEIJEKDOTF-JTQLQIEISA-N 315.370 -0.508 50 20 DBGD O=C(CCCNC(=O)C1CC1)NNC(=O)C(=O)N1CCCC1 748240317 FTESFVKRMVEBJW-UHFFFAOYSA-N 310.354 -0.937 50 20 DBGD O=C(CO)NNC(=O)Nc1ccccc1CN1C(=O)CCC1=O 756223750 ZVVOGKNHQACNLO-UHFFFAOYSA-N 320.305 -0.519 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3C[C@]3(CO)C2)c1 782636138 WYQLRUYUUDGDSG-XJKSGUPXSA-N 314.345 -0.367 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cc(O)ccc1[N+](=O)[O-] 796849045 SRYHSXXPUQQSLB-JTQLQIEISA-N 311.250 -0.523 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)Nn2c(O)nnc2O)cc(C#N)n1C 820283213 UQHICKXQIVRAAA-YCRREMRBSA-N 313.277 -0.115 50 20 DBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826810034 SCDLLPDORYMWLO-VHSXEESVSA-N 321.399 -0.435 50 20 DBGD COC[C@@](C)(CC(=O)O)NCC(=O)NNC(=O)c1ccccc1 833721476 COFZFHSEZNEFBU-OAHLLOKOSA-N 323.349 -0.083 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1 843652396 AYTFHHWHPYCVAL-IONNQARKSA-N 314.367 -0.064 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 845084949 PHTOBEVGVRPPJV-NSHDSACASA-N 311.313 -0.280 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1 854682655 DJIZXRUHQMTTMB-IUCAKERBSA-N 307.372 -0.969 50 20 DBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)c1cccc(F)n1 856421854 IFBDLFBHYVJCFK-UHFFFAOYSA-N 303.315 -0.195 50 20 DBGD CC(C)(C)OCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858610948 KWGSHWCKNNIBEJ-VIFPVBQESA-N 300.359 -0.199 50 20 DBGD CN(C)CCn1nccc1NC(=O)NNC(=O)c1cn[nH]c1 861146973 KEVXYMWSOAALOV-UHFFFAOYSA-N 306.330 -0.366 50 20 DBGD O=C(Cc1ccc2c(c1)OCO2)NNC(=O)[C@H]1CCC(=O)N1 862451700 FZXZERZKXWSGLI-SECBINFHSA-N 305.290 -0.616 50 20 DBGD CC(C)Nc1ncccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453855 AAXPUSQWKLWBKF-SNVBAGLBSA-N 305.338 -0.059 50 20 DBGD O=C(C[C@@H]1CSCCS1)NNC(=O)[C@@H]1CCC(=O)N1 862457832 RTMXEDSFTPHGPM-SFYZADRCSA-N 303.409 -0.349 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 910170351 KJIQRYGQZPBNMD-IUCAKERBSA-N 321.424 -0.241 50 20 DBGD C[C@]1(CNS(=O)(=O)N2CCNCC2)C[C@@H]1Br 923657777 AAJYMPCXFGWZON-DTWKUNHWSA-N 312.233 -0.101 50 20 DBGD Cc1c(C(=O)NNC(=O)CNC(=O)c2ccco2)cnn1C 1115940470 IKPNYMJHUFETIC-UHFFFAOYSA-N 305.294 -0.487 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(-c2ncco2)cc1 1116599758 GNTANMSLKXDSDH-UHFFFAOYSA-N 318.289 -0.190 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CNC(=O)OC(C)(C)C 1255031476 RNFMXGCDOMEAHI-SSDOTTSWSA-N 318.330 -0.597 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CC2(Cl)Cl)N1 1261787401 OGIUZBYPQNTUFZ-PHDIDXHHSA-N 309.153 -0.211 50 20 DBGD CCO/C=C(\C#N)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1319671912 OVRHFEBMJSOIQS-OYVNLZQHSA-N 301.368 -0.172 50 20 DBGD COc1ccc(NC(=O)C(=O)NNc2ncccn2)c(OC)n1 1320690353 FEVCUEXGFYTFTP-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD CN1C(=O)COc2ccc(NC(=O)NNC(=O)CCO)cc21 1321215174 NZSIFSHUJZKPQG-UHFFFAOYSA-N 308.294 -0.423 50 20 DBGD O=C(CCO)NNC(=O)Nc1ccc(N2CCOCC2)cn1 1321241139 AOUYPNDUVRUKIK-UHFFFAOYSA-N 309.326 -0.547 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1F 1321668346 XDDLUYVFHKZKHV-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1nc(-c2ccco2)cs1 1324845123 IRBHMIVGPMQDSL-UHFFFAOYSA-N 310.291 -0.519 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nc2ncccn2n1 1326297831 DHLZUEMWKQOJME-BDAKNGLRSA-N 319.325 -0.620 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2c[nH]nc12 1329397491 LNGRALXVLMILKJ-QMMMGPOBSA-N 309.351 -0.049 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(NS(C)(=O)=O)nc1 1348123727 URVBSYLWJSFNEU-UHFFFAOYSA-N 315.355 -0.193 50 20 DBGD NCCCC(=O)NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1580289087 LAQANCKLGLAYNM-BONVTDFDSA-N 302.334 -0.217 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1cccc2ncccc12 1610784269 ZCONKRQZQMALRK-UHFFFAOYSA-N 324.318 -0.188 50 20 DBGD COC(=O)NNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 48652856 ZDGIMLLHFLQGSW-UHFFFAOYSA-N 301.324 -0.062 50 20 DBGD CNC(=O)NNC(=O)CSCC(=O)Nc1cc(C)on1 56377005 CBLCHAONGXGRDB-UHFFFAOYSA-N 301.328 -0.385 50 20 DBGD CC(C)NC(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 63269146 SCIZJZVPDUBXDW-UHFFFAOYSA-N 303.326 -0.056 50 20 DBGD Cc1cc(CN2CCN(CC(=O)NNC(=O)C3CC3)CC2)no1 112975992 AAAOMCGPYZYADD-UHFFFAOYSA-N 321.381 -0.342 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)n(C)n1 174153657 IWJSJGJIRFZLBX-UHFFFAOYSA-N 307.354 -0.073 50 20 DBGD Cn1c(NNC(=O)[C@H]2CNCCO2)nc2ccccc2c1=O 187256758 VHMOEKAWQPTGRG-LLVKDONJSA-N 303.322 -0.635 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H](C)N2CCN(C)CC2)nc1 270410705 ZUAGPIIYCAMEFW-NSHDSACASA-N 321.381 -0.053 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)o1 272644713 MASRZNYGFUBYQS-GZMMTYOYSA-N 309.322 -0.375 50 20 DBGD CS(=O)(=O)N1CCN(CC(=O)NNc2ccncc2)CC1 273014365 QNMPBCWMLLNVNO-UHFFFAOYSA-N 313.383 -0.898 50 20 DBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1 276946331 QZLUFNWEGWHNLH-SNVBAGLBSA-N 307.354 -0.179 50 20 DBGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)C1CC1 277123258 NWBBMMUIRUAXCI-INIZCTEOSA-N 317.345 -0.049 50 20 DBGD O=C(CSc1ccccc1O)NNS(=O)(=O)C1COC1 277135242 ZDUAVPOHYMJOOW-UHFFFAOYSA-N 318.376 -0.166 50 20 DBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)C(C)(C)O)cc1 278027503 UHSWDCWDIKIAEL-UHFFFAOYSA-N 323.349 -0.267 50 20 DBGD COc1cccc(NNC(=O)NCCS(=O)(=O)N(C)C)n1 291044885 UZJYYHWHYIXCPL-UHFFFAOYSA-N 317.371 -0.392 50 20 DBGD NC(=O)C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 367987840 HTFCENKFLYCZLH-JTQLQIEISA-N 322.340 -0.216 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(Cn2ccnn2)CC1 584964511 FVKKFSCEDMWPHO-UHFFFAOYSA-N 314.154 -0.490 50 20 DBGD CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584965260 ORRQAKBDOGEWBP-LBPRGKRZSA-N 308.118 -0.754 50 20 DBGD C=CCN1CC[C@H](N(C)C(=O)c2cc(B(O)O)ccc2F)C1=O 584986335 WGBSDZGGEXQABR-ZDUSSCGKSA-N 320.129 -0.636 50 20 DBGD OB(O)c1cccc(-c2noc(COC[C@@H]3CCOC3)n2)c1 585053758 PQZXAHLYOATUFV-SNVBAGLBSA-N 304.111 -0.031 50 20 DBGD Cn1nccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 727350163 RPJOCSGPQSYVLR-UHFFFAOYSA-N 324.318 -0.228 50 20 DBGD O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)c1cnn[nH]1 739256502 XLAOXOMRPYCZJO-UHFFFAOYSA-N 303.278 -0.103 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)o1 752522887 IHBLLGNRQOFSKG-UHFFFAOYSA-N 306.278 -0.940 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cn1 762743193 OIMIGLFTXHKYGQ-UHFFFAOYSA-N 312.351 -0.320 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1cc(C(N)=O)c2ccccc21 768247739 MUPYDNSBDDGQBA-UHFFFAOYSA-N 318.333 -0.342 50 20 DBGD C[C@](O)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCC1 813419754 BDYLCPOVTDQQGI-JOYOIKCWSA-N 319.383 -0.945 50 20 DBGD CCCNC(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815123104 WPJHJUGTQMXCEO-AOOOYVTPSA-N 308.338 -0.322 50 20 DBGD CCC1(Cn2cc(C(=O)NNC(=O)C(C)(C)O)nn2)COC1 832750048 SOFFECSDFATZQW-UHFFFAOYSA-N 311.342 -0.763 50 20 DBGD CC1=C(C(=O)NNC(=O)NC2CC2)[C@@H](C)n2nnnc2N1C 847392536 ZAAMNODTQDZDOO-SSDOTTSWSA-N 306.330 -0.549 50 20 DBGD COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)CCl)C1 849389171 FTXGSUMPRBJDCB-UWVGGRQHSA-N 301.792 -0.142 50 20 DBGD C[C@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@@H]1Br 857734585 UKBOVFHSYUYFAR-JFWOZONXSA-N 304.144 -0.126 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@H](C2CC2)O1 858699260 NFPMSPBARZXCBB-DVVUODLYSA-N 310.354 -0.495 50 20 DBGD C[S@](=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 860637086 LCJDJIFHTMETFZ-STFLBKPXSA-N 324.362 -0.145 50 20 DBGD COCCN(CCC(=O)OC)C(=O)c1ccc(B(O)O)cc1 865838300 HCMJKOTVYDCMIM-UHFFFAOYSA-N 309.127 -0.982 50 20 DBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1 898084050 GRKCREXWMMMNAH-MXWKQRLJSA-N 301.343 -0.310 50 20 DBGD C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)c1cc(B(O)O)ccc1F 912004115 RLANQCMGIIBATF-KXUCPTDWSA-N 322.145 -0.415 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cnc2n1CCCCC2 913734659 WRSRARFVBSDZTB-UHFFFAOYSA-N 319.365 -0.007 50 20 DBGD CNC(=O)NN=Cc1cc(OC)c(OCC(N)=O)c(OC)c1 920377101 JYQGJNRUQKEQBE-UHFFFAOYSA-N 310.310 -0.169 50 20 DBGD C[C@H](OCc1ccncc1)C(=O)NNC(=O)N1CCN(C)CC1 1118970260 JOGYWRFGHLAQFR-LBPRGKRZSA-N 321.381 -0.025 50 20 DBGD CCOC(=O)/C(C#N)=C\NNC(=O)[C@H]1CCS(=O)(=O)C1 1321414513 GWNJNUNPRAWANN-HWPCKVLBSA-N 301.324 -0.988 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 1324306181 RIXRJBSNEIVMSL-JOYOIKCWSA-N 319.383 -0.681 50 20 DBGD O=C(NNC(=O)N1CCC[C@@H](n2ccnn2)C1)c1ncccn1 1329181074 YEUVMHVJWNRJCL-SNVBAGLBSA-N 316.325 -0.240 50 20 DBGD O=C(NNC(=O)N1CCN([C@@H]2CCOC2)CC1)c1cccnn1 1336946337 HKNMKOAFXPZFBN-LLVKDONJSA-N 320.353 -0.763 50 20 DBGD O=C(NCC(F)F)C(=O)NNc1nc(-c2cccnc2)no1 1339158387 WZSXISRHQLXDOW-UHFFFAOYSA-N 312.236 -0.044 50 20 DBGD C[C@H](C(=O)NNc1ncccc1F)n1cnc(-c2nn[nH]n2)n1 1588998679 DAMGHAVZIGAXAG-ZCFIWIBFSA-N 318.276 -0.303 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 1590001598 YYCSBIDSEFCMQM-VHSXEESVSA-N 320.353 -0.022 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)[C@H]2COCCO2)c(C)c1C(=O)O 1599953837 MWKFIZBWHAEGDX-MRVPVSSYSA-N 311.294 -0.494 50 20 DBGD O=C(N[C@]1(C(=O)O)CCSC1)c1cc(B(O)O)ccc1F 1601431724 OBAPOTGWIZAIFQ-GFCCVEGCSA-N 313.115 -0.804 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)cc1F 1603896997 VBSDWSHJPZWVQJ-UHFFFAOYSA-N 311.269 -0.191 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(=O)O)n(C)c1 1604359851 XYNJOWCODOHYAO-SSDOTTSWSA-N 316.339 -0.889 50 20 DBGD COC1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 1605014185 QJLGPUKJXXLQTB-UHFFFAOYSA-N 302.294 -0.193 50 20 DBGD CN(C)[C@H](CNC(=O)NNC(=O)C(=O)O)c1cccs1 1606012291 RXUPSJWTRKAPSG-SSDOTTSWSA-N 300.340 -0.234 50 20 DBGD O=C(O)Cc1csc(NC(=O)c2cccc(B(O)O)c2)n1 1608793044 PLSRVMGRBAJSKJ-UHFFFAOYSA-N 306.108 -0.298 50 20 DBGD CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1795759693 PSIBSOAMRLOTJF-QDMKHBRRSA-N 316.166 -0.362 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)COc1ccc(C#N)cc1 61188498 BAWJTQULGRWUFW-UHFFFAOYSA-N 320.305 -0.217 50 20 DBGD COC(=O)CN(CC(=O)OC)S(=O)(=O)CBr 127440066 UGRGQQWIHDHFSW-UHFFFAOYSA-N 318.145 -0.683 50 20 DBGD O=C1NC[C@H]2CN(CCI)CCN2C1=O 190942518 LLICOZUMQFZQAK-ZETCQYMHSA-N 323.134 -0.936 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(C)=O 265852230 DNDKOOLRVORLGS-LLVKDONJSA-N 312.370 -0.551 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(C#N)cs1 273541785 XCDQYOBDASHQCL-LURJTMIESA-N 316.364 -0.682 50 20 DBGD O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1CCCO1 294642876 MHRDHMCWLCYWOG-NSHDSACASA-N 309.297 -0.118 50 20 DBGD C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccc(F)cc1 298093179 KXENSCMISBAAQL-VIFPVBQESA-N 308.313 -0.593 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)OC(C)(C)C 495084289 FGZDYLIAIQDIGI-VXNVDRBHSA-N 301.343 -0.182 50 20 DBGD CC(C)N1CCC(O)(CNC(=O)c2ccc(B(O)O)cc2)CC1 584963232 WMZPZFKJIKUFST-UHFFFAOYSA-N 320.198 -0.669 50 20 DBGD C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(B(O)O)cc1 584982853 MYVOWGHLIRKZGM-JTQLQIEISA-N 311.168 -0.984 50 20 DBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O 729625620 ALWJEOYIODWOJX-STQMWFEESA-N 322.409 -0.123 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ncccn1 742520739 CYQIAYOHXJSZPW-HZQMYPQZSA-N 317.305 -0.918 50 20 DBGD CC1(OCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 746137441 CIGXTLZSOFFDAT-SECBINFHSA-N 319.383 -0.537 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-n2cccn2)nc1 755274622 BHELYVCJMJRBCX-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)N=c1nc[nH]n1C 757760133 FLYSNXJBBDEBBZ-UHFFFAOYSA-N 304.310 -0.359 50 20 DBGD CCN1C[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1=O 758829700 HCDRAZIFHPJGLS-SECBINFHSA-N 319.321 -0.964 50 20 DBGD CN(NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)C(N)=O 770436331 FYYKPUZZUHGRQO-UHFFFAOYSA-N 307.335 -0.123 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778670905 VHWPTHRHEWQFLU-OAQYLSRUSA-N 322.387 -0.780 50 20 DBGD CN1CC[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1=O 804958912 RUVURFGUOKYMRR-VIFPVBQESA-N 301.310 -0.416 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCC23OCCO3)CC1 807383668 IINCUMSQNQGVRR-LLVKDONJSA-N 312.370 -0.482 50 20 DBGD Cn1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)nn1 808662104 KRFDPXNVNHUJAR-UHFFFAOYSA-N 309.307 -0.505 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 826045955 FFRGCVUSDXTQSB-GRYCIOLGSA-N 314.386 -0.538 50 20 DBGD COc1cc(F)cc(NNC(=O)[C@H]2CCS(=O)(=O)N2)c1 845858151 GHQNVTHJIXOTEN-SNVBAGLBSA-N 303.315 -0.031 50 20 DBGD CO[C@@]1(C)C[C@H]1NC(=O)NNC(=O)CNC(=O)c1ccco1 852037683 XRDBASXCDIVEPD-RNCFNFMXSA-N 310.310 -0.483 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)[C@H]2CCCC[C@@H]2N1 854292021 VYEAWOIOUGGFDR-VWYCJHECSA-N 322.365 -0.893 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1ncc(Cl)cn1 856860566 INEUHFIXFFOXIY-UHFFFAOYSA-N 322.778 -0.305 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 858571663 JCPIXARYMQAGST-HLTSFMKQSA-N 302.331 -0.850 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCOC(=O)N1 859269819 HHOOHBKXNRSTRR-QMMMGPOBSA-N 309.278 -0.583 50 20 DBGD CCOc1cccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862460022 YTPIQWNRWAQACM-SNVBAGLBSA-N 306.322 -0.551 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cn[nH]c1 862473439 QVHIJNVVNPJNDT-SNVBAGLBSA-N 305.338 -0.181 50 20 DBGD CC[C@H](C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863871395 LRHCNYPBGYBWPL-UFBFGSQYSA-N 311.118 -0.177 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)[C@H]2CCCCO2)cn1 868619500 NZYRBNWWWZGPNN-GFCCVEGCSA-N 309.370 -0.225 50 20 DBGD O=C(CN1CCCNC1=O)NNC(=O)c1ccc2c(c1)OCO2 915260020 VXLUVDMQTUPDCV-UHFFFAOYSA-N 320.305 -0.408 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)CN2CCCNC2=O)c1 915260058 ZPUMWGBNBOTLDZ-UHFFFAOYSA-N 320.349 -0.063 50 20 DBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNc1ncccn1 916622287 GDHSUKOKSPUFSA-UHFFFAOYSA-N 316.387 -0.179 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1=O 1255111274 RLHNPFPBZGTHDY-VIFPVBQESA-N 305.338 -0.472 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCO[C@@H]1CN 1261643309 OHDFDSGIEPXKNZ-GXSJLCMTSA-N 313.379 -0.103 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNC(=O)c1cc2c(s1)CCC2 1317982235 PRHHQRFYQBNQHT-UHFFFAOYSA-N 322.346 -0.450 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)N1CCC(C)CC1 1318942045 MXPYQUWQDFJLEU-JTQLQIEISA-N 300.359 -0.390 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccccc1S(C)(=O)=O 1319210155 ZECMSGWXYONYHY-UHFFFAOYSA-N 321.380 -0.918 50 20 DBGD COC(=O)NNC(=O)C1CCN(c2ccc3nncn3n2)CC1 1320258800 GUAMELVZYPNDKS-UHFFFAOYSA-N 319.325 -0.272 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1n[nH]c2c1CCC2 1321816570 MYLBBFFFHZBHQD-ZETCQYMHSA-N 312.351 -0.906 50 20 DBGD COCc1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)s1 1322059105 GFCYBGSIKSVMLM-UHFFFAOYSA-N 312.351 -0.327 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1C[C@H]2CCCCN2C1=O 1329752254 CKIIADCCQSUYSN-NXEZZACHSA-N 306.326 -0.493 50 20 DBGD CONC(=O)C1CCN(CC(=O)NNC(=O)C(C)C)CC1 1330723151 OOZSMNZUJIPLRL-UHFFFAOYSA-N 300.359 -0.821 50 20 DBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)S(=O)(=O)C1CCOCC1 1332469691 MKPLIGXHZKOSAS-ZJUUUORDSA-N 308.400 -0.688 50 20 DBGD CC(C)NC(=S)NNC(=O)CCCCCS(N)(=O)=O 1346142161 QWKUBCAUIJQVAJ-UHFFFAOYSA-N 310.445 -0.261 50 20 DBGD Nc1nc(C(=O)NNc2ccccn2)nc(N2CCOCC2)n1 1346195104 RHZQMXCIVYNBAK-UHFFFAOYSA-N 316.325 -0.558 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)nc1 1351700418 RPGMDVSPRYVTSY-CMPLNLGQSA-N 319.365 -0.300 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1cc(Cl)nc(N)n1 1528095716 ZKYMSUSIJYVMDQ-YUMQZZPRSA-N 311.777 -0.456 50 20 DBGD CCNC(=S)NNC(=O)COc1ccccc1-c1nn[nH]n1 1590745721 OOLTWFZBUKKAPT-UHFFFAOYSA-N 321.366 -0.239 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1F 1597111171 CDHSFGOOANJGOM-UHFFFAOYSA-N 313.241 -0.605 50 20 DBGD O=C(Cc1cccc(C(=O)O)c1)NNC(=O)[C@@H]1CCC(=O)N1 1601364900 UBSFSXNEIDKMGE-JTQLQIEISA-N 305.290 -0.647 50 20 DBGD O=C(O)Cn1cccc1C=NNC(=O)Cc1cc(O)nc(O)n1 1602166315 MUKHCRVJXIHOPT-UHFFFAOYSA-N 319.277 -0.533 50 20 DBGD O=C(O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)cc([N+](=O)[O-])c1 1608835127 UOXYLJRCCADUQY-SECBINFHSA-N 308.055 -0.018 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)NC(C)C 8390286 CFWDTPILOKELFF-UHFFFAOYSA-N 309.322 -0.254 50 20 DBGD CN(CCNC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 45304378 YOFNZCIHPYJBJY-UHFFFAOYSA-N 319.365 -0.268 50 20 DBGD C[C@]1(c2ccc(C(=O)NNC(=O)C3CC3)cc2)NC(=O)NC1=O 267080462 QPUWZIYJXWYBET-OAHLLOKOSA-N 316.317 -0.088 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 267490629 JVAVBUWOXGCRAB-NSHDSACASA-N 301.306 -0.267 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)n1 268441466 KOURGTSUOYQHRJ-IUCAKERBSA-N 324.341 -0.547 50 20 DBGD O=C1CCC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)N1 270189491 BUHMKCJXYVMBGC-SKDRFNHKSA-N 319.317 -0.358 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)N1CCc2ccc(C#N)cc21 274103264 XGXXHNUYUDDJPA-UHFFFAOYSA-N 315.333 -0.844 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CC(c2cccnc2)=NO1 276570691 DVIVOHZQCAHXRO-LBPRGKRZSA-N 319.321 -0.352 50 20 DBGD CCOc1nc(C)ccc1C(=O)NNC(=O)C(=O)NC1CC1 276625618 LJBZLDUWDVIONS-UHFFFAOYSA-N 306.322 -0.172 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c1 276668128 UNHWSVUVUMCLDA-VXGBXAGGSA-N 321.333 -0.446 50 20 DBGD C=C(CBr)CN1CCN2C(=O)C(=O)NC[C@H]2C1 279690472 HWCKYHUPVGOJDU-VIFPVBQESA-N 302.172 -0.420 50 20 DBGD O=C(NNC(=O)c1ccc2cncn2c1)C(=O)N1CCCC1 284049044 UGLMDMNDLFONDD-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 292246694 CZPKIOVYOLPDGD-UHFFFAOYSA-N 309.282 -0.325 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(CCO)CCCO 299275889 MOZOODGQILYJIX-UHFFFAOYSA-N 323.393 -0.638 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)c1cn([C@H]2CCOC2)nn1 584914190 RNONLBVRBKGPKY-NSHDSACASA-N 302.099 -0.828 50 20 DBGD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584947409 PEBBDKYCAUDHDR-TZMCWYRMSA-N 318.182 -0.257 50 20 DBGD NC(=O)C[C@@H](NC(=O)c1cccc(B(O)O)c1)C1CCCCC1 584956621 DYZCUQSDCHIJGK-CQSZACIVSA-N 318.182 -0.080 50 20 DBGD Cc1cncn1CCCNC(=O)c1cc(B(O)O)ccc1F 584965166 OSOKOUGAWDFDGP-UHFFFAOYSA-N 305.118 -0.169 50 20 DBGD COCC1(C#N)CCN(C(=O)c2cccc(B(O)O)c2)CC1 584987181 IXNWSPJAHBVYAQ-UHFFFAOYSA-N 302.139 -0.241 50 20 DBGD CCn1nc(C)c(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1C 585058466 GHCVZMNZBIEZEV-JTQLQIEISA-N 301.177 -0.243 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)NC(=O)c1ccco1 726613196 CXJHIALHUCPOSE-QMMMGPOBSA-N 310.310 -0.930 50 20 DBGD CC(C)C(=O)NNC(=O)NCCS(=O)(=O)NCC1CCC1 731685876 JPIBQGNLOLZYDA-UHFFFAOYSA-N 320.415 -0.308 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 732046332 HWDUZPMXWGKTGF-UHFFFAOYSA-N 306.300 -0.556 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1ccc[nH]1 746103610 QLHRNEPKMZXTGV-UHFFFAOYSA-N 302.356 -0.553 50 20 DBGD O=C(CNC(=O)C1CC1)NNC(=O)Cc1cn2ccccc2n1 746638071 WWGLMXVPEUFDCW-UHFFFAOYSA-N 315.333 -0.450 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)c1ccc2c(c1)OCCO2 750014724 FEADIZPKEPCIGG-UHFFFAOYSA-N 317.305 -0.030 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)o1 752779532 MBECGMZKTIIDFO-VIFPVBQESA-N 315.351 -0.227 50 20 DBGD Cc1nnccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 753398175 WMDQQCARDACNBL-UHFFFAOYSA-N 324.304 -0.164 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)Cc1cn2ccccc2n1 755019939 CEXLMFAGPBABNV-CQSZACIVSA-N 306.322 -0.578 50 20 DBGD C[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)CBr)CC1 758536401 VBDMCMAAQFAUIH-QMMMGPOBSA-N 324.200 -0.028 50 20 DBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 774777653 YORHHNKLXSAHJG-MNOVXSKESA-N 314.386 -0.001 50 20 DBGD CCN1CCN(CCNS(=O)(=O)CBr)CC1 788676771 OXPBMHLBHGBJGL-UHFFFAOYSA-N 314.249 -0.104 50 20 DBGD CN1CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1=O 804958911 RUVURFGUOKYMRR-SECBINFHSA-N 301.310 -0.416 50 20 DBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 814551884 XZPMYWOZWZMVEH-LLVKDONJSA-N 303.274 -0.591 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)NC(=O)N1 816807062 WBJAKOVUWBCCJC-QMMMGPOBSA-N 310.697 -0.301 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccc1F 816814296 NEHJPYFTOGBSIF-QMMMGPOBSA-N 317.342 -0.086 50 20 DBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)c1ncccn1 823683440 XAWPBPWODVTBIV-UHFFFAOYSA-N 307.354 -0.404 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 825846127 SBFODGIONZAVRW-SECBINFHSA-N 305.298 -0.798 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC(=O)N[C@H](C)C2)c1 831762899 JBGRMGOYDMHCBR-LLVKDONJSA-N 304.350 -0.424 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 843970242 CNJDPBBWBKAQKG-HTRCEHHLSA-N 305.294 -0.151 50 20 DBGD CNc1nccc(C(=O)NNC(=O)N2CCOCC2)c1[N+](=O)[O-] 847402437 DQZDQCLJJLXBIS-UHFFFAOYSA-N 324.297 -0.282 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(C)=O)c1 847502827 BOUXUDVPIYTUTP-UHFFFAOYSA-N 307.306 -0.070 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NCC3(N)CCCC3)nc21 851672046 YVFKUZSCOOOLEN-UHFFFAOYSA-N 320.357 -0.034 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)C1(n2cnnn2)CC1 854238136 PYMBOOYDKYVRJP-UHFFFAOYSA-N 304.285 -0.309 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)c1cncc(NC(C)=O)c1 857158255 NCVRQZGLBWZBTF-LLVKDONJSA-N 310.310 -0.538 50 20 DBGD Cc1nc2cc(O)nn2c(C)c1CC(=O)NNc1cnnn1C 857271732 XCUVPANFSPBLKQ-UHFFFAOYSA-N 316.325 -0.134 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 858133015 OPNCNDBFUHZIRL-JTQLQIEISA-N 324.312 -0.057 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)N1 862449908 LWOFRMGWODBTEH-ONGXEEELSA-N 322.365 -0.797 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452470 LMCBKLHDDDPKGW-NXEZZACHSA-N 310.354 -0.797 50 20 DBGD O=C(NNC(=O)[C@]1(C2CCCC2)CCNC1=O)c1cn[nH]c1 862467496 XDEMOLLGAAAQNY-AWEZNQCLSA-N 305.338 -0.133 50 20 DBGD C[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)C[C@H]1Br 906470651 NNFGCONJQRQCFL-HQJQHLMTSA-N 318.171 -0.070 50 20 DBGD CN(C)C(=O)NC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 908779716 UCTROUPWYZEHLI-UHFFFAOYSA-N 319.170 -0.758 50 20 DBGD Cn1nc(C(=O)NNC(=O)CN2CCCC2=O)c2c1CCCC2 913733564 NGBVLKVMZCUHGS-UHFFFAOYSA-N 319.365 -0.318 50 20 DBGD O=C(NNC(=O)c1ccn(-c2ccccc2)n1)C(=O)NC1CC1 915064198 UTMKAHPXOAAJPY-UHFFFAOYSA-N 313.317 -0.088 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)c1cn(C)c(=O)nc1O 916146327 ABGUIKZVSTWUQC-UHFFFAOYSA-N 302.290 -0.131 50 20 DBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 920773311 MXTMJSKPQCGKCQ-PSASIEDQSA-N 304.368 -0.616 50 20 DBGD CCNC(=O)NNC(=O)CCNS(=O)(=O)c1cccnc1 920858433 JSZFCOAQQQAGHV-UHFFFAOYSA-N 315.355 -0.900 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1nc2ncccn2n1 1261497964 PQOBMCHXAMQFTD-DTWKUNHWSA-N 304.310 -0.761 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F 1320521451 XDZNDAOJHWHJHI-UHFFFAOYSA-N 305.212 -0.428 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNC(=O)C2CC2)CC1 1326775908 BDIGETXLVCJCIW-UHFFFAOYSA-N 303.384 -0.395 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cnn(C)c1N 1328086073 JMZYPGHXQCMMIX-UHFFFAOYSA-N 300.388 -0.510 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1=CCN(C)CC1 1331297721 QARWWRQTBPSERJ-ONGXEEELSA-N 309.370 -0.754 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=S)Nc1ccccn1 1332527732 NLXHMCAEVJGCLI-UHFFFAOYSA-N 311.367 -0.496 50 20 DBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)c1n[nH]c2c1CCCC2 1333782736 DUKWJBIBDJZHBW-MRVPVSSYSA-N 305.338 -0.282 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1c1ccncc1)C(=O)N1CCCC1 1351101338 OTZBYNFDPVOJFD-NWDGAFQWSA-N 302.334 -0.045 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccnc2ccnn12 1351465722 IOFYEURSGNZKAL-UHFFFAOYSA-N 318.337 -0.205 50 20 DBGD CCOCCOCCCC(=O)NNC(=O)[C@H]1CCCNC1 1578117885 RGLGLMGBRRRTEX-LBPRGKRZSA-N 301.387 -0.033 50 20 DBGD NCCC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 1580281531 CTLVOWZTSAGOSK-VIFPVBQESA-N 308.313 -0.325 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1ccc(-n2cnnn2)cc1 1594779253 OHORTBNXRVASJG-UHFFFAOYSA-N 316.277 -0.712 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)c1cc(-c2nn[nH]n2)c[nH]1 1606851746 LMRBPTVVRNFTAT-MRVPVSSYSA-N 307.339 -0.149 50 20 DBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2COCCO2)c1 1611506523 HPRSUSVYFAQJJJ-NSHDSACASA-N 323.305 -0.118 50 20 DBGD O=C(Cc1ccc2c(c1)CCO2)NNC(=O)C(=O)NC1CC1 11683658 SPCZSLQKDMIPNN-UHFFFAOYSA-N 303.318 -0.410 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)Cc1cc(C)n[nH]1 17514302 CKJNZZAEEPNEGS-UHFFFAOYSA-N 313.383 -0.291 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 45800777 ONGYBACGLBIKNS-UHFFFAOYSA-N 323.352 -0.727 50 20 DBGD O=C(CN1CCC[C@H](O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 48615467 RWGKJPCJMSLUGD-LBPRGKRZSA-N 322.321 -0.188 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)Cn1nc(C)cc1C 64771330 YVKSNYJQBZPDJJ-UHFFFAOYSA-N 324.385 -0.301 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc3c2oc(=O)n3C)cn1 122183394 GNCYPCPWJFYXAE-UHFFFAOYSA-N 315.289 -0.060 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnc3c(c2)nnn3C)[nH]n1 183577003 GPODLZZBFFJZTP-UHFFFAOYSA-N 300.282 -0.530 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(-n2cccn2)ccn1 186087910 QKTYWJRYNAUTHP-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CNc1ccccc1OC 270573884 PUXJQJFEEQBHRV-VIFPVBQESA-N 324.337 -0.001 50 20 DBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)C(=O)NC(C)C 272831781 FLEUGECQXXRMDJ-JTQLQIEISA-N 300.359 -0.791 50 20 DBGD C[C@]1(C(N)=O)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 280486589 AUVVBYXYHBGPHR-HNNXBMFYSA-N 322.340 -0.216 50 20 DBGD COCCN(C)NC(=O)CN1CCN(c2ccccn2)CC1 294384501 MHFRLSJFBCNDPM-UHFFFAOYSA-N 307.398 -0.187 50 20 DBGD Cc1nc(O)[nH]c1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 496833035 IPCVHLYRXBDOQI-UHFFFAOYSA-N 313.314 -0.291 50 20 DBGD C[C@@H](O)C[C@@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584976040 PNLUAAFEUFKJOV-MWLCHTKSSA-N 311.118 -0.883 50 20 DBGD CC(C)(C)CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584983363 WJLXFXHIAFBUET-LBPRGKRZSA-N 324.161 -0.085 50 20 DBGD O=C(Nc1cc2n(n1)CCCC2)c1ccc(B(O)O)c(F)c1 584989058 KNRPYAVATUTBAD-UHFFFAOYSA-N 303.102 0.291 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCN(C(=O)C2CC2)C1 585000720 OFIMYNFDSHVKTE-UHFFFAOYSA-N 306.102 -0.843 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(B(O)O)cc1F 585030631 WKIKVKMSGYGLFM-TZMCWYRMSA-N 308.162 -0.100 50 20 DBGD COCCOCC(=O)NNC(=O)Cn1cnc2ccccc21 733123869 ITBVQVFYRHURGS-UHFFFAOYSA-N 306.322 -0.153 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 742055162 KWVDLJFDGOXNSW-ZYHUDNBSSA-N 323.374 -0.156 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1cc(F)c(F)cc1F)C(N)=O 748797196 PZYSLGJVRZKLQQ-JTQLQIEISA-N 318.255 -0.073 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@@]1(CO)CCOC1 763885403 KXWDFJDELFRPPK-SMDDNHRTSA-N 301.387 -0.348 50 20 DBGD C[C@@H]1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 776341115 PSZKIKVHSMVZEB-OPRDCNLKSA-N 303.384 -0.060 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNc1cccc(S(C)(=O)=O)c1 776478091 ADLSPWCFUYRWQW-UHFFFAOYSA-N 310.339 -0.211 50 20 DBGD COC(=O)CN(CC#N)CC(=O)NNC(=O)c1ccccc1 777596736 XCEJJHZYVPQGPK-UHFFFAOYSA-N 304.306 -0.554 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1 787864905 OIBBKAAWUVIENC-UHFFFAOYSA-N 310.266 -0.414 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 807368135 AFFPCKPKJFUSFQ-SECBINFHSA-N 324.399 -0.396 50 20 DBGD CCn1nc(C)c(C(=O)NNC(=O)CNC(=O)c2ccco2)n1 815228477 XCTSNWNRGOFCDL-UHFFFAOYSA-N 320.309 -0.610 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 820115021 XNDOIBJDUMWORU-LBPRGKRZSA-N 310.306 -0.120 50 20 DBGD CN(C)C1(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 825273717 LWWWJXMILFVLMS-UHFFFAOYSA-N 310.379 -0.281 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843975620 SGDLMLSODPEOHM-BBBLOLIVSA-N 300.359 -0.214 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOc2cccnc2)N1 858220479 AORPDJHATGDHDQ-SNVBAGLBSA-N 307.310 -0.931 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)o1 858697435 RUPRYKDYRVLRTJ-VHSXEESVSA-N 324.337 -0.115 50 20 DBGD C[S@@](=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 860637087 LCJDJIFHTMETFZ-ZQJOYCHOSA-N 324.362 -0.145 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c2ccccn12 862455693 IRJUXYFBSLJRKC-VIFPVBQESA-N 301.306 -0.318 50 20 DBGD Cc1c(F)cccc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863411938 DDHJYWFSZWPPRW-SECBINFHSA-N 315.326 -0.278 50 20 DBGD COC(=O)[C@@H](CNC(=O)c1ccc(B(O)O)cc1)CC(C)C 863874501 XNPVQEBNWSFHHD-GFCCVEGCSA-N 307.155 -0.069 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1 869908984 DOYFNIUHZOBNJO-WDEREUQCSA-N 304.343 -0.619 50 20 DBGD Cc1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)s1 1118141144 RVVXKBPULCTNGE-POYBYMJQSA-N 312.351 -0.038 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@@H]1CN(C)CCO1 1118185487 DQUPDBRLUFQCHB-YFKTTZPYSA-N 314.386 -0.539 50 20 DBGD O=C(CO[C@H]1CCOC1)NNc1ccc(-n2ccnc2)nn1 1258219432 CGDCHHHXIXKWTO-JTQLQIEISA-N 304.310 -0.089 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CC1)C[C@H](O)CCO2 1262344699 OQHLGYNUUAOQGP-CQSZACIVSA-N 319.166 -0.488 50 20 DBGD CC(C)CCn1ccc(NC(=O)C(=O)NNC(=O)CCO)n1 1320236681 CLVDSWIAAAJJNZ-UHFFFAOYSA-N 311.342 -0.603 50 20 DBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 1328746411 PDQGPMANHITOHP-NXEZZACHSA-N 305.338 -0.707 50 20 DBGD C=C(Br)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329159749 QZAWHKWVVJQPPR-ZCFIWIBFSA-N 305.132 -0.496 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1329240237 SDBQBVPEADAWOG-NXEZZACHSA-N 319.383 -0.657 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nc2ncccn2n1 1333281638 XIBRMIKXQRSCNU-ZETCQYMHSA-N 306.282 -0.773 50 20 DBGD C[C@@H](C(=O)NN=c1cc[nH]cc1)S(=O)(=O)C1CCOCC1 1337484015 XTTSPJJHZBRDCM-JTQLQIEISA-N 313.379 -0.071 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)[C@@H](C)N 1575416634 ZOUKSKLIVXNNCA-BXKDBHETSA-N 310.354 -0.224 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1590334615 KWCCBUCMKIMKQY-MUWHJKNJSA-N 303.282 -0.193 50 20 DBGD CNC(=O)NCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 1591211480 DYPOAJIUPWVKTD-UHFFFAOYSA-N 304.314 -0.371 50 20 DBGD CS(=O)(=O)CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591671225 KBIDPYMGTAQBEP-UHFFFAOYSA-N 311.327 -0.861 50 20 DBGD Cn1nncc1NNC(=O)c1ccc(-c2nn[nH]n2)cc1F 1592612920 DHBHMMJIRDDTEW-UHFFFAOYSA-N 303.261 -0.109 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1ncccc1C(=O)O 1594689898 BMNAGUQIGIUKIM-UHFFFAOYSA-N 319.277 -0.837 50 20 DBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNC(=O)NCC1CC1 1608329406 CKFYEPLCKGRSQT-VIFPVBQESA-N 312.326 -0.950 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)O)c1 1610008813 TWLRJPXGRAJERJ-UHFFFAOYSA-N 303.296 -0.397 50 20 DBGD N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792976438 UKTQPYTZZTYHJZ-DTHBNOIPSA-N 315.757 -0.911 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 263892966 VJBOTUNGVQYZOJ-GFCCVEGCSA-N 320.349 -0.284 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 264078139 CSUFCGRAJFZVAC-JTQLQIEISA-N 313.379 -0.377 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1cc(Cl)nc(N)n1 273565973 XBBGIKNRSOQWKS-UHFFFAOYSA-N 322.778 -0.517 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)N1 279679654 KSAXGRGRMXFMHT-VIFPVBQESA-N 305.290 -0.503 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 298331444 GNOBUJIDORNDJR-CABZTGNLSA-N 319.317 -0.548 50 20 DBGD O=S(=O)(CBr)NCCN1CCC(O)CC1 321091183 AEOUUZGUQHRXSA-UHFFFAOYSA-N 301.206 -0.285 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](N2CCCC2)C1 584940177 QQPKBFWHFUYCSU-GFCCVEGCSA-N 306.146 -0.184 50 20 DBGD O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(B(O)O)c(F)c1 584997965 MKGZWRKOOIQEGR-MFKMUULPSA-N 320.129 -0.611 50 20 DBGD COCCN1CCC[C@H]1CNCc1ccc(B(O)O)cc1F 585019960 LEEWMWQIEVAMTK-AWEZNQCLSA-N 310.178 -0.294 50 20 DBGD CSc1ccc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)cc1 585060990 NGENZYUZDFSNOP-VIFPVBQESA-N 308.168 -0.110 50 20 DBGD O=C(CSC[C@@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 727367304 JNWHSNRYRKUCJV-JTQLQIEISA-N 315.395 -0.285 50 20 DBGD CN(CCNC(=O)NNC(=O)C(=O)NC1CC1)C1CCCC1 729622598 PQPRPNRCBGOOIA-UHFFFAOYSA-N 311.386 -0.530 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)C2=NNC(=O)C2)cc1 732275702 IHZGPOPFKNOQIO-UHFFFAOYSA-N 304.306 -0.349 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 738106917 QOQJZMWSQNUSTQ-MNOVXSKESA-N 307.306 -0.025 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 754333899 UTOSVKRQZXBWFX-LLVKDONJSA-N 305.334 -0.089 50 20 DBGD COc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)CO 756118841 AJOZHHVSCSSPIC-UHFFFAOYSA-N 310.310 -0.458 50 20 DBGD CCNC(=O)N(C)NC(=O)c1csc(S(N)(=O)=O)c1 768414077 YSCPTPGEXQSPAO-UHFFFAOYSA-N 306.369 -0.298 50 20 DBGD COC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772233118 VQCBYANNJLNPLS-DTWKUNHWSA-N 317.342 -0.144 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC[C@H]1CO 784242633 FNUCBFVRALNIGS-WDEREUQCSA-N 303.428 -0.022 50 20 DBGD COCCCNC(=O)NNC(=O)COCc1ncc(C)o1 795589174 UJCXWQSHQSZBMW-UHFFFAOYSA-N 300.315 -0.133 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)N=c3cc[nH]cc3)cnc21 802027664 QURAPZAPOOVWHI-UHFFFAOYSA-N 312.293 -0.353 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](CC(C)C)C(N)=O)n1 839469381 HQZRVPPOVWPMBG-LLVKDONJSA-N 309.370 -0.205 50 20 DBGD CN(C)N(C(=O)CNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 849193404 RWLQHIKHDKAVQR-SNVBAGLBSA-N 319.427 -0.359 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)F)c1cc[nH]n1 855357055 YZKZSDJCLGBFQS-MRVPVSSYSA-N 303.269 -0.863 50 20 DBGD CCCCOCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858150352 SVNOBXKDASNZIB-JTQLQIEISA-N 300.359 -0.198 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOC2CCCCC2)N1 858694057 FMGDDEINVOSIMT-LLVKDONJSA-N 312.370 -0.055 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c2c(C)noc2n1 862450675 YRRWQTCHNXNNLE-VIFPVBQESA-N 317.305 -0.121 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452116 JKJLCSDNFIHHCQ-WPRPVWTQSA-N 310.354 -0.893 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1[N+](=O)[O-] 862452245 DFZRMRNQRUSCAB-MRVPVSSYSA-N 322.277 -0.357 50 20 DBGD COCCOc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 862462136 VCBYOJYVEMIMCD-JTQLQIEISA-N 322.321 -0.854 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1C#N 863413033 QRJSDWBUAMKXLH-LLVKDONJSA-N 322.346 -0.545 50 20 DBGD CN(C)C(=O)OC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863883634 HXFYSYXDNCJOQF-UHFFFAOYSA-N 320.154 -0.331 50 20 DBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)C1CCOCC1 883118342 TYJADWYSZHJFKU-NSHDSACASA-N 314.386 -0.536 50 20 DBGD C[C@]1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C[C@@H]1Br 906904129 CXBVMOVIVONRCU-BUYFANAVSA-N 316.155 -0.078 50 20 DBGD COc1cccc(NNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1118810279 HQFFOOPGKMGCGN-SSDOTTSWSA-N 308.298 -0.974 50 20 DBGD CCc1noc(CCCC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1118883747 HAWFOZHBRKXUQI-MRVPVSSYSA-N 309.326 -0.619 50 20 DBGD CC(C)C(=O)NNC(=O)CSc1nc(O)c2cnn(C)c2n1 1118952416 WGFDQKUHMRVJQB-UHFFFAOYSA-N 324.366 -0.036 50 20 DBGD COC(=O)NCC(=O)NNC(=O)c1cncn1-c1ccccc1 1251213345 FRUUKGPIDRERAE-UHFFFAOYSA-N 317.305 -0.011 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CO[C@H]3CCOC3)nc21 1253271850 AGBJYVNTANFIAV-ZETCQYMHSA-N 308.298 -0.683 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)c2c(C)n[nH]c2n1 1318132166 AZSFZDLXSBSHSO-UHFFFAOYSA-N 316.321 -0.386 50 20 DBGD COc1ccnc(NNC(=O)C(=O)Nc2ccc(C)nc2O)n1 1321360714 OBLFLJDHTBKQDV-UHFFFAOYSA-N 318.293 -0.024 50 20 DBGD CN1N=C(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CCC1=O 1321442667 BCHPHVYEZPRUCT-SECBINFHSA-N 316.383 -0.913 50 20 DBGD O=C(NCc1nc(C2CC2)no1)NNC(=O)C(=O)N1CCCC1 1321519418 MBQSDGCIBKCHAA-UHFFFAOYSA-N 322.325 -0.600 50 20 DBGD CC(=O)OC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1323698910 HPYUXWZVGDFNIC-UHFFFAOYSA-N 308.294 -0.491 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 1333676675 GJHHMXBPWLJLJA-GFCCVEGCSA-N 304.354 -0.538 50 20 DBGD Cn1ccc(C=NNC(=O)CSc2nnc(O)nc2O)n1 1347628704 MIOCHEKDBKMHJM-UHFFFAOYSA-N 309.311 -0.741 50 20 DBGD CCN(C(C)=O)c1ccc(NC(=O)NNC(=O)CCO)cn1 1350613641 YWHKDURGEOKUEZ-UHFFFAOYSA-N 309.326 -0.011 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CN1CCC(CO)CC1 1357260562 ANQUTVGWWXCHSE-UHFFFAOYSA-N 302.444 -0.016 50 20 DBGD CO[C@H]1CN[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1 1574006603 NWAISQIITZHCMO-BDAKNGLRSA-N 316.358 -0.965 50 20 DBGD CN[C@@H](CC(C)(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1578589539 CFAZSFMTCWESKA-UWVGGRQHSA-N 319.427 -0.407 50 20 DBGD N[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 1580430634 STULIBUTJQRDEQ-MGCOHNPYSA-N 306.322 -0.109 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1 1591011956 GGSMBHQAKYUOSU-UHFFFAOYSA-N 322.304 -0.280 50 20 DBGD Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)NN(C)C[C@@H](C)O 1605510403 ROROCJBANFYLHN-SSDOTTSWSA-N 307.314 -0.767 50 20 DBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)O)C1 1846173860 QCYJPSJRRYAKLO-VHSXEESVSA-N 304.774 -0.176 50 20 DBGD O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)NC1CC1 9889759 JVOAGYUGRUENJF-UHFFFAOYSA-N 306.278 -0.437 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CC1=O 267547795 CXFMNAYYMYFHAH-NSHDSACASA-N 308.313 -0.071 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)NCc1ccco1 269934932 DUTHWKVCBMMIQK-UHFFFAOYSA-N 321.355 -0.424 50 20 DBGD CCC[C@H](OC)C(=O)NNC(=O)CNC(=O)c1cccnc1 294871649 HQFLPQQQIUOVAA-NSHDSACASA-N 308.338 -0.226 50 20 DBGD COc1ccc(O)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 299463068 CPHPHMUSARMTGQ-UHFFFAOYSA-N 307.306 -0.216 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCC1 299542616 JPMNPDXOJQNUMQ-UHFFFAOYSA-N 319.317 -0.159 50 20 DBGD O=C(/C=C\c1cccc(O)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 492734177 JNKPTHUGRVFSKM-DOGVGXBMSA-N 324.358 -0.013 50 20 DBGD Cc1ccc([C@@](C)(O)CNC(=O)c2ccc(B(O)O)cc2)o1 584954942 QDHLXOHVYJMPIH-HNNXBMFYSA-N 303.123 -0.095 50 20 DBGD CC(C)C(=O)N1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584961803 BAEHDDBUKWJPRZ-NSHDSACASA-N 322.145 -0.508 50 20 DBGD COCCO[C@@H]1COCC[C@@H]1NCc1cccc(B(O)O)c1 585036728 PNWNCUMUTSLERH-LSDHHAIUSA-N 309.171 -0.724 50 20 DBGD O=C(NCCCc1nc(-c2ccc(B(O)O)cc2)no1)C1CC1 585049921 ZWPWBFJKGMGKHY-UHFFFAOYSA-N 315.138 -0.125 50 20 DBGD OC[C@@H]1CCCN(c2cc(N3CC[C@@H](B(O)O)C3)ncn2)C1 585072672 CZILZRGJVJRKNL-VXGBXAGGSA-N 306.175 -0.262 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)COCc1ccccc1 737453366 WOLZBLUUWRCNGO-UHFFFAOYSA-N 324.406 -0.213 50 20 DBGD COc1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)n1 752300165 ZCHCSPWKWSNCBH-UHFFFAOYSA-N 318.289 -0.126 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)COc1ccc(F)cc1 754974937 VBSAHSBPUDQPKG-ZDUSSCGKSA-N 300.286 -0.251 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cnc2nccnc2c1 759379316 JSHXRIMYBSTUCX-UHFFFAOYSA-N 302.294 -0.289 50 20 DBGD CCS(=O)(=O)CCN(C)CC(=O)NNC(=O)C(C)(C)C 759384612 TVRIDYQXVODJFT-UHFFFAOYSA-N 307.416 -0.454 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cncs1 764342886 JLBMPMLREUHISB-UHFFFAOYSA-N 305.319 -0.271 50 20 DBGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1 770772131 VQYBSRIFWDUEDC-SECBINFHSA-N 320.415 -0.213 50 20 DBGD C=CCOc1cccnc1C(=O)NNC(=O)C(=O)NC(C)C 775522098 QEIZEOARGFXRLK-UHFFFAOYSA-N 306.322 -0.068 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@@](C)(C(N)=O)C2)c1 796581476 QOZPKBSZBHTRJU-MRXNPFEDSA-N 318.377 -0.047 50 20 DBGD C[C@@H](O)CN1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)C1 800374192 KPYDKJQVRGVCPY-VXGBXAGGSA-N 314.430 -0.433 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1 807382948 VUTGBRWWYMGDQF-WDEREUQCSA-N 311.386 -0.734 50 20 DBGD O=C(O)CCNC(=O)NNC(=O)c1nnc(O)c2ccccc12 819492575 NGVZHXMBQPMRCD-UHFFFAOYSA-N 319.277 -0.246 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1=O 824794090 KXDNJJOZZMGQGQ-RXMQYKEDSA-N 310.232 -0.583 50 20 DBGD CCN1CCN(CCC(=O)NNc2cc(C)nc(N)n2)CC1 828372240 VMNHYJMJPIHQKT-UHFFFAOYSA-N 307.402 -0.162 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 831858267 OHWPDQXHEOFAQZ-SSDOTTSWSA-N 306.330 -0.338 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1 852132181 LCNHJBNRWWLCFK-SNVBAGLBSA-N 324.360 -0.316 50 20 DBGD CN1CCc2[nH]c3ccc(C(=O)NNC(=O)CO)cc3c2C1 857170633 QNURSWJKBAXCBX-UHFFFAOYSA-N 302.334 -0.091 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 859440592 NTMNYZQUGGHMEW-PELKAZGASA-N 307.306 -0.502 50 20 DBGD CCS(=O)(=O)NCC(=O)NNCC(F)(F)C(F)(F)F 863098209 YQUXUMSUUDKRBI-UHFFFAOYSA-N 313.248 -0.256 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)cc([N+](=O)[O-])c1 863460238 PCZQWEAMTKOKNX-UHFFFAOYSA-N 315.307 -0.291 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 863867170 TUDHCMIRIRQQEX-KEPMVKOISA-N 317.411 -0.102 50 20 DBGD CC(C)N(CCS(C)(=O)=O)C(=O)c1ccc(B(O)O)cc1 863878368 RMDJDYJGHRDDEF-UHFFFAOYSA-N 313.184 -0.738 50 20 DBGD CO[C@]1(C(=O)NNC(=O)N2CCN(C)CC2)CCSC1 897537987 SVFOWORDVWDDLS-GFCCVEGCSA-N 302.400 -0.503 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=S)NC(C)(C)C 899997547 XLMZAOOVEWJTMJ-ZETCQYMHSA-N 310.445 -0.392 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)COc1ccccc1F 916720636 YPQWGZNBWKYBFP-UHFFFAOYSA-N 318.326 -0.213 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)NCCc1cccs1 920862121 PCMJDDHIUKPVHN-UHFFFAOYSA-N 305.381 -0.334 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1c(CO)noc1C 1118544229 CEUDZUKCAHMHGN-UHFFFAOYSA-N 316.383 -0.037 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1261461038 XAWUYDAXYACGNA-NXEZZACHSA-N 306.322 -0.099 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCO[C@H]1CN 1261643312 OHDFDSGIEPXKNZ-ONGXEEELSA-N 313.379 -0.103 50 20 DBGD N#Cc1ccc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)cc1 1320085174 DBTGACNPAZTLOC-JTQLQIEISA-N 302.290 -0.949 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(CN(C)C)c1 1320599134 ARPCDYICYUASPH-UHFFFAOYSA-N 322.321 -0.993 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccnc(OC(C)C)c1 1320710812 HUDYRQQXWAAJFL-UHFFFAOYSA-N 324.293 -0.872 50 20 DBGD Cn1cnc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)c1 1321551864 XBXGYRJBNCFTJR-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCCc3c[nH]nc32)N1 1329753669 JEHBNACOVBEIPO-DTWKUNHWSA-N 306.326 -0.604 50 20 DBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](B(O)O)C2)c1 1330262770 STZKVLZAIHVSOH-MRVPVSSYSA-N 315.131 -0.082 50 20 DBGD N#Cc1cccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1331272647 RPXPEIMBGUKJRR-NSHDSACASA-N 301.306 -0.333 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1331834900 TWBRFFVTMCCLAW-JTQLQIEISA-N 308.319 -0.854 50 20 DBGD Cc1nn(C)c(N)c1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1343882266 OKHYGOJXKGTIBP-MRVPVSSYSA-N 314.371 -0.869 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1cccc(F)n1 1348879916 NSUHYMLSOKIAEI-ONGXEEELSA-N 307.329 -0.630 50 20 DBGD Nc1c(C(=O)NNC(=O)[C@H]2CCN2)cnn1Cc1ccccc1 1580431875 XWUMKVPQIFQGDI-GFCCVEGCSA-N 314.349 -0.364 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1cc(-c2nn[nH]n2)c[nH]1 1593157986 KYTZYZSPIATKSO-KHQFGBGNSA-N 317.309 -0.477 50 20 DBGD O=C(O)[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)C1CC1 1594835813 LOVQZBOICNVTDA-NSHDSACASA-N 321.337 -0.133 50 20 DBGD C[C@@H](C(=O)NN(C)c1ccccn1)n1cnc(-c2nn[nH]n2)n1 1603019755 PLKIXRUZKGRXGJ-QMMMGPOBSA-N 314.313 -0.418 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1603970115 NBFNGONUSINFPK-ZETCQYMHSA-N 304.314 -0.381 50 20 DBGD O=C(O)Cc1ccc(CNC(=O)c2cccc(B(O)O)c2)cc1 1608776288 BMXWMQKDXPMSQN-UHFFFAOYSA-N 313.118 -0.077 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)N1CCc2c(Cl)cccc21 1610714539 WJDOJHDRYYLFFA-UHFFFAOYSA-N 311.681 -0.539 50 20 DBGD CCC(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563251 NAZOVYIBQULLEB-QXEWZRGKSA-N 302.758 -0.233 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)NCC1CC1 65193577 YVYVILBSVPTBIW-UHFFFAOYSA-N 323.353 -0.409 50 20 DBGD CC(C)(O)C(C)(C)OB(O)c1sc(B(O)O)cc1Cl 200314669 ZNKNJRPDXZHKQQ-UHFFFAOYSA-N 306.385 -0.665 50 20 DBGD CCN(CC)C(=O)CCC(=O)NNC(=O)C(=O)NC(C)C 267928821 NJTNFJOOKSGMPW-UHFFFAOYSA-N 300.359 -0.693 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@]1(O)CCSC1 270790176 GJSDGPGESMJQRI-LBPRGKRZSA-N 313.335 -0.975 50 20 DBGD Cc1cc(C)nc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)n1 272559204 ZRPMVADZCRMAPR-KOLCDFICSA-N 307.354 -0.188 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCOc1cccc(C(N)=O)c1 276301250 SVMNHDZGEWYTQD-UHFFFAOYSA-N 309.322 -0.527 50 20 DBGD CCc1nnc(C)cc1C(=O)NNC(=O)N1CCN(C)CC1 288022889 QCXPSBBCCDNBTR-UHFFFAOYSA-N 306.370 -0.051 50 20 DBGD CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cc(B(O)O)ccc1F 584973272 FMHAONDHQJDMDG-ZDUSSCGKSA-N 322.145 -0.412 50 20 DBGD CN1CCN(CCCNCc2ccc(B(O)O)cc2F)CC1 585033148 YQKUKFXSVOVQEY-UHFFFAOYSA-N 309.194 -0.767 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)o2)CCN1c1ccc(F)cc1 585046289 PGRDWNYAIMIUSW-CYBMUJFWSA-N 318.113 -0.006 50 20 DBGD CN(C)CC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 727761649 WWPUZOCSWCHOEU-QWRGUYRKSA-N 324.381 -0.739 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)c1cccc(OC(F)F)c1 728488367 JZJMVYZVRCFZST-UHFFFAOYSA-N 312.236 -0.264 50 20 DBGD CSC[C@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 731343117 KASFTQLDVXEQTI-YUMQZZPRSA-N 309.413 -0.497 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 738138390 VRBOMTBDXCLBHB-DTWKUNHWSA-N 307.306 -0.025 50 20 DBGD Cn1c(CC(=O)NNC(=O)CCNC(=O)O)nc2ccccc21 739013031 UMEURADXAFLYIL-UHFFFAOYSA-N 319.321 -0.079 50 20 DBGD Cc1noc2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc12 742114731 UFGFNWOINHMXDA-VIFPVBQESA-N 303.278 -0.429 50 20 DBGD Cn1cnc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 749371976 PZCRKSZFXAAEDK-UHFFFAOYSA-N 324.318 -0.228 50 20 DBGD O=C(CN1CCC(N2CCCNC2=O)CC1)NNC(=O)C1CC1 749546965 VEMSTKJDRLCRMG-UHFFFAOYSA-N 323.397 -0.577 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)n1cccn1 751202066 PBSRSTJKQOFTLP-VIFPVBQESA-N 305.294 -0.386 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nn1 757407297 HVHSMQOOGQLTPV-SSDOTTSWSA-N 304.310 -0.971 50 20 DBGD Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCCC1=O 762841600 VBJVWJGZXFFDTL-UHFFFAOYSA-N 309.282 -0.683 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCCO1 789332619 RPJUYJPVNKLXJR-MNOVXSKESA-N 311.342 -0.442 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCC23OCCO3)CC1 807383669 IINCUMSQNQGVRR-NSHDSACASA-N 312.370 -0.482 50 20 DBGD CC1CCN(S(=O)(=O)NNC(=O)C(=O)NC(C)C)CC1 808071001 JJGCMTJCFDYUBA-UHFFFAOYSA-N 306.388 -0.892 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2CCc3nnn(C)c3C2)n1 810089858 AGXHXDVTCHHMRF-QMMMGPOBSA-N 303.326 -0.138 50 20 DBGD COc1ccccc1C(=O)NNC(=O)COCc1nncn1C 815542652 NYYRBBSDLCCQPS-UHFFFAOYSA-N 319.321 -0.199 50 20 DBGD CC(C)[C@@H](C(=O)NN(C)[C@@H](C)CO)N1CCCS1(=O)=O 823946689 MURYLGAXWHJWFS-QWRGUYRKSA-N 307.416 -0.610 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNC(=O)N(C)C 824626803 DAKZKEXGDUYZLW-SECBINFHSA-N 306.388 -0.605 50 20 DBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)CNC(=O)c1cccnc1 827304620 YNRNHOHZJZXASH-QMMMGPOBSA-N 308.294 -0.930 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)cn1 828088207 UHONYKUYUPFFDK-IJLUTSLNSA-N 319.365 -0.124 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)cc1 833072827 ZYLWPTKGKNMXRD-UHFFFAOYSA-N 314.261 -0.691 50 20 DBGD COCCCOCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 854516883 SWCOXKPGIFGBQT-GFCCVEGCSA-N 322.427 -0.078 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NN[C@@H](C)C(F)(F)F 862311403 NLMFFGPQMFHYRN-ZETCQYMHSA-N 321.321 -0.486 50 20 DBGD COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455251 NGQPWOZZPUJBNZ-JTQLQIEISA-N 320.305 -0.096 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 863413999 VKZZXTZEAWJBOS-VIFPVBQESA-N 315.326 -0.278 50 20 DBGD COC(=O)[C@H](CNC(=O)c1cc(B(O)O)ccc1F)CC1CC1 863886471 AXIPAHFZLVYZSB-JTQLQIEISA-N 323.129 -0.175 50 20 DBGD CNC(=O)CN1CCC(NC(=O)NN=c2cc[nH]c(C)c2)CC1 875085200 XXSIUKUWVRVDBU-UHFFFAOYSA-N 320.397 -0.352 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cn1 1119662326 FHJKJDQSGWXNNK-UHFFFAOYSA-N 306.322 -0.136 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNC(=O)C1CCC1 1252271303 FGWMVDMLXVXDDM-UHFFFAOYSA-N 307.372 -0.822 50 20 DBGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)C1CCCC1 1254897589 XWVUBRTZIYYJPN-UHFFFAOYSA-N 320.349 -0.030 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCC(=O)c2ccccc21 1261835330 RHDRUMUWHXNVAG-NSHDSACASA-N 324.358 -0.061 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCO1 1319726132 CXDRDQIWFZCSLQ-SCVCMEIPSA-N 305.400 -0.065 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CCC1)S(=O)(=O)C1CCOCC1 1319754486 LDWFSUOEMUIEKZ-SECBINFHSA-N 318.395 -0.084 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccnc1C 1320237017 JTSSXXMYGKFFQH-JTQLQIEISA-N 324.337 -0.473 50 20 DBGD COc1ccnc(NNC(=O)c2c(C)c(C)nn(C)c2=O)n1 1322949440 NRBBZCMJOYFXLB-UHFFFAOYSA-N 304.310 -0.047 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc21 1338604894 DLEONHWVHABLDF-UHFFFAOYSA-N 302.294 -0.992 50 20 DBGD Cn1c(CC(=O)NNC(=O)N[C@H]2CNOC2)nc2ccccc21 1579944020 DDFBGXPDFJOTTP-VIFPVBQESA-N 318.337 -0.650 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CC2(CNC2)n2ccnc21 1580736286 RDQVTGPQBDYOAB-VHSXEESVSA-N 320.353 -0.864 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1590000020 CVHISUARXOJQHP-KWQFWETISA-N 306.326 -0.756 50 20 DBGD CSCC[C@@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591700793 VMFJJIPFAXIJEZ-MRVPVSSYSA-N 309.355 -0.181 50 20 DBGD NC(=O)CCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1592726424 BAMRXXCNURBSLR-UHFFFAOYSA-N 317.309 -0.717 50 20 DBGD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1598120184 WQJYQXYPWYNTCU-YUMQZZPRSA-N 300.315 -0.952 50 20 DBGD O=C(NNC(=O)[C@@H](O)C1CCC1)c1cccc(-c2nn[nH]n2)c1 1606849736 WUAJCVNLEYNJNK-NSHDSACASA-N 316.321 -0.211 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1cccc(C(=O)O)c1 1610660478 GNERANUQFVRTLW-UHFFFAOYSA-N 318.289 -0.232 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)NCC(=O)N(C)C)c1 43715279 AKXLSPPTJAJBDV-UHFFFAOYSA-N 308.338 -0.208 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(=O)NC1CC1 128352968 CQKUFQNDCKYPOC-UHFFFAOYSA-N 322.340 -0.203 50 20 DBGD CN(NC(=O)CNC(=O)c1ccc(Br)o1)C(N)=O 179692939 ATARJTRCLGSIGF-UHFFFAOYSA-N 319.115 -0.186 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CC[C@@](C)(O)C2)n1 267395484 XZOBZIJVKPFOMF-CYBMUJFWSA-N 312.395 -0.402 50 20 DBGD COC(=O)Cc1occc1C(=O)NNC(=O)N1CCN(C)CC1 290375717 IDDVIECAQIEKLH-UHFFFAOYSA-N 324.337 -0.403 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)c1cccc(N(C)C)c1 298653822 NVZCYKDGLBPJTQ-UHFFFAOYSA-N 307.354 -0.167 50 20 DBGD CN(C)CC(=O)NNC(=O)CC1CN(C(=O)OC(C)(C)C)C1 492994377 VHDWWYCZZVDDFS-UHFFFAOYSA-N 314.386 -0.048 50 20 DBGD COC(=O)N(C)CCCC(=O)NNC(=O)N1CCN(C)CC1 496476386 AQWYFUXAKUOUML-UHFFFAOYSA-N 315.374 -0.547 50 20 DBGD O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(B(O)O)cc1 584968520 LPGWCAYNPDLJTQ-CABCVRRESA-N 318.182 -0.651 50 20 DBGD CCNC(=O)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584993471 VUONCAYWRUYPIH-LBPRGKRZSA-N 310.134 -0.604 50 20 DBGD COCCn1cc2c(n1)[C@H](NCc1ccc(B(O)O)o1)CCC2 585033649 ACGYEKAZJRHCIO-CYBMUJFWSA-N 319.170 -0.031 50 20 DBGD C[C@H]1[C@H](CNCc2ccc(B(O)O)cc2F)N(C)CCN1C 585042532 DTEVVKQADPAENE-NHYWBVRUSA-N 309.194 -0.771 50 20 DBGD O=C(CN1CCc2nn[nH]c2C1)NNC(=O)c1ccc(F)cc1 759514764 ILBSQQWEEKHKCQ-UHFFFAOYSA-N 318.312 -0.237 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1C[C@]12CCOC2 763442403 XCLLMJMKJWTUOW-XPTSAGLGSA-N 307.306 -0.417 50 20 DBGD CN(NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(N)=O 778418247 LSQBHVAGPQMWMA-ZDUSSCGKSA-N 305.294 -0.604 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNC(=O)c1ccccc1 779975991 XSCNGFBDTILQSK-UHFFFAOYSA-N 316.321 -0.216 50 20 DBGD Cc1nn(C)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1[N+](=O)[O-] 802036336 UQPZKDYWCNDGDY-UHFFFAOYSA-N 319.281 -0.080 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CC(=O)N1CCCC1 827314768 JRWFJSWRAJYRSA-GHMZBOCLSA-N 312.370 -0.294 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cc[nH]n1 855359488 UCIMQSMXEMTMBI-SECBINFHSA-N 317.305 -0.188 50 20 DBGD CN1CCNC[C@@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 912078776 YQOFZXAOCJMDIV-GFCCVEGCSA-N 316.365 -0.720 50 20 DBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)CN1CCCC1=O 913731135 VKSXFZPXFVLJSP-MNOVXSKESA-N 313.354 -0.660 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CN2CCCNC2=O)cc1 915260365 FMKTZQNWCUWGCN-UHFFFAOYSA-N 320.349 -0.063 50 20 DBGD C=CCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 921166153 RLAXRQXFRYXWJE-VHSXEESVSA-N 319.383 -0.515 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 1118713043 VMYITIKDKUAWPE-LURJTMIESA-N 312.717 -0.130 50 20 DBGD COCc1cc(NC(=O)C(=O)NNC(C)=O)cc(C(=O)OC)c1 1261240199 PAIIQGWTKWMFAN-UHFFFAOYSA-N 323.305 -0.275 50 20 DBGD Cc1nnc(NNC(=O)CCn2c(C)csc2=O)nc1O 1317774438 PYODBWNKNVLZQY-UHFFFAOYSA-N 310.339 -0.049 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 1320510432 KZGWSZNVNJSJJZ-UHFFFAOYSA-N 302.294 -0.114 50 20 DBGD Cc1c(C(=O)NNC(=O)C(=O)NC2CC2)ccc2cncn12 1323656746 SOQYHPFZRPNJQM-UHFFFAOYSA-N 301.306 -0.318 50 20 DBGD Cc1nc([C@@H]2COCCN2CC(=O)NNC(=O)C2CC2)no1 1325206737 ZJYOIORURGCNJF-JTQLQIEISA-N 309.326 -0.691 50 20 DBGD O=C(NNC(=O)C1CCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1327642114 ZZSMXARCQMIOIG-UHFFFAOYSA-N 302.290 -0.223 50 20 DBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)c1cnn(C)c1 1328685138 GZOKQQHOZRMYBE-SECBINFHSA-N 308.342 -0.625 50 20 DBGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)c1cn[nH]c1 1330070195 DTCFGINLXZXXIN-UHFFFAOYSA-N 319.325 -0.194 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cc(CO)nn2)cc1 1336861691 NMFGLYKBSMRQRR-UHFFFAOYSA-N 300.278 -0.897 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c[nH]nc1C1CC1 1338900798 XMTSUHSSVCWYJB-QMMMGPOBSA-N 312.351 -0.517 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H](O)c1ccccn1 1346960140 SQHPHIFMYHWXSG-SECBINFHSA-N 300.409 -0.027 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)ccc1=O 1574449058 GUIJCZYYDFEENC-DTWKUNHWSA-N 307.306 -0.353 50 20 DBGD N#C[C@@H]1CNCC12CC(C(=O)NNC(=O)[C@@H]1CCCCO1)C2 1580042881 DAFPIMOTRNGEEL-OOLXCHQQSA-N 306.366 -0.158 50 20 DBGD NCCCC(=O)NNC(=O)c1cc(-n2ccnn2)ccc1F 1580289603 OFVUPRFYRLURGB-UHFFFAOYSA-N 306.301 -0.094 50 20 DBGD COCCOCC(=O)NN=Cc1ccccc1-c1nn[nH]n1 1591434141 DCSLTJJZURESKR-UHFFFAOYSA-N 304.310 -0.020 50 20 DBGD OB(O)[C@H]1CCN(c2nc3ncccc3cc2-c2nn[nH]n2)C1 1593498147 JAVAGVPKKDJGQP-VIFPVBQESA-N 311.114 -0.137 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609323384 WTHDAJDQOYDCMW-UHFFFAOYSA-N 319.325 -0.153 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1sccc1C(=O)O 1776042188 SCFDHUVHZOTTSB-ZCFIWIBFSA-N 319.364 -0.166 50 20 DBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)CC(C)C)cn1C 31666735 ICDYIPDDPZTSSZ-UHFFFAOYSA-N 316.383 -0.260 50 20 DBGD O=C(CN1CCC[C@@H](O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 48616115 ZJITWSFURNJCAU-GFCCVEGCSA-N 322.321 -0.188 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 65191372 RJYMHBGCWPBKKP-UHFFFAOYSA-N 314.367 -0.099 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1ncccn1 269493380 TUQSRPRBLKDTNR-QMMMGPOBSA-N 301.372 -0.116 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccccc2F)O1 280517766 MKEXOFFNHDHKJQ-QWRGUYRKSA-N 309.297 -0.452 50 20 DBGD Cc1ccc(NNC(=O)NCCS(=O)(=O)N(C)C)nn1 290926320 KGLIKKHDNJXFJM-UHFFFAOYSA-N 302.360 -0.697 50 20 DBGD CCOC(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 490690847 MIQXRZSPHGUSFE-UHFFFAOYSA-N 316.339 -0.521 50 20 DBGD COc1ncc(/C=C/C(=O)NNC(=O)c2c[nH]nc2C)cn1 492700088 BUSOQKFOJTXDOP-ONEGZZNKSA-N 302.294 -0.009 50 20 DBGD Cc1ncc2c(n1)CC[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 584928178 ONRYOVWTVOPNPW-AWEZNQCLSA-N 311.150 -0.248 50 20 DBGD O=C(NC[C@H]1CCCCN1CCO)c1ccc(B(O)O)c(F)c1 584995987 UGEWQYICLYHDCO-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 730090544 INHMBFHFKHULBZ-LLVKDONJSA-N 319.365 -0.252 50 20 DBGD CCOCC(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C 731281207 ZVGDWSJPRKSALC-UHFFFAOYSA-N 324.403 -0.929 50 20 DBGD CN(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 749590742 NQFBEBZASJOHAF-QWRGUYRKSA-N 311.386 -0.532 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)COc2ccccc2F)CCN1 760265689 YXZGFKCQLYCZKV-SECBINFHSA-N 309.297 -0.122 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCO2 764316523 FGDLTPLXYYKGQU-UHFFFAOYSA-N 309.278 -0.462 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)Nc1nc(CS(C)(=O)=O)no1 765244703 PGTNYEPKYSQHTB-LURJTMIESA-N 319.343 -0.187 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 765366868 QKOIEJMLQBMAGC-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD C[C@]1(NNC(=O)N[C@@H]2CCC[C@H]2CCO)CCS(=O)(=O)C1 779715001 WAMBIFFIHGAZGP-LOWVWBTDSA-N 319.427 -0.082 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)Cc2cccnc2)on1 781426015 KFNULVPAFUSTOY-UHFFFAOYSA-N 304.262 -0.140 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C[C@@H](C)O)[C@H](C)CO)c1 785538872 YEUNQZYOUXVLMP-CHWSQXEVSA-N 323.393 -0.180 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 816831154 IIXQLSZLDPOLCN-VHSXEESVSA-N 319.317 -0.270 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(C)(C)CN2CCOCC2)cn1 820082713 JLVSZDUKGNLGCW-UHFFFAOYSA-N 309.370 -0.461 50 20 DBGD CCN(CCO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 823846948 PJMBJQBHYRHLMQ-LLVKDONJSA-N 319.365 -0.330 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC2CCC1CC2 825731294 DVVRVMGEFGZYKL-IDWGSYCQSA-N 317.411 -0.102 50 20 DBGD CCN(CC)C(=O)CN1CCN(S(=O)(=O)CCl)CC1 829828513 HASZSLOJHRQEFR-UHFFFAOYSA-N 311.835 -0.002 50 20 DBGD O=C(CN1CSCC1=O)NNC(=O)OCC(F)(F)F 856024654 DIUNNKGDZCZADQ-UHFFFAOYSA-N 301.246 -0.161 50 20 DBGD CCOCC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858463560 STQITXSDLPHPHV-SECBINFHSA-N 300.359 -0.342 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)nn1C 863404223 ZSRNXVQWKSEIPY-UHFFFAOYSA-N 315.277 -0.097 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2cccc(F)c2)N1 863413841 MFQVXTBKGQWAHC-SECBINFHSA-N 301.299 -0.586 50 20 DBGD CN(C)S(=O)(=O)CCS(=O)(=O)NCC(Cl)Cl 882328347 FACAHUMDPXLZJN-UHFFFAOYSA-N 313.228 -0.399 50 20 DBGD CCOC(=O)[C@H]1CSCN1C(=O)c1cccc(B(O)O)c1 907908140 WRLKIQORPXPGDO-LLVKDONJSA-N 309.152 -0.555 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1116597231 CPMOOHQAZNSDOB-UHFFFAOYSA-N 319.321 -0.764 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cc(C)no1 1319367790 LXWVGSYKCYQWDL-SECBINFHSA-N 300.315 -0.135 50 20 DBGD COc1cc(F)cc(NNC(=O)c2cn(CC(N)=O)nn2)c1 1319369628 DEZCIULVIYTUKN-UHFFFAOYSA-N 308.273 -0.332 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccn(-c2ccncc2)n1 1321140251 JSWBDJFTKXXJFM-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cc2nc3ncccn3n2)n[nH]1 1324564063 CZJVDLOJDKWGHH-UHFFFAOYSA-N 300.282 -0.840 50 20 DBGD CCn1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1326364460 QNFRCQMZZCIBPF-QMMMGPOBSA-N 300.340 -0.901 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNc3ccn(C)n3)CC2=O)cn1 1329287382 IUGNGFNJBMRUTF-VIFPVBQESA-N 303.326 -0.350 50 20 DBGD Cc1ncc(C(=O)NNC(=O)CS(C)(=O)=O)c(C2CC2)n1 1330169176 VGRSIQXIODSOQB-UHFFFAOYSA-N 312.351 -0.532 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1330262677 ZISYYMOQMHHSEE-CSMHCCOUSA-N 318.317 -0.447 50 20 DBGD C[C@H](Cc1ccccn1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331314807 KYTNXFFAWWISCE-MWLCHTKSSA-N 305.338 -0.378 50 20 DBGD CN1CCC(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1 1339389208 RXGBXFTVQDGLSX-LBPRGKRZSA-N 303.428 -0.180 50 20 DBGD Cc1nnsc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1343847097 PHOWWSGXNSFTPJ-SSDOTTSWSA-N 303.369 -0.333 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)C(=O)NC1CC1 1594782955 PCHCDEHKZJSVOV-UHFFFAOYSA-N 315.351 -0.990 50 20 DBGD COc1cncc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1605342017 NWJLYIAKFWYBPF-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1606002378 YJDVIWUYMPBWJY-ZETCQYMHSA-N 318.330 -0.343 50 20 DBGD O=C(CN1CCO[C@H](C(=O)O)C1)NNC(=O)c1cccs1 43703529 DNBQHISJMFMRQW-QMMMGPOBSA-N 313.335 -0.706 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 101699739 FTXVSBSCLYWGAB-UHFFFAOYSA-N 312.293 -0.476 50 20 DBGD COc1cc(C(=O)NNC(=O)CN(C)C)cc2c1OCCO2 263930038 XQPQBCVQUFRNPW-UHFFFAOYSA-N 309.322 -0.211 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCN(C)C2=O)cc1 265861550 XJOUJPVXHHPVPV-LBPRGKRZSA-N 320.349 -0.065 50 20 DBGD CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268974344 PHLJCMXMBBXTTP-MRVPVSSYSA-N 310.335 -0.608 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CN(C)C)cccc1[N+](=O)[O-] 274102174 WZOYRCRUWSOKSS-UHFFFAOYSA-N 323.309 -0.449 50 20 DBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)O1 282705116 PCTQMTQLSYOXTA-GIPNMCIBSA-N 320.349 -0.228 50 20 DBGD Cc1oc(C(=O)NNC(=O)CC2CC2)cc1S(N)(=O)=O 294194340 PBCJLCVJCQACDK-UHFFFAOYSA-N 301.324 -0.203 50 20 DBGD CN(C)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 299371910 LDAHLWAOYZOOSM-OINDSLJFSA-N 306.322 -0.904 50 20 DBGD CCOC(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C 492969464 TWFCABAPROMDNH-UHFFFAOYSA-N 311.360 -0.892 50 20 DBGD O=C(NC1CCN(C(=O)c2cccc(B(O)O)c2)CC1)C1CC1 584975202 UKJKGCKTTDVBDN-UHFFFAOYSA-N 316.166 -0.503 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@@H]3COC[C@H]3[C@H]2C1 585010433 QQFDXVXRANHECS-CYDGBPFRSA-N 305.114 -0.530 50 20 DBGD C=CCn1c(S)nc2cc(C(=O)NCB(O)O)ccc2c1=O 585055692 HHNATZUSRYFNCO-UHFFFAOYSA-N 319.151 -0.387 50 20 DBGD O=C(NCB(O)O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 585060962 MLCKNUFGXWIKEQ-GFCCVEGCSA-N 322.145 -0.265 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)CC(C)(C)C 728743961 IOCCHFJMZUKCID-UHFFFAOYSA-N 308.404 -0.308 50 20 DBGD Cc1ncsc1CNC(=O)NNC(=O)C(=O)N1CCCC1 729616047 MGUCRCRUOGMZDE-UHFFFAOYSA-N 311.367 -0.096 50 20 DBGD NC(=O)c1cc(C(=O)NNC(=O)COc2ccccc2O)c[nH]1 730782388 NWMMHEWTUDMIDR-UHFFFAOYSA-N 318.289 -0.341 50 20 DBGD CSC[C@@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 731343116 KASFTQLDVXEQTI-SFYZADRCSA-N 309.413 -0.497 50 20 DBGD CN1CCCC[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 732259127 MEHPSCQLVWRLTC-UWVGGRQHSA-N 303.384 -0.947 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 747631722 VMQICLKXKKYQCA-SSDOTTSWSA-N 316.339 -0.811 50 20 DBGD O=C(CO)NNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 753446017 YTNGWOBEAKOXGD-UHFFFAOYSA-N 312.238 -0.425 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 758659393 UGILQSNHUOXBJT-MRVPVSSYSA-N 315.355 -0.312 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 766260874 WTDLLVYJKKGLFI-UHFFFAOYSA-N 324.293 -0.056 50 20 DBGD CC(C)(C(N)=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 768005194 SVUPLFIOQRCCBR-UHFFFAOYSA-N 303.322 -0.464 50 20 DBGD CCOC(=O)C1(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)CC1 772239212 WRSNIBFXIADXDD-QMMMGPOBSA-N 300.311 -0.181 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C2(NC(N)=O)CC2)nc1C 778425975 ITDCRZXVDMYDBV-UHFFFAOYSA-N 322.325 -0.394 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C2=NN(CCO)C(=O)CC2)n1 794077666 YQBMNAHIXSJIRB-UHFFFAOYSA-N 319.321 -0.878 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](c2nc(O)n[nH]2)C1 808777270 JCARFIZQKSQMQI-IUCAKERBSA-N 310.358 -0.364 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)CNC(=O)c1ccco1)C1CCC1 813434828 VUJMNRGLSKHPHJ-AWEZNQCLSA-N 309.322 -0.292 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 820114388 NKYJUWRXVIDFDA-NSHDSACASA-N 319.317 -0.160 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1cc2c(N(C)C)ncnc2n1C 823939522 LJGFEUDKGLMKGZ-SECBINFHSA-N 306.370 -0.008 50 20 DBGD CC(C)n1ccnc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 853303301 LBTCKPHVVQWVPR-SECBINFHSA-N 301.372 -0.148 50 20 DBGD COc1ccc(OC)c(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862450381 RHXNBEMZIRTTRX-LLVKDONJSA-N 321.333 -0.328 50 20 DBGD CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)[C@@H]2CCC(=O)N2)C1 863152694 DGPLCGHOXNVNJB-ZJUUUORDSA-N 301.368 -0.276 50 20 DBGD C#CCn1ccc(CN(CC)C(=O)c2cccc(B(O)O)c2)n1 863880755 CZBHKKRQNBZVFM-UHFFFAOYSA-N 311.150 -0.142 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NN(C)C(=S)NC)C1 909992415 CUBBRXDRXDRBOZ-JTQLQIEISA-N 316.427 -0.271 50 20 DBGD COCCOCC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 914879193 PEJGNDFFGPAJHE-UHFFFAOYSA-N 324.259 -0.288 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCS(=O)(=O)C1 919889257 KHBHTEYIPRCWFM-MMWGEVLESA-N 315.395 -0.060 50 20 DBGD CN1CCN(C(=O)CNS(=O)(=O)CBr)CC1 920535589 NGQPLBWFHAWAHZ-UHFFFAOYSA-N 314.205 -0.968 50 20 DBGD CC(=O)NCCCCCC(=O)NNC(=O)C(=O)N1CCCC1 1115921370 AOGAONNZPBOGFN-UHFFFAOYSA-N 312.370 -0.547 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(O)nn2)C[C@@H](C)O1 1116038028 UZDVPESQLUDMAO-NXEZZACHSA-N 323.353 -0.558 50 20 DBGD CN(C)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 1116909869 MLZDJGPEYUPFDL-UHFFFAOYSA-N 304.303 -0.611 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H]1CN(C)CCO1 1119290580 WFGDWWFFUSVOTD-PWSUYJOCSA-N 314.386 -0.538 50 20 DBGD O=C(CCc1nc2cccnc2[nH]1)NNC(=O)C(=O)NC1CC1 1251749815 UMIWBGVFCSZELV-UHFFFAOYSA-N 316.321 -0.684 50 20 DBGD Cc1nn(C)c2ncc(S(=O)(=O)NNC(=O)N(C)C)cc12 1318135259 KCBATUADXIGJKH-UHFFFAOYSA-N 312.355 -0.259 50 20 DBGD Cc1nnc(NNC(=O)c2ccc3c(c2)nnn3C)nc1O 1318294888 QVIHGAGQZXUFQL-UHFFFAOYSA-N 300.282 -0.076 50 20 DBGD O=C(COc1cccnc1)NNC(=O)C(=O)Nc1ccccn1 1323813396 HRLXJMMFFSECRT-UHFFFAOYSA-N 315.289 -0.359 50 20 DBGD CN(CC(=O)NNc1ncncc1F)[C@H]1CCS(=O)(=O)C1 1325042655 QQDSHKHWBSGHEG-QMMMGPOBSA-N 317.346 -0.822 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O 1325966223 XCOUQAFSJARAPF-HRDYMLBCSA-N 307.372 -0.825 50 20 DBGD O=C(NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1cn[nH]c1 1329644695 NVZIQPAYNUYSPD-VIFPVBQESA-N 312.351 -0.614 50 20 DBGD CCNC(=O)NNC(=O)c1nc(S(C)(=O)=O)ncc1C 1330785468 DZFCFEDCDORRIZ-UHFFFAOYSA-N 301.328 -0.848 50 20 DBGD C[C@H](O)CN(C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 1332150445 XZBQOESJDJXBAN-JTQLQIEISA-N 307.416 -0.608 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1335365397 AJRKCLJOJWCBGK-SNVBAGLBSA-N 308.367 -0.406 50 20 DBGD CC(C)(C)n1nnc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1 1549312278 DEFNGSNDEONIOA-QWRGUYRKSA-N 321.385 -0.259 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1C 1599143162 NZPDDEIPQFLDNP-UHFFFAOYSA-N 309.278 -0.574 50 20 DBGD COC(=O)[C@H](CC(=O)O)NS(=O)(=O)CBr 1606326599 ZDVONNNNCRKUEF-BYPYZUCNSA-N 304.118 -0.726 50 20 DBGD Nc1ncn(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1 1606456645 YJUQBNAMSFHADL-UHFFFAOYSA-N 300.286 -0.816 50 20 DBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)NCC(=O)O)s1 1607621473 BEMLUTNUVRETBF-UHFFFAOYSA-N 307.353 -0.058 50 20 DBGD O=C(O)COCC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1608756759 WDSLINYJUGOISB-UHFFFAOYSA-N 318.289 -0.061 50 20 DBGD CN(CCCNC(=O)NNC(=O)C(=O)O)C(=O)OC(C)(C)C 1610116128 GYRVQLUDQPCEOA-UHFFFAOYSA-N 318.330 -0.342 50 20 DBGD O=C(NNC(=O)c1ccc2[nH]cnc2c1)C(=O)N1CCCC1 134170360 RHUDSSDWNLKDKY-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccccc1S(C)(=O)=O 276322748 XAXQUROKMRAERU-UHFFFAOYSA-N 300.336 -0.378 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2ncc[nH]2)C[C@@H](C)O1 289164903 WTYWEIGMRNLMOY-TXEJJXNPSA-N 323.397 -0.011 50 20 DBGD COc1ncccc1NC(=O)NN[C@@H]1CCS(=O)(=O)C1 299042919 RRKNVFKOSWRZPO-MRVPVSSYSA-N 300.340 -0.097 50 20 DBGD O=C1N[C@]2(C(=O)Nc3cccc(B(O)O)c3)C[C@H]3C[C@@H]1[C@H]2C3 584911666 LJGKYTCLOJCHRQ-FISKEMEKSA-N 300.123 -0.780 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CN3CCCC[C@@H]3CO2)cc1 585032500 VYABDKNQROXUAV-CVEARBPZSA-N 304.199 -0.291 50 20 DBGD Cc1c(Cl)cc(S(=O)(=O)NCB(O)O)cc1[N+](=O)[O-] 585054530 MSBJKFDNPYLUIT-UHFFFAOYSA-N 308.508 -0.153 50 20 DBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)NC)CC1=O 733138649 HSCXLEJWKRJYAV-MNOVXSKESA-N 311.386 -0.721 50 20 DBGD O=C(CN1CCC[C@@H](C(=O)NCC2CC2)C1)NNC(=O)C1CC1 733194442 RRNZMCRBKUWSLU-CYBMUJFWSA-N 322.409 -0.218 50 20 DBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)N(C)C)n[nH]c1C 745834380 QHNLHAQCUVKZAJ-UHFFFAOYSA-N 319.343 -0.641 50 20 DBGD CN(C)C(=O)NNC(=O)c1cccc(NS(C)(=O)=O)c1 746007814 CCBZCSSLOAIXDV-UHFFFAOYSA-N 300.340 -0.026 50 20 DBGD CS(=O)(=O)CCNC(=O)NNC(=O)CCc1ccccc1 749931836 OTPRXTQZCFHIRF-UHFFFAOYSA-N 313.379 -0.006 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](COC)C1CC1 750445208 FKCXREQBXJLKFK-ONGXEEELSA-N 303.359 -0.207 50 20 DBGD CCCS(=O)(=O)CC(=O)NNc1cc(Cl)nc(N)n1 753452884 WHNAHVCQWCJDOE-UHFFFAOYSA-N 307.763 -0.020 50 20 DBGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)NNC(=O)CO 756595933 ALJOBBNEBUGCBR-UHFFFAOYSA-N 315.351 -0.315 50 20 DBGD Cc1c[nH]ccc1=NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 757806825 BTYVZFQPJAHVDG-VIFPVBQESA-N 312.351 -0.601 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccccc1 764300026 RIDIXFZWNDYHDW-UHFFFAOYSA-N 317.305 -0.395 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCn1cc(Br)cn1 768260970 JGZCVCWWUQTQEW-UHFFFAOYSA-N 319.159 -0.046 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc2c(c1)NC(=O)CO2 788725794 OYMOMUNBVQXVHJ-UHFFFAOYSA-N 306.278 -0.176 50 20 DBGD Cn1ncc(C(=O)OCC(=O)NNC(=O)c2ccccc2)n1 792536416 ULWNWZFKFQZUDN-UHFFFAOYSA-N 303.278 -0.567 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@]12CCC(=O)N1CCS2 798305629 YIDITOINRJQCPI-NSHDSACASA-N 300.409 -0.267 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N1CCO[C@@H](C(=O)O)C1 819165736 VJPOTTJQMJYHJY-SNVBAGLBSA-N 308.294 -0.850 50 20 DBGD CC1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)COC1 824783431 GMXVNQCRFYRKKC-UHFFFAOYSA-N 302.294 -0.336 50 20 DBGD CN1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O 826017199 IITFVMIEZGLFBP-SECBINFHSA-N 301.310 -0.212 50 20 DBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 826448241 NNTVGKCLZYIIEH-SECBINFHSA-N 322.350 -0.256 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@H](CC(N)=O)C1 827289655 UQOZUMSBIKPGLD-AXFHLTTASA-N 312.370 -0.260 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 841395335 ILDPRVSDMLXTQU-XCBNKYQSSA-N 317.305 -0.127 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C(C#N)=C/c1cnn(C)c1 843970975 NWGLGXVLRHQSJX-WPUCZBQYSA-N 303.322 -0.101 50 20 DBGD O=C(CN1CCC[C@H](N2CCOCC2)C1)NNC(=O)C1CC1 846936831 OWOSZXCNBSJUHS-ZDUSSCGKSA-N 310.398 -0.660 50 20 DBGD COc1cccc([C@@H](OC)C(=O)NNC(=O)C(=O)NC2CC2)c1 854291628 HFYTZIWKGMDNMC-GFCCVEGCSA-N 321.333 -0.191 50 20 DBGD CN(C)[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862451916 BIRNOEPSPDBYHF-YPMHNXCESA-N 304.350 -0.285 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@H](C)CN2CCOCC2)n[nH]1 869014673 JEVZSICFXAEKIN-SNVBAGLBSA-N 309.370 -0.624 50 20 DBGD COCCOCC(=O)NN=C1CCN(CC(C)(C)O)CC1 872400350 KHKWRNFPYFPOTB-UHFFFAOYSA-N 301.387 -0.012 50 20 DBGD C#CCNC(=S)NNC(=O)C1CCN(c2ncccn2)CC1 1116391893 IVKIDFGMBRZZDC-UHFFFAOYSA-N 318.406 -0.179 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(OCC#N)c1 1116600031 NPNBPKABPNMILI-UHFFFAOYSA-N 306.278 -0.679 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN1C(=O)CCC1=O 1263790737 ZGGOEZNIUXXQEX-UHFFFAOYSA-N 315.326 -0.928 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1318279970 HMUSRESDPBMMRZ-JTQLQIEISA-N 307.331 -0.741 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNc2cccnn2)cn1 1320355297 QPSSRDYFPWHHAZ-UHFFFAOYSA-N 308.323 -0.463 50 20 DBGD Cn1ncc2cc(S(=O)(=O)NNC(=O)NCC3CC3)cnc21 1320732670 ZZEYSCYSOSWVKV-UHFFFAOYSA-N 324.366 -0.129 50 20 DBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)NCC(F)(F)F 1326978793 PPENKLZLAJRJMT-UHFFFAOYSA-N 310.192 -0.165 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)c1ccccc1Cl 1329235037 SIFPRKXLLOCALU-UHFFFAOYSA-N 309.713 -0.076 50 20 DBGD CC(=O)Nc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1330107566 FFVHJXQSKLPAFP-GFCCVEGCSA-N 318.333 -0.387 50 20 DBGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1330109993 ZATVEWFFVYYDNH-VIFPVBQESA-N 322.277 -0.357 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)C[C@@H]1Br 1331205198 PDTHODGWBBMFPF-PHGLEFOZSA-N 316.199 -0.151 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1353599303 QZFJFXRMQKWNDD-SGMGOOAPSA-N 305.334 -0.177 50 20 DBGD O=C(Cc1ccc2c(c1)NCC2)NNC(=O)[C@H]1COCCO1 1580571219 PHVBPERQGXCPCJ-CYBMUJFWSA-N 305.334 -0.240 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccsc1C(=O)O 1601312897 KNWQFDKEGZQIJC-UHFFFAOYSA-N 311.319 -0.170 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@]2(CC(C(=O)O)=NO2)C1 1604860192 SPECITKRKVGUBL-AMIZOPFISA-N 312.326 -0.762 50 20 DBGD O=C(c1ccnnc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556419 KEUCTDRGNGWCKN-SDDRHHMPSA-N 324.768 -0.108 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 7955209 MEEIEDFRFBDOJL-SNVBAGLBSA-N 312.347 -0.109 50 20 DBGD O=C(NNC(=O)c1ccsc1)N[C@H]1CCS(=O)(=O)C1 48952857 WCZKQBHKKVBQSR-QMMMGPOBSA-N 303.365 -0.121 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(N(C)CCCO)CC1 115547246 NGJYAFNIMUHWHM-GFCCVEGCSA-N 314.430 -0.289 50 20 DBGD O=C(NNC(=O)[C@H]1CCCOC1)c1ccc(-n2cnnn2)cc1 263917730 QEBKUKXEKJTWRC-NSHDSACASA-N 316.321 -0.150 50 20 DBGD Cc1cc(C(=O)NCC(=O)NNC(=O)N(C)C)ccc1[N+](=O)[O-] 272838070 OBODURBKTAKEPS-UHFFFAOYSA-N 323.309 -0.065 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 274087861 SRWYPPJVOJRAQQ-UHFFFAOYSA-N 319.365 -0.674 50 20 DBGD NC(=O)C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 367987841 HTFCENKFLYCZLH-SNVBAGLBSA-N 322.340 -0.216 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2COc3ccccc3C2)c1=O 371824470 LHWIHBKIHVGZJQ-NSHDSACASA-N 300.318 0.475 50 20 DBGD CC(C)(C)OC(=O)N1[C@H](C=NNC(=O)C(N)=O)COC1(C)C 495921901 NDSHQCQMHNISCA-MRVPVSSYSA-N 314.342 -0.054 50 20 DBGD CC(C)[C@@H](O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 496380181 JJOZOSYDGMZMNT-SECBINFHSA-N 318.374 -0.142 50 20 DBGD O=C(CNC(=O)NCC1CCCC1)Nc1cccc(B(O)O)c1 584911369 UXLGKZCHFNSSSN-UHFFFAOYSA-N 319.170 -0.206 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(c2ccccn2)CC1 584924920 MXGBHJBCJSVMEQ-UHFFFAOYSA-N 311.150 -0.276 50 20 DBGD C=CCNC(=O)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584943611 DYJRBEBNIGPVOP-CYBMUJFWSA-N 302.139 -0.727 50 20 DBGD CC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)C(C)(C)C1 584971673 XFQSZMSJIUQGEJ-UHFFFAOYSA-N 304.155 -0.551 50 20 DBGD CCCNC(=O)CCc1nc(-c2ccc(B(O)O)cc2)no1 585050496 ATZLGGIHBHKRGU-UHFFFAOYSA-N 303.127 -0.125 50 20 DBGD CCOCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 728187326 GBBFEXZBHQJLGI-UHFFFAOYSA-N 304.310 -0.150 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 730090545 INHMBFHFKHULBZ-NSHDSACASA-N 319.365 -0.252 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1ccccc1 730515364 USKMIJRMWFZWGT-UHFFFAOYSA-N 312.289 -0.468 50 20 DBGD CCCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 733369358 LPLQGDXRIALORF-UHFFFAOYSA-N 318.330 -0.173 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)COCc1ccccc1 738484249 LGIWHIJLEODSSE-NRFANRHFSA-N 313.379 -0.088 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746092673 BPNBMDWSHIHQSF-QVDPWDGTSA-N 321.333 -0.905 50 20 DBGD Cc1nccc(C(=O)NNC(=O)CNC(=O)c2ccco2)n1 751202377 CILLWRPWKJMELT-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cn(-c2ccccc2)nn1 755285796 UELCIRMUPQLDLD-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD NC(=O)c1ccc(NC(=O)NNC(=O)c2cnccn2)cn1 757700936 WRIGFGBPBPZDJI-UHFFFAOYSA-N 301.266 -0.563 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 768254564 ALNCEFQOYLLCME-UHFFFAOYSA-N 321.399 -0.890 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2ccnnc2)c2ccccc2c1=O 769461553 GWEUNVAIAYYGNX-UHFFFAOYSA-N 324.300 -0.202 50 20 DBGD COc1ccc(S(=O)(=O)NNC(C)=O)cc1CC(=O)O 775248316 XPRYZTFMHDRXGZ-UHFFFAOYSA-N 302.308 -0.348 50 20 DBGD COC(=O)CN(CC#N)CC(=O)NNC(=O)c1cccc(C)c1 777596723 WNXCBNWOFFUSEY-UHFFFAOYSA-N 318.333 -0.245 50 20 DBGD CS(=O)(=O)N1CC(CNS(=O)(=O)CBr)C1 778134499 JLUHFPPYAYTJCB-UHFFFAOYSA-N 321.218 -0.850 50 20 DBGD CN(NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(N)=O 778418246 LSQBHVAGPQMWMA-CYBMUJFWSA-N 305.294 -0.604 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNc1ncncc1Cl 781830291 OCMWRUONZKARIV-UHFFFAOYSA-N 307.763 -0.145 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H](O)C1CCCCC1 783524848 SXFSWYZYYQWIJW-QWRGUYRKSA-N 318.395 -0.490 50 20 DBGD CC(C)(C)c1csc(NC(=O)C(=O)NNC(=O)CO)n1 789740362 VPWSHKYTMBVCBU-UHFFFAOYSA-N 300.340 -0.481 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 802035978 OXYBRQXLWRLLPJ-SECBINFHSA-N 303.322 -0.333 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CC2)s1 819136468 YHVRTUUMNTXYNX-UHFFFAOYSA-N 303.365 -0.043 50 20 DBGD COc1cc(C)nc(NNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 827289459 SWBOGMQBEGEEPN-IUCAKERBSA-N 324.341 -0.124 50 20 DBGD CO[C@@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C12CCC2 834954531 YWCQISBILGVTGY-PSASIEDQSA-N 303.384 -0.015 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cn1 853390693 ITDSWQRLYHSGIX-OLZOCXBDSA-N 318.381 -0.144 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 858571651 JCPIXARYMQAGST-CIUDSAMLSA-N 302.331 -0.850 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)CCc2ccccc2)O1 859006900 WLVYFELQILQIBL-NWDGAFQWSA-N 305.334 -0.201 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@@H](CO)[C@H](CO)C1 859447353 OHFCEOAGUBELNR-WOPDTQHZSA-N 301.387 -0.899 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)nn1C 863462930 OIRQTFIPARDRQO-UHFFFAOYSA-N 302.356 -0.651 50 20 DBGD Cc1ccn2ncc(C(=O)NNC(=O)CS(C)(=O)=O)c2c1 863463980 BOMZWAXOPCPCOS-UHFFFAOYSA-N 310.335 -0.552 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1cccc(C)c1 872382837 ZTNMWSUDBZKMER-UHFFFAOYSA-N 302.352 -0.032 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(C2CC2)CC1 913732737 IRFNMIQLKPQQLY-UHFFFAOYSA-N 308.382 -0.369 50 20 DBGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)c1cnccn1 1116025344 JBZAHYXSYDLDFZ-VIFPVBQESA-N 300.340 -0.390 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2ccc(CO)cc2)N1 1118806108 NUGJWNJGSZHIGP-GFCCVEGCSA-N 320.349 -0.670 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1118864755 IGGNHSUKMCXQNI-QCLAVDOMSA-N 319.383 -0.683 50 20 DBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccco1 1318688614 LABMUCJTPHZNQX-DTWKUNHWSA-N 315.351 -0.099 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNc3nccn(C)c3=O)nc2n1 1318975159 YROJUSWQFMUAHL-UHFFFAOYSA-N 314.309 -0.408 50 20 DBGD Cn1nccc1C(=O)NNc1nccc(N2CCOCC2)n1 1319163331 LFCNRCMIUJYZAJ-UHFFFAOYSA-N 303.326 -0.196 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1319519119 RIKWITYCUVDTKR-SECBINFHSA-N 302.356 -0.190 50 20 DBGD C[C@@]1(NNC(=O)NCCc2cnccn2)CCS(=O)(=O)C1 1319813621 ZYZXWLKAXMOXHZ-GFCCVEGCSA-N 313.383 -0.600 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 1324798961 NBMGXOCOYUPIDQ-ZETCQYMHSA-N 305.298 -0.867 50 20 DBGD Cn1cnnc1COCC(=O)NNc1nncc(N)c1Cl 1324995783 DKBXTWYRXWWCRG-UHFFFAOYSA-N 312.721 -0.499 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNCC(F)(F)C(F)(F)F 1329193318 ZIMUNMQWLPQXMT-UHFFFAOYSA-N 304.175 -0.643 50 20 DBGD CN(C)CC[C@H](N)C(=O)NNc1nc(-c2ccncc2)no1 1332742020 CXPHCTJGERJIOK-JTQLQIEISA-N 305.342 -0.146 50 20 DBGD CCOc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]n1 1333781050 XDRUSJBJDIKFCR-ZETCQYMHSA-N 316.339 -0.996 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)Cc1ccncc1 1339877481 BHGHHFQKSSHPIG-VIFPVBQESA-N 314.367 -0.612 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1ccccc1O)c1nnnn1C 1348018190 KMIIJMYDQCOHEX-ZETCQYMHSA-N 305.298 -0.379 50 20 DBGD CCN(CCO)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1578171158 SHVJWLWEZAFGSL-UHFFFAOYSA-N 306.330 -0.981 50 20 DBGD Cc1sc(CN)nc1C(=O)NNC(=O)[C@H]1COCCO1 1579934319 FVWCKQKBYZCVKG-SSDOTTSWSA-N 300.340 -0.913 50 20 DBGD Cn1c(CC(=O)NNC(=O)NCC2(N)CC2)nc2ccccc21 1579945022 YXFINLAXOXKOHB-UHFFFAOYSA-N 316.365 -0.063 50 20 DBGD NC[C@H](O)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1580328859 QFCOPURWABPURF-JTQLQIEISA-N 314.292 -0.380 50 20 DBGD CC(C)(C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccnc1 1588618378 HIGOMFIHTSLTEJ-UHFFFAOYSA-N 308.294 -0.930 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1cc(-c2nn[nH]n2)cc(N(C)C)c1 1590001642 ZIABUBMMVPXNJD-VIFPVBQESA-N 319.369 -0.110 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C(=O)O1 1590199436 KHUFRNCUYQTUDR-POYBYMJQSA-N 318.297 -0.408 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@H]1COCCO1)CC(=O)O 1590726483 MCILLNHNAKSIRI-MRVPVSSYSA-N 303.315 -0.767 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)c1cnc(C(=O)O)cn1 1610533917 OSTGWNIWVGUGKL-UHFFFAOYSA-N 301.262 -0.047 50 20 DBGD CC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793105909 GKNRNJZEAURNOP-IYKVGLELSA-N 318.801 -0.005 50 20 DBGD O=C(NCCc1cccc(F)c1)NNC(=O)C(=O)NC1CC1 45132954 OVTAYYBNNOFKDK-UHFFFAOYSA-N 308.313 -0.023 50 20 DBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)NCCCOC 68529602 BTQKKQDDBDUHKV-SECBINFHSA-N 303.363 -0.420 50 20 DBGD CNC(=O)NNC(=O)CCN1CCN(c2ccccn2)CC1 266901842 ZHRJHEPJJPDULU-UHFFFAOYSA-N 306.370 -0.446 50 20 DBGD O=C(CN1CC[C@H](CO)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 266967252 YQNPBKTXARGFNF-JTQLQIEISA-N 322.321 -0.330 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN1CSCC1=O)C1CC1 267595728 KMMFUHKYFHEGBB-ZETCQYMHSA-N 302.425 -0.187 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 288551797 WJIQLSJNSUBYGS-VHSXEESVSA-N 322.369 -0.201 50 20 DBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 298693904 ZYNNMVPGBJVLLD-NWDGAFQWSA-N 316.321 -0.152 50 20 DBGD COCC1(C(=O)NNC(=O)N2CCOCC2)CCOCC1 368257663 GTZYGNURMIBWFA-UHFFFAOYSA-N 301.343 -0.497 50 20 DBGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CO)C1 494538361 HKZPQCRVPHLRBU-SECBINFHSA-N 301.343 -0.227 50 20 DBGD Cc1c[nH]cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1=O 495105908 OZDZJMZLAKENDL-UHFFFAOYSA-N 324.337 -0.031 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@H](C1CC1)N1CCOCC1 584913469 XNFJBYUZOSCBHI-AWEZNQCLSA-N 304.155 -0.584 50 20 DBGD O=C(NCCOC[C@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584942669 VVCTUKDZCYNXHY-JTQLQIEISA-N 311.118 -0.712 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](c2nc[nH]n2)C1 585000280 JBGZPROONFPBSD-MRVPVSSYSA-N 304.090 -0.747 50 20 DBGD O=S1(=O)CCC(CNCc2ccc(B(O)O)cc2F)CC1 585031324 CQOZZRMIQWTLCR-UHFFFAOYSA-N 315.175 -0.580 50 20 DBGD CC(=O)N(C)CCCc1nc(-c2ccc(B(O)O)cc2)no1 585050489 APDKAFUIPFNECY-UHFFFAOYSA-N 303.127 -0.173 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C 733263494 FYGRVNKIRYDMCF-QMMMGPOBSA-N 303.322 -0.099 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@H](C)CN1CCOCC1 733744879 VFOIRVIULSEZDJ-LLVKDONJSA-N 319.427 -0.119 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COCc1ccccc1 737634434 DINCWBJMWYNTBJ-UHFFFAOYSA-N 300.336 -0.605 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)NCCCOC 746169230 VVUAAKMBMIKVNM-UHFFFAOYSA-N 324.403 -0.975 50 20 DBGD Cc1ncc(CO)c(C=NNC(=O)C(=O)N2CCCC2)c1O 748136429 IJFDMUHMXVCKCO-UHFFFAOYSA-N 306.322 -0.340 50 20 DBGD O=C(NNC(=S)NC[C@@H]1CCCCO1)N1CCOCC1 758215139 HBMAQPQAYKDALL-JTQLQIEISA-N 302.400 -0.024 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)c(O)c1O 780922673 XQHTWAPQRDIAFJ-UHFFFAOYSA-N 307.306 -0.210 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ncccc1C 791220621 JVRJHHXHULCAGT-LBPRGKRZSA-N 319.365 -0.040 50 20 DBGD CN(CC(=O)NNc1ccc(-n2ccnc2)nn1)C(=O)C1CC1 804958820 OHWSCKGOGOSLDP-UHFFFAOYSA-N 315.337 -0.026 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825770891 RRHFXHFUOJLQJC-NXEZZACHSA-N 300.359 -0.390 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826076172 OSLXBRKRXFALBI-RYUDHWBXSA-N 316.402 -0.290 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccn2nnnc2c1 831575509 MUUWBYBDLPKZAQ-UHFFFAOYSA-N 311.396 -0.404 50 20 DBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)[C@@H]1COCCO1 833015465 GAMHCXAKVXXDLZ-LBPRGKRZSA-N 324.337 -0.160 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCc1nc(O)cc(CN)n1 851680688 KBVFWGOFKSBPTG-UHFFFAOYSA-N 310.358 -0.093 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC(C)(C)O1 858699315 OBYJHGCSNMPMKI-SECBINFHSA-N 312.370 -0.105 50 20 DBGD Cc1cc(O)cc2c1C(=O)C(=NNC(=O)[C@@H]1CCC(=O)N1)O2 863146852 ZYCRACPYXOHLEF-QMMMGPOBSA-N 303.274 -0.016 50 20 DBGD CO[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F 865851136 JYSICUQOOCWGOG-VIFPVBQESA-N 309.024 -0.187 50 20 DBGD COC(OC)C(=O)NNC(=O)Cc1nc2ccccc2n1C 873789690 AZJSYDOSUFEOEK-UHFFFAOYSA-N 306.322 -0.118 50 20 DBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@H]1Br 912977270 HYCPXTSDBNEKDF-DGAHNEANSA-N 304.144 -0.414 50 20 DBGD C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@@H](B(O)O)C3)ncn2)C1 1118916858 YDGDSEAOWMCRQZ-SDDRHHMPSA-N 306.175 -0.263 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCc2nc(C)ncc2C1 1322254337 RJOFZIJFTQEETQ-SECBINFHSA-N 307.310 -0.854 50 20 DBGD N#CC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 1323023183 HDLKQQAVXJTPFC-QMMMGPOBSA-N 300.340 -0.802 50 20 DBGD CN(C)N(C(=O)c1cc2n(n1)CCO2)[C@H]1CCS(=O)(=O)C1 1347443226 XOSCUANJZGKJGZ-VIFPVBQESA-N 314.367 -0.619 50 20 DBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@]2(CCNC2)O1 1576791655 RLZXVYCUHGUGFE-MEBBXXQBSA-N 322.145 -0.902 50 20 DBGD O=C(O)C[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 1601893768 USHMOPMHIQWHAL-MRVPVSSYSA-N 312.326 -0.904 50 20 DBGD O=C1CC(C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)=NN1 1844223241 LPBWQZYFLLAEIW-SECBINFHSA-N 316.720 -0.400 50 20 DBGD CO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846401272 SDVVREHUJVQFLA-VHSXEESVSA-N 304.774 -0.176 50 20 DBGD O=C([C@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCO1 1847564088 QUNXCRUGVFAQGJ-YFKTTZPYSA-N 316.785 -0.033 50 20 DBGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)C2CC2)c1 55110219 RWRWPIHHGXIGKK-UHFFFAOYSA-N 313.335 -0.065 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2ccoc2)[nH]n1 153282737 JELQXCFLYUZHBA-MRVPVSSYSA-N 305.294 -0.109 50 20 DBGD COC(=O)NCC(=O)NNC(=O)CNc1cccc(OC)c1 264029127 RMTLGQSQWUJXQB-UHFFFAOYSA-N 310.310 -0.390 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccccc1F 264160757 SLBBIINYPIWDEQ-MRVPVSSYSA-N 317.342 -0.547 50 20 DBGD CNC(=O)NNC(=O)[C@H](Cc1ccccc1)n1nnnc1C 265434432 SVTKNMOXJQSBFY-NSHDSACASA-N 303.326 -0.274 50 20 DBGD COc1cccc(C(=O)NNC(=O)C2CN(C(C)=O)C2)c1O 276669859 URCDOQWTEZDEGT-UHFFFAOYSA-N 307.306 -0.360 50 20 DBGD O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(B(O)O)c1 584970912 VADMEDCXJDRUNE-HIFRSBDPSA-N 305.139 -0.566 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 584999510 CAHZSOIZEHWEEV-SDDRHHMPSA-N 307.130 -0.262 50 20 DBGD C[C@H](CO)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 585003504 RFNDHRHZTJACJB-SNVBAGLBSA-N 309.146 -0.014 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)o2)CCN1C1CCCCC1 585049184 CTIXYRIOJLAPHI-CYBMUJFWSA-N 306.171 -0.017 50 20 DBGD O=C(Cc1cnn(-c2ccccc2)n1)N1CC[C@H](B(O)O)C1 585074946 DSFHNELEJOZGCS-NSHDSACASA-N 300.127 -0.115 50 20 DBGD CC(C)NS(=O)(=O)c1cccnc1N1CC[C@H](B(O)O)C1 585078521 FXDTXSKONOFLMH-JTQLQIEISA-N 313.188 -0.179 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H](C)NC(C)=O)c1 728205925 LXVCKDXSKBUIQI-VIFPVBQESA-N 308.338 -0.221 50 20 DBGD CNC(=O)c1ccc(C(=O)NNc2nccc(OC)n2)cn1 728515475 CZEDHEDGJQZGMH-UHFFFAOYSA-N 302.294 -0.003 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1sccc1-n1cnnn1 731879055 DEMUORSRJDOHQE-UHFFFAOYSA-N 318.322 -0.170 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H]1C 739913919 TZWNETYPUADTNU-QWRGUYRKSA-N 319.427 -0.313 50 20 DBGD O=C(CS(=O)(=O)C1CCCC1)NNC(=O)N1CCOCC1 745985921 CPBDAQJAPSYNAN-UHFFFAOYSA-N 319.383 -0.583 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1 747382825 CPEANRDYMXKGCT-NSHDSACASA-N 315.337 -0.062 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](COC)C1CC1 750445206 FKCXREQBXJLKFK-MWLCHTKSSA-N 303.359 -0.207 50 20 DBGD CCn1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ccc1=O 756166496 PIVPRWJGYDSPRI-UHFFFAOYSA-N 304.310 -0.013 50 20 DBGD Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)NNC(=O)CO 764428160 CDOFXCWRMRRNFU-UHFFFAOYSA-N 318.289 -0.272 50 20 DBGD COC[C@@H](O)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 766149209 SKRGSLOZLWPWJI-LLVKDONJSA-N 310.306 -0.693 50 20 DBGD C[C@@H](O)C[C@@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 767028882 HQYNGMNFHFDXHD-GHMZBOCLSA-N 301.387 -0.348 50 20 DBGD CN(CC(=O)NNc1cccc(F)n1)[C@H]1CCS(=O)(=O)C1 804774461 LHPVJHITTIRRMN-VIFPVBQESA-N 316.358 -0.217 50 20 DBGD CN1CC[C@@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1=O 805143522 KXOXPZCCFYVQGI-SECBINFHSA-N 316.325 -0.481 50 20 DBGD COCCOCC(=O)NNC(=O)COc1ccccc1C#N 811956915 QHQUUOYTOAHPAU-UHFFFAOYSA-N 307.306 -0.253 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 821783042 BWNIALVZFRAFBB-NKWVEPMBSA-N 310.276 -0.007 50 20 DBGD CCN(CCO)NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 823865140 KKBMZIXWFLYJNW-UHFFFAOYSA-N 317.386 -0.032 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)NC2CN(C(=O)O)C2)cc1 831122984 YKPCUCCIDQIREH-UHFFFAOYSA-N 303.278 -0.136 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)NC1CCCCC1 833120956 KHVDCGAFEFSWMX-UHFFFAOYSA-N 310.314 -0.361 50 20 DBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842590331 OEUHVWVQOALSHE-BDAKNGLRSA-N 302.356 -0.537 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843647731 NNABYTHMLJQQCM-CBAPKCEASA-N 311.298 -0.328 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)[C@H]2CCCCO2)n1 854682494 BVSVKWBMKJTCLO-SECBINFHSA-N 310.358 -0.313 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 856790863 CXNPPRGCGMSVKX-ZJUUUORDSA-N 320.349 -0.234 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCN(CC3CC3)C2)N1 858235176 METHEIWFLXLWEO-WDEREUQCSA-N 309.370 -0.920 50 20 DBGD O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)[C@H]1CCC(=O)N1 862458967 KVNHEUKQBSLJPL-LLVKDONJSA-N 301.306 -0.469 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1C#N 863413035 QRJSDWBUAMKXLH-NSHDSACASA-N 322.346 -0.545 50 20 DBGD O=C1CSCN1Cc1nc(-c2cccc(B(O)O)c2)no1 863893228 RHLKWMMCJLBYQN-UHFFFAOYSA-N 305.124 -0.551 50 20 DBGD CC(C)[C@@H](C(=O)NN(C)C[C@@H](C)O)N1CCCS1(=O)=O 910159681 AXBUQTJEUKPTDJ-MNOVXSKESA-N 307.416 -0.610 50 20 DBGD C[C@@H]1NC(C(=O)NN(C)C[C@@H](C)O)=NN(c2ccccc2)C1=O 910172627 DMWCCJRUFSQKLU-MNOVXSKESA-N 319.365 -0.331 50 20 DBGD CS(=O)(=O)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)s1 1118949820 YKCKBIXIYMGWCU-QMMMGPOBSA-N 315.376 -0.120 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)c1cccn2c(O)nnc12 1256497260 WCIMPRWGEXEERO-UHFFFAOYSA-N 318.215 -0.059 50 20 DBGD CCOC1(C(=O)NNC(=O)COCCOC)CCOCC1 1261880094 PQFPPOLWWFVDOQ-UHFFFAOYSA-N 304.343 -0.618 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cncnc1 1320467672 CALGYMHQSAMBEH-UHFFFAOYSA-N 300.278 -0.937 50 20 DBGD CC(C)(C)n1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1 1324493804 WGNWHGJOWBVKOT-SECBINFHSA-N 313.383 -0.082 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1C 1329569951 NVWKLZHDUKIPAR-IONNQARKSA-N 302.356 -0.537 50 20 DBGD O=C(NNC(=O)N1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1 1329758904 LZULABCMERMGAY-UHFFFAOYSA-N 320.231 -0.572 50 20 DBGD COC/C(C)=C\C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1332573771 XQGPAWVGCHYMTN-BZJXQOFCSA-N 305.356 -0.903 50 20 DBGD O=C(c1cc(N2CC[C@@H](B(O)O)C2)ccn1)N1CCOCC1 1337601078 DPQXRNMLMLFGQM-LLVKDONJSA-N 305.143 -0.393 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(N2CCOC2=O)cc1 1339395678 BTPAIPRRMKPZEO-UHFFFAOYSA-N 314.323 -0.235 50 20 DBGD CC(C)(C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)S(C)(=O)=O 1549321818 VCNJPDORYZWGOW-MNOVXSKESA-N 317.411 -0.225 50 20 DBGD O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)[C@H]1CCC(=O)N1 1574513903 OEYJHJAXFXIOMA-IBDUZEINSA-N 307.262 -0.583 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCCCO2)CO1 1574685864 GPLYUSWGQHRHHZ-GMTAPVOTSA-N 314.338 -0.027 50 20 DBGD C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCNC1=O 1590068158 CPULNKDPJVPUPD-CYBMUJFWSA-N 301.310 -0.164 50 20 DBGD O=C(NCC1(C(=O)O)CCOCC1)NNC(=O)c1cn[nH]c1 1594742283 CHYYWCBZBWGSGV-UHFFFAOYSA-N 311.298 -0.765 50 20 DBGD CCNC(=O)N(C)NC(=O)COCc1ocnc1C(=O)O 1596463174 RRDIORBAEVOSLD-UHFFFAOYSA-N 300.271 -0.418 50 20 DBGD N#Cc1ncn(CC(=O)NNc2ccc(CC(=O)O)cc2)n1 1601135402 UJDYSFUJBWTTTK-UHFFFAOYSA-N 300.278 -0.080 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 1603762028 VBKZYMRRJWGVDB-UHFFFAOYSA-N 310.310 -0.145 50 20 DBGD O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)COCCO)C1 1845211910 ZKAMFYJCBSRMNH-JTQLQIEISA-N 308.737 -0.267 50 20 DBGD C[C@@]1(NS(=O)(=O)CBr)CCS(=O)(=O)C1 127246048 HDTMWIXRUNCMHC-ZCFIWIBFSA-N 306.203 -0.165 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(F)c1 264111957 JLDMDFNNRSMBES-SSDOTTSWSA-N 318.330 -0.084 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)Cn1cnc2ccccc21 264855564 OCYJHIHQLJDVHN-UHFFFAOYSA-N 324.362 -0.382 50 20 DBGD CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)[C@H](C)CO 292292407 UGZOIHWPYMARAE-SNVBAGLBSA-N 314.411 -0.156 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 368264427 OYTASZTZLMGVPV-ZDUSSCGKSA-N 319.361 -0.393 50 20 DBGD CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(B(O)O)cc1 584941300 AWHZVGXLWBPVEZ-OAHLLOKOSA-N 320.198 -0.451 50 20 DBGD O=C(NCCCO[C@@H]1CCOC1)c1cc(B(O)O)ccc1F 584957904 JYQOCCIMDQKYHE-LLVKDONJSA-N 311.118 -0.569 50 20 DBGD NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584962968 NQNGTSJWXOARHX-PSASIEDQSA-N 308.118 -0.721 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN1CC(C)(C)O 584979122 LHOVVETVBGFHKX-LBPRGKRZSA-N 320.198 -0.716 50 20 DBGD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(B(O)O)ccc1F 584980097 QDICVYBMSVRCOF-FWDPORAESA-N 320.129 -0.769 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@H]1[C@@H]1CCCO1 584988022 BEMPFXNZDNSMBD-KGLIPLIRSA-N 305.139 -0.614 50 20 DBGD O=C(CCCNCc1ccccc1B(O)O)Nc1cn[nH]c1 585027612 CGNDJIWTLHUXJB-UHFFFAOYSA-N 302.143 -0.402 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 752284378 IRIJUAWVDVYMDH-MRVPVSSYSA-N 313.335 -0.714 50 20 DBGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNc2ccccn2)C1 753106894 ZUKXVLCHBMKMAK-SNVBAGLBSA-N 313.383 -0.011 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCC[C@@H](C)C1 758056963 UREHRHUKTGZJQP-UTLUCORTSA-N 305.400 -0.102 50 20 DBGD CN1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 764345817 XFLJVUDFACYFMK-LBPRGKRZSA-N 319.365 -0.557 50 20 DBGD CC(=O)N1CC(C(=O)NNc2ccc(-n3ccnc3)nn2)C1 788179768 ZKIZAYYPUYPWKW-UHFFFAOYSA-N 301.310 -0.416 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1[nH]nnc1-c1ccccc1 797702204 URGOQAKLOYVFEZ-UHFFFAOYSA-N 316.321 -0.243 50 20 DBGD COC(=O)N(C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 804123978 RCNORMKAGOQQBL-UHFFFAOYSA-N 315.351 -0.004 50 20 DBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNc1ncncc1F 814310866 YTMGOUWJVRWAIK-SNVBAGLBSA-N 311.365 -0.122 50 20 DBGD Cc1cc(CC(=O)NNC(=O)CNC(=O)c2cccs2)n[nH]1 823966423 OGSZFNWNFYTQAX-UHFFFAOYSA-N 321.362 -0.100 50 20 DBGD O=C1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)N1 825421939 ILLDQCZKJWHOIK-NSHDSACASA-N 324.362 -0.541 50 20 DBGD CCCN1C[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)CC1=O 840668477 SWYJKAHLFJNVLP-VHSXEESVSA-N 313.354 -0.266 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(OCCCN)CC1 843356145 RRHFPPVDVDFLEQ-LLVKDONJSA-N 300.403 -0.238 50 20 DBGD CSC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858404052 FNLAOPSLAXBUHQ-MRVPVSSYSA-N 300.384 -0.119 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOCC2CCCC2)N1 858528205 DVGSJVFKSCHINQ-NSHDSACASA-N 312.370 -0.198 50 20 DBGD COCCOc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 862462137 VCBYOJYVEMIMCD-SNVBAGLBSA-N 322.321 -0.854 50 20 DBGD CCc1ccccc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863414278 YSNMFHCNHOPIBU-JTQLQIEISA-N 311.363 -0.163 50 20 DBGD CO[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)C(F)(F)F 863467400 VQABUOOIYWMESO-YFKPBYRVSA-N 306.262 -0.854 50 20 DBGD COC(=O)N1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 863871449 NYODLSDLTXIRLR-UHFFFAOYSA-N 324.117 -0.534 50 20 DBGD O=C(NNC(=O)c1cccc(C#CCO)c1)C(=O)N1CCCC1 900454158 KSMWXKDWDRXVRL-UHFFFAOYSA-N 315.329 -0.586 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)Cc1ccc(F)cc1 1115894334 CCCUFKVDHNQGHI-UHFFFAOYSA-N 311.313 -0.332 50 20 DBGD NC(=O)c1csc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1251402076 KLHQOCBOMIYADQ-UHFFFAOYSA-N 310.335 -0.770 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-n2cncn2)nc1 1320113442 NEOUMEXBPFYSOW-UHFFFAOYSA-N 312.293 -0.611 50 20 DBGD COCC[C@@H](Cc1ccco1)NC(=O)NNC(=O)C(=O)OC 1320203373 XPCUWLUOXSKGSJ-VIFPVBQESA-N 313.310 -0.269 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 1321140183 GWOBJBCPKOMGOS-UHFFFAOYSA-N 316.317 -0.532 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 1330489384 OYSTYJKTEIRWSK-LURJTMIESA-N 313.314 -0.069 50 20 DBGD O=C(NNC(=O)C1CC2(CC2)C1)N[C@H]1CCS(=O)(=O)C1 1347381358 SGAWDPPHLIBAGX-VIFPVBQESA-N 301.368 -0.306 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cn([C@H]2CCCNCC2)nn1 1575379090 WMNZZLBZSJQXDO-VIFPVBQESA-N 310.358 -0.875 50 20 DBGD O=C(CNCC1CC1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1580555895 HEQDGRGLLZWUSZ-ZDUSSCGKSA-N 310.398 -0.613 50 20 DBGD Cn1c(C(=O)NNC(=O)c2cccnn2)ccc1-c1nn[nH]n1 1581752111 LOHNILAWQVWDAT-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD O=C1NCCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1593409474 YZMVKRWKEATVNC-SNVBAGLBSA-N 301.310 -0.164 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 1601313352 NXDINJGHUYQCGT-NXEZZACHSA-N 311.338 -0.353 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)C(=O)O)C[C@@H](C)O1 1610100763 KYXSANYJHSXCKR-OPRDCNLKSA-N 301.343 -0.646 50 20 DBGD C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982511 GFACHEAMZGENCI-LSCVPOLPSA-N 316.785 -0.248 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)C(=O)N(C)C)n1 46969952 SRXIAUGLOZPWMZ-SNVBAGLBSA-N 310.358 -0.693 50 20 DBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)c1ccc[nH]1 120490669 FKXSKTRSDYBAGE-UHFFFAOYSA-N 305.294 -0.132 50 20 DBGD CN(CC(=O)NNc1nnc(C2CC2)s1)S(C)(=O)=O 273550939 BVIWQWAGKRRREK-UHFFFAOYSA-N 305.385 -0.250 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)n1 279744557 BIPCVUVHSDOCLT-BXKDBHETSA-N 320.349 -0.573 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCN1C(=O)C1CC1 404993516 FGCSOTRMRAVROY-CYBMUJFWSA-N 302.139 -0.294 50 20 DBGD CCOC(=O)NNC(=O)[C@H](C)[C@@H](C)C(=O)NNC(=O)OCC 497234227 VTVSRKSFRMBHOI-HTQZYQBOSA-N 318.330 -0.187 50 20 DBGD CCNC(=O)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584939653 LKCFRAGYUOJHBO-UHFFFAOYSA-N 322.145 -0.506 50 20 DBGD C[C@@H](CN1CCOC[C@@H]1C)NC(=O)c1ccc(B(O)O)c(F)c1 584942031 QEFMJMZYTFIUES-QWRGUYRKSA-N 324.161 -0.656 50 20 DBGD CC(=O)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C)C1 584959026 BFAPNXQMWIHMCB-VIFPVBQESA-N 308.118 -0.802 50 20 DBGD O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccc(B(O)O)c(F)c1 584962117 ARKXTQQGGYCINO-SNVBAGLBSA-N 303.102 -0.484 50 20 DBGD CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cccc(B(O)O)c1 584978566 ABWJVUFABDNTIN-HNNXBMFYSA-N 304.155 -0.503 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H]1c1ncon1 584993549 ZSUGXHITXGIOHW-LLVKDONJSA-N 305.074 -0.134 50 20 DBGD Cn1nccc1N1CCC[C@@H](NCc2ccccc2B(O)O)C1 585038484 GMRMFCIETROTSV-CQSZACIVSA-N 314.198 -0.142 50 20 DBGD NC(=O)NCCCCc1nc(-c2ccc(B(O)O)cc2)no1 585051091 UFCRAFGJNOQHFH-UHFFFAOYSA-N 304.115 -0.593 50 20 DBGD COc1cc(Cl)ccc1C(=O)NNC(=O)C1=NNC(=O)C1 732261359 HPTWCYNWOISTHW-UHFFFAOYSA-N 310.697 -0.015 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc21 733215412 QBTNWPDZUWJWRA-GXSJLCMTSA-N 324.358 -0.255 50 20 DBGD CC(C)NC(=O)C(=O)NN=C1CCCC[C@H]1S(C)(=O)=O 741462793 VGSYPZJMZQJZIE-SNVBAGLBSA-N 303.384 -0.030 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)c1ccco1 758024324 CAYZERXAOGNCJJ-YUMQZZPRSA-N 303.340 -0.532 50 20 DBGD COc1nccnc1NNC(=O)c1ccc2nnc(O)n2c1 764469920 NORYTCIPQHGDII-UHFFFAOYSA-N 301.266 -0.010 50 20 DBGD CSCCNC(=S)NNC(=O)CN1CCCNC1=O 770241013 STYYYTRPYMIZFE-UHFFFAOYSA-N 305.429 -0.740 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 770781429 MMBWMRXXOQVFOX-UHFFFAOYSA-N 321.268 -0.910 50 20 DBGD CN(NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(N)=O 778418090 IRDGRNAPJHQKKO-UHFFFAOYSA-N 322.369 -0.013 50 20 DBGD O=C(CC1OCCO1)NNC(=O)c1ccc(-n2cnnn2)cc1 792822591 MMHFKEUISROEOX-UHFFFAOYSA-N 318.293 -0.814 50 20 DBGD CN(C)N(C(=O)CCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 792856432 YQLVMTSFYSWQLN-GFCCVEGCSA-N 319.427 -0.799 50 20 DBGD O=C(CN1CC[C@](F)(CO)C1)NNC(=O)c1cccs1 802014463 OTVWCKUELQPRHP-GFCCVEGCSA-N 301.343 -0.085 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1cccc(F)n1 805273264 KGCQICRMDGKGFJ-UHFFFAOYSA-N 307.289 0.000 50 20 DBGD CC(C)n1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1 807970591 PGTMBVMBRGNDOK-MRVPVSSYSA-N 302.360 -0.753 50 20 DBGD O=C(NNC(=O)[C@H]1CCCSC1)N[C@@H]1CCS(=O)(=O)C1 810581323 NIFMLEJCFDFGGT-DTWKUNHWSA-N 321.424 -0.353 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(Cc2cn[nH]c2)CC1 823003021 JSIBAHRAAJEMEX-UHFFFAOYSA-N 314.154 -0.953 50 20 DBGD CN(NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1CC1 824217679 BSCQZLCHZRBRBI-UHFFFAOYSA-N 322.369 -0.127 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCOCC1 825535027 XXDAWAYJJBGYLX-GHMZBOCLSA-N 300.359 -0.926 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cc2cccn2cn1 828346465 BYEOCLCOPOGFHX-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 854290896 IOFRJYZQZVLGCK-HBNTYKKESA-N 324.381 -0.647 50 20 DBGD C[C@H]1CC2(CCOCC2)CN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702422 JNADFJLYXXSWKL-WDEREUQCSA-N 324.381 -0.103 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cnc3c(c2)COCC3)N1 860893200 WDYLQHSQIDNCJD-NSHDSACASA-N 319.321 -0.414 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cc3n(n2)CCCC3)N1 861110171 VOVSTNZZUQTUDQ-VIFPVBQESA-N 306.326 -0.349 50 20 DBGD NC(=O)NC(=O)c1cccc(NCc2ccc(B(O)O)cc2)c1 864036624 UBWLDVOZXAJKIX-UHFFFAOYSA-N 313.122 -0.213 50 20 DBGD Cc1ccc(C(=O)NNC(=S)NCC(=O)N(C)C)cc1O 905539784 ZPZLVAMEUFFSPF-UHFFFAOYSA-N 310.379 -0.102 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 910160880 PIWYAHHVBXMQIL-WDEREUQCSA-N 317.386 -0.034 50 20 DBGD CC[C@@H](CN1CCOCC1)NC(=O)c1cc(B(O)O)ccc1F 928635661 NIAOSBVCVZPROB-LBPRGKRZSA-N 324.161 -0.654 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1cccnc1)N1CCN(C)CC1 1116054743 BVPUNKFRGXPOJY-LBPRGKRZSA-N 305.382 -0.593 50 20 DBGD CN(C)S(=O)(=O)c1cc(C(=O)NNc2ncccn2)n(C)c1 1116494279 CPJSDIKVIWPDLX-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD CCc1ncsc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 1116621270 WTPJKJQISVKVHX-UHFFFAOYSA-N 322.350 -0.243 50 20 DBGD CC(CC(=O)NNC(=O)N(C)C)CC(=O)NNC(=O)N(C)C 1116800992 OUFBGAOTTGBENB-UHFFFAOYSA-N 316.362 -0.993 50 20 DBGD Cc1cncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1 1118140150 BITJGBIIPXEGJW-GXSJLCMTSA-N 306.322 -0.099 50 20 DBGD O=C(NCCN1CCCOCC1)NNC(=O)C1CCOCC1 1262031769 BFSVNIAEKJBWLF-UHFFFAOYSA-N 314.386 -0.534 50 20 DBGD O=C(O)[C@H](CC1CCOCC1)NCc1ccc(B(O)O)cc1 1262158147 YVEYHZJMPPIJMF-AWEZNQCLSA-N 307.155 -0.274 50 20 DBGD Cc1nccn1CCCCNC(=O)NNC(=O)C(=O)NC1CC1 1318834183 PSGFAPRQUBOMNJ-UHFFFAOYSA-N 322.369 -0.419 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 1320349188 VQSPVBISRIUSPO-UHFFFAOYSA-N 308.319 -0.163 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)c(O)n1 1321141222 ZWDNBXUZRAQFEB-UHFFFAOYSA-N 303.278 -0.177 50 20 DBGD O=C(NC[C@@H]1CCCSC1)NNC(=O)C(=O)NC1CC1 1323447502 QKKPMPOJOADMSH-QMMMGPOBSA-N 300.384 -0.261 50 20 DBGD COCCc1noc(CN(C)CC(=O)NNC(=O)C2CC2)n1 1324255850 UMTKUTDRHYZJET-UHFFFAOYSA-N 311.342 -0.752 50 20 DBGD CCCn1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)nn1 1324644473 MOJUTRJLDMGRSJ-SNVBAGLBSA-N 315.399 -0.206 50 20 DBGD NC(=O)Cn1cc(NC(=O)C(=O)NNc2ccccc2)cn1 1325241370 UTLDHIXGDPHMQB-UHFFFAOYSA-N 302.294 -0.550 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H](n3cccn3)C2)N1 1329191019 KWMNNFKOUNZYNK-VHSXEESVSA-N 306.326 -0.851 50 20 DBGD CCOCC(=O)NNC(=O)NCc1nc(C(N)=O)cs1 1330167068 BHKVLBPIZXKNGA-UHFFFAOYSA-N 301.328 -0.891 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCCC23CCOCC3)N1 1331532463 IDEORTNAXAYSNG-WDEREUQCSA-N 324.381 -0.055 50 20 DBGD Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331804033 RROZXPXWYKEKCA-WRWORJQWSA-N 307.354 -0.369 50 20 DBGD NS(=O)(=O)C[C@H]1CCN(S(=O)(=O)CCCCl)C1 1334318463 DHGRXKJGEJINEF-QMMMGPOBSA-N 304.821 -0.445 50 20 DBGD C=CC(=O)N(C)CC(=O)NNc1nc(O)c2cnn(C)c2n1 1348188647 MXBOEEHAJUPGNP-UHFFFAOYSA-N 305.298 -0.844 50 20 DBGD Cc1cn2c(=O)c(C(=O)N3CC[C@@H](B(O)O)C3)cnc2s1 1348490775 UTEPDNADAHHCTL-MRVPVSSYSA-N 307.140 -0.247 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(C(=O)O)CCOCC2)ccc1=O 1574450397 YYKVODCCLVAHTP-UHFFFAOYSA-N 323.305 -0.972 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CNCC2(C)C)ccc1=O 1579953205 NURUIRXAELELTD-JTQLQIEISA-N 307.354 -0.673 50 20 DBGD O=C(CN1C[C@@H]2C[C@H]1CN2)NNC(=O)c1cccc([N+](=O)[O-])c1 1580551551 MVIYHBWKPMXQDN-JQWIXIFHSA-N 319.321 -0.598 50 20 DBGD CSCCNC(=S)NNC(=O)c1cc(C(=O)O)no1 1599800723 HADXLDWZOLMVDN-UHFFFAOYSA-N 304.353 -0.155 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CNC(C)(C)C(=O)O)n1 1605381588 ZRUBOSVDNOPSNI-UHFFFAOYSA-N 314.367 -0.406 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1cccc2cccnc12 1608754558 OPGGGSMTTJKNSD-UHFFFAOYSA-N 324.318 -0.188 50 20 DBGD CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847438232 PZRHCZXRSMEGMD-DCAQKATOSA-N 316.833 -0.261 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 5278251 YPAPCXYURZIUMM-UHFFFAOYSA-N 300.296 -0.204 50 20 DBGD O=C(COc1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9930850 QVVVBWKUAOPOGG-SNVBAGLBSA-N 312.347 -0.353 50 20 DBGD O=C(NCc1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 25115724 BSFJNFFOONEFPC-LLVKDONJSA-N 311.363 -0.048 50 20 DBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC)cc1 56375370 DPZARAWJSOZCKF-UHFFFAOYSA-N 310.335 -0.828 50 20 DBGD CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CBr 127077263 AYYMIJMGSGGJCH-LURJTMIESA-N 306.203 -0.213 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1cccc(OC)c1O 265598672 CZNWQTLXAHQNSS-UHFFFAOYSA-N 304.324 -0.389 50 20 DBGD C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NN 270185925 ARGXOATWVXFQLL-MRVPVSSYSA-N 315.351 -0.495 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1ccc[nH]1 279674010 DHFNQUCXJLOYGB-OAHLLOKOSA-N 318.333 -0.303 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2n1 295713015 KAMDLHQJDDNPEF-VIFPVBQESA-N 305.294 -0.419 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ccc(Cl)nc1)S(C)(=O)=O 298793957 NAJXLJVYMVEZDF-LURJTMIESA-N 305.743 -0.071 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 363850650 DJEAYAALNOBMLN-TUAOUCFPSA-N 324.381 -0.103 50 20 DBGD Cn1cc(N2CCN(C(=O)c3cccc(B(O)O)c3)CC2)cn1 584956255 ZGQKBXRLVGLQQC-UHFFFAOYSA-N 314.154 -0.938 50 20 DBGD CC(C)CN1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C)C1=O 584975646 XEDSTHGKWMONEW-LBPRGKRZSA-N 318.182 -0.305 50 20 DBGD Cc1cc(NCCNC(=O)c2cccc(B(O)O)c2)n(C)n1 584982030 CBNBSLUEJCDARQ-UHFFFAOYSA-N 302.143 -0.750 50 20 DBGD C=CCC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584986010 UYEXDKITDAZHHB-UHFFFAOYSA-N 320.129 -0.634 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](c2nc[nH]n2)C1 585000281 JBGZPROONFPBSD-QMMMGPOBSA-N 304.090 -0.747 50 20 DBGD CN(C)C(=O)[C@@H](NCc1ccc(B(O)O)o1)c1ccccc1 585020310 RXWLBSHRYSBSGE-AWEZNQCLSA-N 302.139 -0.122 50 20 DBGD COCCn1cc2c(n1)[C@@H](NCc1ccc(B(O)O)o1)CCC2 585033650 ACGYEKAZJRHCIO-ZDUSSCGKSA-N 319.170 -0.031 50 20 DBGD CS(=O)(=O)CCCCCNCc1ccc(B(O)O)cc1F 585036827 QFOQUBQCRLMWRW-UHFFFAOYSA-N 317.191 -0.190 50 20 DBGD Cc1cc(NNC(=O)c2cn(C)c(=O)n(C)c2=O)nc(C)n1 736711830 QLTFTQILGGFGAG-UHFFFAOYSA-N 304.310 -0.752 50 20 DBGD O=C(NNC(=O)[C@@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 746103067 OHBLMMYBKFSBOU-MNOVXSKESA-N 312.347 -0.698 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCC(C)(C)C1 758024443 GBBITFLDXOFIBE-IUCAKERBSA-N 305.400 -0.102 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@H]1CN2CCCN1CC2 763497446 QOBOSBJRFIMESO-CQSZACIVSA-N 317.393 -0.364 50 20 DBGD COCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CCOCC1 780225977 QYDYETZSXMZWGH-VIFPVBQESA-N 321.399 -0.531 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C2(S(C)(=O)=O)CC2)n1 792020596 DZINJYMVSIXDDE-UHFFFAOYSA-N 314.367 -0.775 50 20 DBGD C=CCNC(=O)CNC(=O)NNc1ccc(-n2ccnc2)nn1 805270833 REAAHWYFCMDTJU-UHFFFAOYSA-N 316.325 -0.409 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccoc1 822645589 GLCGADYZUPTWDR-UHFFFAOYSA-N 301.266 -0.127 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 826744451 KQBWTOHDGFSVEH-IONNQARKSA-N 300.315 -0.808 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1nccnc1Cl 846634669 DEIHBKZDWSTNHH-UHFFFAOYSA-N 323.744 -0.032 50 20 DBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 857271665 UUXWRTWZEOHSRT-ZCFIWIBFSA-N 306.248 -0.331 50 20 DBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 862993090 MDGSNGLJIDMQKK-UWVGGRQHSA-N 317.411 -0.559 50 20 DBGD Cc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1F 863413467 QWZPNKQGVOVEJV-QMMMGPOBSA-N 315.326 -0.278 50 20 DBGD C[C@@H](OCc1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 863460394 VHAAPJIFIJZIAC-SNVBAGLBSA-N 314.363 -0.216 50 20 DBGD CC(=O)NC[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 863890925 SXINPPJOSZTOCY-GFCCVEGCSA-N 322.145 -0.364 50 20 DBGD CONC(=O)C1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 879923775 CUWIEBDVFURZML-UHFFFAOYSA-N 314.386 -0.431 50 20 DBGD CCCN1CCC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1 913729552 RLVMQHMDZAROHJ-LBPRGKRZSA-N 310.398 -0.122 50 20 DBGD C[C@H](C(=O)NNc1ccccc1S(N)(=O)=O)S(C)(=O)=O 1256185417 UZQYMQDYDQNWPC-SSDOTTSWSA-N 321.380 -0.790 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)C2CCC2)cn1C 1320358416 UQAWTTUKGTYOBU-UHFFFAOYSA-N 322.321 -0.302 50 20 DBGD CCNC(=O)CCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1324797041 CITGUZSVNXWZGV-NSHDSACASA-N 319.427 -0.215 50 20 DBGD C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 1330437429 ULVULBYZUCIKJE-XCBNKYQSSA-N 305.338 -0.498 50 20 DBGD C[C@H](C(=O)NNc1ncncc1F)n1cnc(-c2nn[nH]n2)n1 1589003164 QTCYTFFNFUFQJE-RXMQYKEDSA-N 319.264 -0.908 50 20 DBGD CC[C@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(=O)O 1589538249 FXHAWJOXDQDMPJ-LDYMZIIASA-N 307.372 -0.522 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccnnc1 1591784880 YHNNXTRATCSURT-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCCO2)ccc1-c1nn[nH]n1 1592349115 CPCOKIFYBHLYTG-SNVBAGLBSA-N 317.309 -0.490 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccccc1C(=O)O 1599747328 PRCMARYZGRHDGR-UHFFFAOYSA-N 300.292 -0.810 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccsc2CC(=O)O)nn1 1600932713 QXABHOAYCIIMEH-UHFFFAOYSA-N 309.307 -0.422 50 20 DBGD O=C(O)[C@H](Cc1ccncc1)NCc1cccc(B(O)O)c1 1605903883 OFGIMJAYFSKVSV-AWEZNQCLSA-N 300.123 -0.453 50 20 DBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)NC1CC1 138678647 VNUODSRNXHYWMS-NXEZZACHSA-N 308.338 -0.346 50 20 DBGD Cn1cnn(CC(=O)NN=c2sc3ccccc3n2C)c1=O 255598162 NRBGAEZZBVBNKN-UHFFFAOYSA-N 318.362 -0.233 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 272680108 NEIIJUMGCQCWIJ-UWVGGRQHSA-N 310.354 -0.146 50 20 DBGD O=C(CS(=O)(=O)C1CCCC1)Nc1cccc(B(O)O)c1 584910125 MWYCXEAEVFRXTE-UHFFFAOYSA-N 311.168 -0.338 50 20 DBGD CC1(C)CCC(NC(=O)c2cccc(B(O)O)c2)(C(N)=O)CC1 584968150 TTWMZMNSUWQGKH-UHFFFAOYSA-N 318.182 -0.080 50 20 DBGD O=C(NCCCCn1ccnn1)c1cc(B(O)O)ccc1F 584974650 WUNOVXKVTUCWNN-UHFFFAOYSA-N 306.106 -0.693 50 20 DBGD Cc1cc(NCCNC(=O)c2ccc(B(O)O)cc2)n(C)n1 584984857 ZMSNVYBPJVKHJK-UHFFFAOYSA-N 302.143 -0.750 50 20 DBGD Cn1cncc1[C@H]1C[C@H](NCc2ccc(B(O)O)o2)CCO1 585037500 ZUFDEWWAZWOKNK-ZWNOBZJWSA-N 305.143 -0.297 50 20 DBGD O=C(NNC(=O)[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 728383872 FPAXADWDLYZSJP-SFYZADRCSA-N 324.449 -0.583 50 20 DBGD CCN(CC(=O)NC)CC(=O)NNC(=O)c1ccc(C)cc1 741787789 UAIPHDYOXJZNMM-UHFFFAOYSA-N 306.366 -0.176 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)N1CCOCC1 745995801 BYCCHUIJVRHTKB-LLVKDONJSA-N 312.370 -0.150 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCOc2ncccc2F)cn1 746795599 IUQIAHOVGRTZMF-UHFFFAOYSA-N 322.300 -0.023 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1c1ncccn1 747349981 OGTNDWRMLQHJLS-SNVBAGLBSA-N 320.353 -0.883 50 20 DBGD NC(=O)c1cccc(OCCC(=O)NNC(=O)c2cnn[nH]2)c1 751375654 NCKXHWGMAVHAQL-UHFFFAOYSA-N 318.293 -0.866 50 20 DBGD CC[C@H](C)n1nc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1C 764211869 LXQLYJCTJWHJPP-VIFPVBQESA-N 324.385 -0.190 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)NCCc2cccs2)CC1 767328607 VCLWQXPYANLOIU-UHFFFAOYSA-N 311.367 -0.178 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](O)C1CC1 767334758 GIUITWBDKBZPKO-OAHLLOKOSA-N 320.345 -0.001 50 20 DBGD C#C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)[C@H]1CCCO1 776225633 QHUHMUVLCBNEPN-DMDPSCGWSA-N 315.395 -0.452 50 20 DBGD COCCC(COC)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 812227157 SNYNTQXCIGQTIK-JTQLQIEISA-N 307.372 -0.488 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1(C)COC(C)(C)OC1 822232435 JAJUKICLVVQOMR-UHFFFAOYSA-N 301.343 -0.552 50 20 DBGD CCN1C[C@H](CNC(=O)NNc2nccc(OC)n2)CC1=O 845491019 BKHBDJFXODPOCB-VIFPVBQESA-N 308.342 -0.020 50 20 DBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CN(C)C)c(OC)c1 861338363 OMADSCSNVVENFG-UHFFFAOYSA-N 323.353 -0.231 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCCN21)C(=O)N1CCCC1 900455052 QPSVOMOYKHSDBN-RYUDHWBXSA-N 308.382 -0.227 50 20 DBGD O=C(CN1C(=O)COc2ccccc21)NNC(=O)[C@H]1CCOC1 921207546 LLRZOUVOYXNCJW-JTQLQIEISA-N 319.317 -0.404 50 20 DBGD CCCNC(=O)NNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1116288020 AYPJONGQKNLKKK-SECBINFHSA-N 321.399 -0.291 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 1116395814 QZZYBGOKCKHGQJ-VIFPVBQESA-N 313.335 -0.254 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccc(N2CCNC2=O)c1 1116801736 LECUSGXIBHNEQN-UHFFFAOYSA-N 306.322 -0.252 50 20 DBGD Cc1ccoc1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1118545121 IRUKMOWKNGGPRA-VIFPVBQESA-N 300.336 -0.287 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1C(N)=O 1255640502 FZQBQAMQZWZKJZ-QMMMGPOBSA-N 312.351 -0.827 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC[C@@H]2C[C@@H](C)CN2C1 1263702058 AFXRCNPMKOQHLG-GRYCIOLGSA-N 310.398 -0.221 50 20 DBGD NC(=O)Cn1cc(NC(=O)C(=O)NNc2cccc(F)c2)cn1 1321622989 QHPJWWGQVPQTQP-UHFFFAOYSA-N 320.284 -0.411 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)n1C 1324925191 SZJHROLPTZJBJB-UHFFFAOYSA-N 310.310 -0.903 50 20 DBGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1325975304 JENFRSFOUHKICD-UWVGGRQHSA-N 314.386 -0.096 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1330945440 PSOCWIRXIJWEFQ-UHFFFAOYSA-N 310.358 -0.183 50 20 DBGD CC(C)n1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)n1 1333973875 WUSSMZMDVZIZSC-UHFFFAOYSA-N 302.356 -0.802 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1cccnn1 1349788842 UWQUEIGSSAAQGD-BXKDBHETSA-N 304.354 -0.097 50 20 DBGD O=C(C[C@H]1CCNC1)NNC(=O)[C@@H]1COc2ccccc2O1 1580566517 YLFQBZXYHLHLJD-MFKMUULPSA-N 305.334 -0.027 50 20 DBGD COC(=O)NNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591275112 KUJSOHLXTMNKHZ-SNVBAGLBSA-N 315.293 -0.064 50 20 DBGD COc1nccnc1NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1591669775 NPOQGDSNSCBIHA-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@]2(C(=O)O)CCOC2)c1 1605320227 GTUYBQWCOOJFPQ-OAHLLOKOSA-N 321.333 -0.411 50 20 DBGD O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](B(O)O)C1 1606567780 MZDSNLNSHNFAPI-SNVBAGLBSA-N 317.114 -0.679 50 20 DBGD CC[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841278430 NUJJQPDFMVFYTF-VHSXEESVSA-N 304.774 -0.440 50 20 DBGD CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CBr)C1 96365180 PTPHNRDFZCQHDW-ZCFIWIBFSA-N 306.203 -0.213 50 20 DBGD COCCCNC(=O)NNC(=O)c1cccc(C(=O)OC)n1 139554677 MIRNKXBCTQBXFI-UHFFFAOYSA-N 310.310 -0.151 50 20 DBGD O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)N1CCOCC1 188843388 KNDFNDBWJGBFHH-UHFFFAOYSA-N 307.354 -0.096 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccn1 280445210 KIHANRGVISPCSF-MRVPVSSYSA-N 300.340 -0.911 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc2c(c1)OCO2 298942839 DMXJWXNLANLTFO-UHFFFAOYSA-N 307.306 -0.370 50 20 DBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)OC)CC1 493071957 CPOKQPYEZHDRFW-UHFFFAOYSA-N 309.344 -0.633 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 584984582 BJOXBEPHIRPEGI-KFWWJZLASA-N 319.166 -0.632 50 20 DBGD CC(C)(C)NS(=O)(=O)CCNCc1cccc(B(O)O)c1 585019411 LWCPIBZSOYAJAS-UHFFFAOYSA-N 314.216 -0.826 50 20 DBGD CC1CCN(C[C@H](O)CNCc2cccc(B(O)O)c2)CC1 585022269 VXVIXBPWRPMGOG-MRXNPFEDSA-N 306.215 -0.451 50 20 DBGD Cn1ccnc1[C@H](NCc1ccc(B(O)O)o1)C1CCOCC1 585041796 GNHAHYWGPBAICP-CQSZACIVSA-N 319.170 -0.050 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCCn1ccnc1 733951242 COFDOSXIRHHTRH-NSHDSACASA-N 313.358 -0.345 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cncc(F)c1 737431472 JMSWAUWSWJMWMV-MRVPVSSYSA-N 302.331 -0.001 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1C(=O)NC1CC1 744386205 GHNMMUIELPZHAG-NSHDSACASA-N 310.398 -0.077 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)CC[C@H]2C1 766268662 FRNYCLQIQPKPQE-RYUDHWBXSA-N 310.398 -0.125 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1OC 782121267 NKAYAMXPEGONLY-UHFFFAOYSA-N 323.305 -0.022 50 20 DBGD COc1c(C(=O)NNC(=O)C(=O)NC(C)C)cccc1[N+](=O)[O-] 792852321 CARIKQAUERRSLD-UHFFFAOYSA-N 324.293 -0.111 50 20 DBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)C(=O)N1CCCC1 825529999 PVVHBDSOMWAWNA-JTQLQIEISA-N 306.322 -0.381 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c1 825923181 RZQHMVLTBKIMMK-UWVGGRQHSA-N 306.278 -0.478 50 20 DBGD CCN(CC)CCC(=O)NN=C(C)c1cn(CC(=O)O)nn1 829671966 UXOZLFCUUFHPKM-UHFFFAOYSA-N 310.358 -0.065 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCCN1CCCC1=O 845484044 NZTAKZZMTWHESM-UHFFFAOYSA-N 305.338 -0.423 50 20 DBGD CC1=C(C(=O)NNc2cccnn2)[C@H](C)n2nnnc2N1C 847715088 DTIPMCIXQMOVCL-QMMMGPOBSA-N 301.314 -0.109 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 854840496 REASBAZEZJARGF-DWOQACPDSA-N 316.383 -0.395 50 20 DBGD CN(CC(=O)NNCC(F)(F)C(F)(F)F)S(C)(=O)=O 863092965 RFALWHJRZHCIAO-UHFFFAOYSA-N 313.248 -0.304 50 20 DBGD O=C(NNCC(F)(F)C(F)(F)F)[C@H]1CCS(=O)(=O)N1 863102418 HNDDQKCZUYZWPS-SCSAIBSYSA-N 311.232 -0.504 50 20 DBGD Cn1cc(C(=O)NNC(=O)CS(C)(=O)=O)c(C(C)(C)C)n1 863464322 LLOIULCUVYEHOA-UHFFFAOYSA-N 316.383 -0.477 50 20 DBGD CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 863869703 QOCFBZGKGMIOBX-CYBMUJFWSA-N 320.154 -0.283 50 20 DBGD COCCOCC(=O)NNC(=O)COc1cccc(OC)c1 869909083 IJDPVBMWFYWWBT-UHFFFAOYSA-N 312.322 -0.116 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1 890372102 FNPKEHDXBHBZBC-GFCCVEGCSA-N 321.381 -0.963 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=S)NC(C)(C)C)CC1=O 899992111 NHYOIQIHJPSKHS-VIFPVBQESA-N 316.427 -0.225 50 20 DBGD CCc1cccc2c1N(C(=O)C(=O)NNC(=O)C(=O)OC)CC2 1116729938 QYMWOWDYNFMREQ-UHFFFAOYSA-N 319.317 -0.542 50 20 DBGD O=C(NNC(=O)c1cnn2ccncc12)C(=O)N1CCCC1 1116879218 SFYDDWKBVRTEKN-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCCCNC(N)=O 1118609928 RXRXWPOKCDVBDL-UHFFFAOYSA-N 319.431 -0.301 50 20 DBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNC(=O)c1cn[nH]c1 1119083175 ASEKMDGPDJCAOW-QWRGUYRKSA-N 308.342 -0.783 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 1318878057 VZOUPNDNCMGYBL-UWVGGRQHSA-N 300.359 -0.390 50 20 DBGD Cc1ccc(NNC(=O)NCC2CN(S(C)(=O)=O)C2)nn1 1320505441 UIWFQKAKBDZXLV-UHFFFAOYSA-N 314.371 -0.697 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nnc(O)n2c1 1326380553 HZHAQVAQMOIGIZ-CBAPKCEASA-N 305.294 -0.379 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 1326806516 GPIBAURTFJDQCT-GJMOJQLCSA-N 315.326 -0.375 50 20 DBGD O=C(NNc1ncncc1Cl)c1cnn(C[C@@H](O)CO)c1 1330786904 JSIOHWKPHSAOQS-MRVPVSSYSA-N 312.717 -0.563 50 20 DBGD CC(=O)NNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1336754749 FEQUQGQRXYDWMB-AAEUAGOBSA-N 323.324 -0.503 50 20 DBGD O=C(CC1(O)CNC1)NNC(=O)c1ccc2ccccc2n1 1580516019 XPKVNAGZLAGTCT-UHFFFAOYSA-N 300.318 -0.280 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(=O)O 1589057064 XBBYROYXNYRYAP-GZMMTYOYSA-N 323.305 -0.123 50 20 DBGD COc1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)nc1 1591660167 PGXQDPFVOMJKDD-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2ccc(C(=O)O)cn2)nn1 1599008623 PVPSURUGGVFWDT-UHFFFAOYSA-N 320.265 -0.699 50 20 DBGD CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264027 VXIIPRXUEWMBDC-UHFFFAOYSA-N 317.349 -0.478 50 20 DBGD O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)CN1 1845997882 OVQYTENVHUCVFQ-WCBMZHEXSA-N 317.748 -0.140 50 20 DBGD CC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847489589 BLMXVXXGLCSQLT-XWLWVQCSSA-N 304.774 -0.441 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCS(=O)(=O)C1 15639663 GUYCRFNQEJKGBI-JTQLQIEISA-N 314.338 -0.050 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(OC)c(CC(=O)O)c1 271601317 IIQAYRSHZVKZAE-UHFFFAOYSA-N 318.307 -0.128 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 273837563 HBPLJIHHDOEZSL-UHFFFAOYSA-N 324.322 -0.078 50 20 DBGD C[C@@]1(C(N)=O)CCN(C(=O)NNC(=O)Cc2cccnc2)C1 279807939 FMLNHNYEZCJPBR-CQSZACIVSA-N 305.338 -0.438 50 20 DBGD CC(C)[C@H]1C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584940752 ZBOXUTQMFGVWKO-LBPRGKRZSA-N 308.118 -0.898 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@@H]2N1 585007381 LIHCRBBOUPTILP-YPMHNXCESA-N 302.139 -0.893 50 20 DBGD Cn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc(B(O)O)o1 585036799 NOKJAULUHFHBSH-IINYFYTJSA-N 305.143 -0.440 50 20 DBGD COC[C@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CCOC1 585053151 CAEQUHNMMVGOIC-CQSZACIVSA-N 304.111 -0.279 50 20 DBGD Cn1nc2c(c1S(=O)(=O)N1CC[C@@H](B(O)O)C1)CCCC2 585056851 CPYBHYYULRJGOO-SECBINFHSA-N 313.188 -0.464 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1C[C@H]1C(=O)O 739360454 FHVZYBOFUQNXNM-DTWKUNHWSA-N 302.290 -0.096 50 20 DBGD CSCCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048772 VWUBVYVIFWYZOO-MRVPVSSYSA-N 311.429 -0.395 50 20 DBGD C#CCSCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 758801544 CNADCBOXEWGCEK-UHFFFAOYSA-N 321.362 -0.283 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NN=c2cc[nH]cc2Cl)C1=O 768443824 CJZGRHUHXYHCRX-UHFFFAOYSA-N 311.685 -0.979 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)o1 774002516 QSRNGUCXONQHDO-LURJTMIESA-N 317.323 -0.819 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](CO)OC[C@@H]2C)c1 777599460 KJGQKNJCVQGROE-JSGCOSHPSA-N 321.377 -0.162 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)NCC2CC2)cc1C(=O)O 833054389 XNZMIHDAUUSDAQ-UHFFFAOYSA-N 316.339 -0.374 50 20 DBGD Nc1ncnc2c1ncn2CCC(=O)NNC(=O)CC1CC1 854667736 PBJJOOVQDAVGRT-UHFFFAOYSA-N 303.326 -0.254 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2cccc(F)n2)CC1=O 856422382 VEIMQUUGYJIKES-VIFPVBQESA-N 324.312 -0.523 50 20 DBGD CO[C@]1(C)C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1(C)C 858264623 CGDHGCJFYZVCKV-TVLCNXBWSA-N 312.370 -0.201 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)c1ccc(N2CCOCC2)nc1 862473708 YWPWYLWVVAMYHJ-UHFFFAOYSA-N 316.321 -0.284 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)N2C[C@H](O)[C@@H](O)C2)cc(C#N)n1C 862581405 PALQHZIAGZMANW-CCJFWJKHSA-N 300.318 -0.324 50 20 DBGD CC(C)S(=O)(=O)CCNC(=O)c1cc(B(O)O)ccc1F 863882743 MCKDAFNITGHSJH-UHFFFAOYSA-N 317.147 -0.942 50 20 DBGD O=C1OCCN1CCc1nc(-c2cccc(B(O)O)c2)no1 863893172 PTTAKCPURZIQKZ-UHFFFAOYSA-N 303.083 -0.589 50 20 DBGD CN1CCC(N2CC[C@@H](NCc3ccc(B(O)O)cc3)C2)CC1 877027788 SBHWSZGUPJJMGV-MRXNPFEDSA-N 317.242 -0.376 50 20 DBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)N1CCSCC1 913731776 VSVUOIOMLNMZMZ-JTQLQIEISA-N 314.411 -0.807 50 20 DBGD COc1ccc(C(=O)NNS(=O)(=O)N2CCOCC2)cc1 1116293279 MCUWOJZVZBTKTR-UHFFFAOYSA-N 315.351 -0.493 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccnn1C[C@H]1CCOC1 1116654199 ADWSMGYNYVCULE-SNVBAGLBSA-N 310.358 -0.366 50 20 DBGD Cc1ccoc1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1118545117 IRUKMOWKNGGPRA-SECBINFHSA-N 300.336 -0.287 50 20 DBGD Cc1nn2cccnc2c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884504 ZWHIXVQGKCFRGA-QMMMGPOBSA-N 302.294 -0.923 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc2c1CNC2=O 1324846131 PGUYYCRAZWVJGE-UHFFFAOYSA-N 320.305 -0.948 50 20 DBGD CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1325519278 GRKDAFXMJRCAFL-UHFFFAOYSA-N 307.306 -0.252 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)CN2C(=O)CNC2=O)cc1 1326614813 QSVZATOYYOIOOZ-UHFFFAOYSA-N 320.305 -0.603 50 20 DBGD Cc1cnc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1 1326833367 VZWIYTPWMFFWOX-HTQZYQBOSA-N 312.351 -0.038 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O 1333320744 GCTHOAHLRREJRH-UHFFFAOYSA-N 318.333 -0.286 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccsc1 1338666619 PZHHRFNXNVTBEE-UHFFFAOYSA-N 310.335 -0.544 50 20 DBGD O=C(NNc1nc2ccccn2n1)N[C@@H]1CCS(=O)(=O)C1 1339305038 DDYIKCWBRQEWDE-MRVPVSSYSA-N 310.339 -0.458 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@]23CNC[C@@H]2COC3)c1 1578427363 SOBGRYZRDUJLNO-MLGOLLRUSA-N 318.377 -0.250 50 20 DBGD NS(=O)(=O)c1ccccc1NNC(=O)C#CC1CCNCC1 1580364295 LWVRYJNDPUPYHB-UHFFFAOYSA-N 322.390 -0.220 50 20 DBGD Cc1onc(CC(=O)NNc2ccncn2)c1-c1nn[nH]n1 1581739745 XUVPULCOIKBWAD-UHFFFAOYSA-N 301.270 -0.361 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)O)CCOCC1 1589415474 IFBXORGXSLURMC-DTWKUNHWSA-N 300.311 -0.560 50 20 DBGD O=C(NC[C@@H]1CSc2ccccc2O1)NNC(=O)C(=O)O 1601489170 IIAWZKURBFHVEZ-SSDOTTSWSA-N 311.319 -0.045 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)CN2CC(=O)NC2=O)cc1 1602127360 OLDNDTIDGALUMY-UHFFFAOYSA-N 306.278 -0.691 50 20 DBGD O=C(NCCn1cc(C(=O)O)nn1)NNc1cccc(F)n1 1610695839 SQUAZIAGNDLRNV-UHFFFAOYSA-N 309.261 -0.163 50 20 DBGD O=C(O)C[C@@H]1CN(S(=O)(=O)CBr)CCO1 1610764493 OLSRANXDBNODII-ZCFIWIBFSA-N 302.146 -0.156 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-n2cnnn2)cc1 27338607 YELPTHFVXUFZOH-UHFFFAOYSA-N 317.309 -0.651 50 20 DBGD COCCS(=O)(=O)NNC(=O)CCc1ccccc1O 265655729 WGSJFBPTVGRCBV-UHFFFAOYSA-N 302.352 -0.078 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 267520195 UJRPVJQPFMBXFS-NSHDSACASA-N 317.349 -0.282 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)cn1 273461968 HUBVGPVROLLCBS-ZCFIWIBFSA-N 320.758 -0.566 50 20 DBGD CC(=O)N1CC(C(=O)NNc2nccc(N3CCOCC3)n2)C1 276624571 OLVLYBRWAILIIB-UHFFFAOYSA-N 320.353 -0.765 50 20 DBGD CSSCCNC(=O)CNS(=O)(=O)c1cn(C)cn1 285844860 XVLUMZWKOQBBKQ-UHFFFAOYSA-N 324.453 -0.174 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cncc(-n2ccnn2)c1 295322924 GSPZGEBSXZYNNQ-GFCCVEGCSA-N 316.321 -0.008 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1ccccc1F 298627189 GEBQQDGAPLPOOM-UHFFFAOYSA-N 315.326 -0.378 50 20 DBGD CN(C)C(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 299431984 QLHMOUAGCXNHKS-UHFFFAOYSA-N 309.282 -0.373 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)[C@@H]2CCCO[C@H]21 371100275 OZSLBJILDRZKQG-HBNTYKKESA-N 324.381 -0.201 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NCCOCC(N)=O)cc(C#N)n1C 490781357 ATDWVYQOUAZTTN-LFYBBSHMSA-N 315.333 -0.270 50 20 DBGD CC(C)n1cnnc1CCNC(=O)c1cc(B(O)O)ccc1F 584944485 QNGCGRPBABCWSW-UHFFFAOYSA-N 320.133 -0.350 50 20 DBGD CCN(CC)CCOC1CN(C(=O)c2cccc(B(O)O)c2)C1 584958827 YMMANGJWIAWBBC-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccc(B(O)O)c(F)c1 584962115 ARKXTQQGGYCINO-JTQLQIEISA-N 303.102 -0.484 50 20 DBGD CC1(C)CCN(C(=O)c2cccc(B(O)O)c2)CC[S@@]1=O 584996793 PWAHJIKRQCWBKN-NRFANRHFSA-N 309.196 -0.260 50 20 DBGD Cc1cnn(-c2ccc(S(=O)(=O)NCB(O)O)cc2F)c1 585055482 BXQOGEYJFYPOFJ-UHFFFAOYSA-N 313.119 -0.390 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 730843099 YQJNRCXFCOCNCL-UHFFFAOYSA-N 314.367 -0.004 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)c2cnn(C)c2)CC1=O 735446051 RSXIKEVJVNQACE-JTQLQIEISA-N 307.354 -0.314 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC(O)CC2)cc1 744382779 AGLROKMBVLTZCC-UHFFFAOYSA-N 302.334 -0.224 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1cc(OC)cc(OC)c1 761136047 RFTDKGOMHDNHDS-UHFFFAOYSA-N 310.310 -0.606 50 20 DBGD O=C(NNc1ncncc1Cl)C1=NN(CCO)C(=O)CC1 781819652 IVUFFALNRUECOW-UHFFFAOYSA-N 312.717 -0.456 50 20 DBGD O=S(=O)(CBr)NC[C@@H](CO)[C@@H]1CCOC1 795392706 HWQKWIVOZUZROS-SFYZADRCSA-N 302.190 -0.097 50 20 DBGD CCN(CCO)NC(=O)CN1CCN(c2ccccn2)CC1 823859992 GELGVCQDBBKOCD-UHFFFAOYSA-N 307.398 -0.451 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nc(N(C)C)no1 827057505 GHWXMXQVDDEXGZ-JGVFFNPUSA-N 312.330 -0.609 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](O)c1cccnc1 854283202 LXFYENMYCMPUII-NSHDSACASA-N 312.395 -0.011 50 20 DBGD COc1ncc(C)cc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860723841 RXBWQGKEXJWFJX-MRVPVSSYSA-N 307.310 -0.170 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 862458197 ZQTXKIBWLZZIMG-NSHDSACASA-N 308.313 -0.069 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c1 863413972 OVHVPDWZQFLMAI-SNVBAGLBSA-N 311.363 -0.108 50 20 DBGD O=C(NNS(=O)(=O)CCOCC1CC1)C1CCOCC1 882804401 FTZJADPEGGJTCJ-UHFFFAOYSA-N 306.384 -0.210 50 20 DBGD Cn1nnnc1SCCC(=O)NNC(=O)c1ccncc1 917895699 XGNBOBSEAKHUPM-UHFFFAOYSA-N 307.339 -0.452 50 20 DBGD O=C(/C=C\c1ccco1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886287 SIXAUZIHHRWDGB-ZBJFTSOASA-N 313.335 -0.190 50 20 DBGD CCc1noc(CCCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1118883748 HAWFOZHBRKXUQI-QMMMGPOBSA-N 309.326 -0.619 50 20 DBGD O=C(NN=C1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1318371190 IGKADYQXIJMSNM-QMMMGPOBSA-N 308.381 -0.898 50 20 DBGD COc1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)cn1 1320399756 UZIZWTIHABBDDV-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD Cn1nc(C(=O)NNC(=O)C(=O)NC2CC2)cc1OC(F)F 1324007798 WXNNGBCVNVTCBA-UHFFFAOYSA-N 317.252 -0.939 50 20 DBGD Nc1c(C(=O)NNC(=O)NC2CC2)cnn1-c1ccccn1 1324214722 XFGRRXQYGDPKTM-UHFFFAOYSA-N 301.310 -0.044 50 20 DBGD C[C@@]1(CCCC(=O)NNC(=O)CC(F)(F)F)NC(=O)NC1=O 1328417361 NRJZAKPZOSMTAB-JTQLQIEISA-N 324.259 -0.145 50 20 DBGD Cc1nnc2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cn12 1331803474 OEPMFABEBQJLMP-SECBINFHSA-N 302.294 -0.923 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1332349160 WJVUXUQVQJHWOO-PHDIDXHHSA-N 317.289 -0.488 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](CC(=O)O)CC(C)C 1333531573 BIFVPGCFYBSFHY-QMMMGPOBSA-N 303.315 -0.373 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CCC(=O)NC2=O)nc1 1341240006 APGHEULIZDLNOI-UHFFFAOYSA-N 321.293 -0.747 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)CS(C)(=O)=O)cc1 1346294943 NWNQSTCNHJCFOS-UHFFFAOYSA-N 300.336 -0.110 50 20 DBGD CO[C@@H]1CN[C@](C)(C(=O)NNc2nncc(N)c2Cl)C1 1573960281 IENDZLUNUYAVEB-KGFZYKRKSA-N 300.750 -0.078 50 20 DBGD COc1ccc(C(=O)NNC(=O)NC[C@@H]2CNCCO2)cc1 1579194064 GGNSNIMQOKKYNT-LBPRGKRZSA-N 308.338 -0.372 50 20 DBGD C[C@H](CO)N(C)NC(=O)COc1cccc(-c2nn[nH]n2)c1 1589882460 NITYNIRNXKFYAG-SECBINFHSA-N 306.326 -0.411 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1c[nH]c(-c2nn[nH]n2)c1 1593157506 CJLDLFSERFQBTC-VIFPVBQESA-N 305.298 -0.475 50 20 DBGD CN(C)N(C(=O)c1cc(C(=O)O)no1)[C@@H]1CCS(=O)(=O)C1 1598257983 WGAVJNNYWSHKEH-SSDOTTSWSA-N 317.323 -0.521 50 20 DBGD Cc1nc(C(=O)NNC(=O)NC(C)C)ccc1-c1nn[nH]n1 1606029444 JBDROZSALAAENI-UHFFFAOYSA-N 304.314 -0.077 50 20 DBGD O=C(O)C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCCl 1608690297 GQFBHGYKEJJVQE-MRVPVSSYSA-N 312.775 -0.390 50 20 DBGD O=C(O)c1cccc(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 1608932200 SUOFBEUBJDBICI-LLVKDONJSA-N 313.140 -0.237 50 20 DBGD CSCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1609370277 ALCYDPWXEGRTPZ-UHFFFAOYSA-N 322.350 -0.244 50 20 DBGD CCCSCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 124264371 YFDMZAPFZFKBQW-QMMMGPOBSA-N 309.413 -0.353 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 490853826 ZNQJRICAZBTKKU-JTQLQIEISA-N 316.358 -0.170 50 20 DBGD CNC(=O)C1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 584977484 XWAQMIGDRDFEKJ-UHFFFAOYSA-N 322.145 -0.460 50 20 DBGD CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)[C@H]1n1cccn1 585043039 KDXXZPHTFFEMBI-OUCADQQQSA-N 305.143 -0.336 50 20 DBGD Cc1nn(C)c(Cl)c1C=NNC(=O)[C@H](C)NS(C)(=O)=O 728435026 TVMBCJRMLAIXMB-ZETCQYMHSA-N 321.790 -0.230 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)N(C)C1CC1 729616958 HQHNEQVTJOQYAA-SNVBAGLBSA-N 311.386 -0.578 50 20 DBGD CN1C(=O)C(=NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21 730576266 NOLAYSYQACEPPU-VIFPVBQESA-N 321.358 -0.082 50 20 DBGD CN(CCCNC(=O)NNc1cccnn1)S(C)(=O)=O 736375716 LFIUDVPMZOYQDN-UHFFFAOYSA-N 302.360 -0.616 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)Cc1cc[nH]n1 757631140 OUQZIZVRENBMDK-UHFFFAOYSA-N 304.310 -0.188 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 764325051 BJEKPLAXFSVIRF-UHFFFAOYSA-N 320.349 -0.246 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)CCC1=O 772023348 ZCLHEAHONIYRHB-YUMQZZPRSA-N 313.310 -0.987 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)NC1 772023877 RAYRKGOHKFINMU-NXEZZACHSA-N 313.354 -0.362 50 20 DBGD O=C(CO)NNC(=O)[C@H](c1ccccc1F)N1CCOCC1 777781298 LWLHLQIWHLLXET-ZDUSSCGKSA-N 311.313 -0.661 50 20 DBGD CC(C)(C(=O)NNC(=O)N1CCOCC1)N1CCOCC1 801143373 CZQZWKAOZVQYIB-UHFFFAOYSA-N 300.359 -0.830 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnn[nH]2)cc1 805606503 XYKXRDQNNRAOEL-UHFFFAOYSA-N 303.278 -0.269 50 20 DBGD COCCCNC(=O)NNC(=O)/C=C/c1ccc(C(N)=O)o1 823810101 HLJYXPJKDGRJJB-GQCTYLIASA-N 310.310 -0.241 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825924744 FGTLETJKVUQFAZ-GHMZBOCLSA-N 302.375 -0.680 50 20 DBGD C[C@@H](N)C[C@@H](C)NC(=O)NNc1nc(O)c2cnn(C)c2n1 831211518 HBRNUHQSEQVRKH-RNFRBKRXSA-N 308.346 -0.179 50 20 DBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC(=O)N1 831477115 DQNYVXQXWILEBT-MRVPVSSYSA-N 314.342 -0.673 50 20 DBGD COC(=O)CN(CC#N)CC(=O)NNC(=O)c1ccc(F)cc1 839504856 VZJIYSAHDMCJHX-UHFFFAOYSA-N 322.296 -0.415 50 20 DBGD C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)c1cccs1 852037631 WNZLKBLGOGJGQG-MRVPVSSYSA-N 312.351 -0.645 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1cn(C)nn1 852552717 DDBXKYUUMAPBTJ-UHFFFAOYSA-N 320.328 -0.153 50 20 DBGD O=C(NNc1ncc(Cl)cn1)C1=NN(CCO)C(=O)CC1 857729236 OMLYDAYJEXWZKA-UHFFFAOYSA-N 312.717 -0.456 50 20 DBGD CCSC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858618417 BLDBDMWFYSXQQK-MRVPVSSYSA-N 300.384 -0.119 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1c1ncccn1)c1cn[nH]c1 862473433 QRKVVGVPMZFSHK-JTQLQIEISA-N 301.310 -0.370 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCOc1ccccc1F 863457003 AZEGGJGOJPDTHT-UHFFFAOYSA-N 318.326 -0.213 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc(O)ncn2)C[C@H](C)O1 863854331 MHMOVNARZPSTCX-UWVGGRQHSA-N 323.353 -0.558 50 20 DBGD CCOC(=O)CN(C(=O)c1cccc(B(O)O)c1)C1CCC1 863879668 XTGGOQADXLSYCU-UHFFFAOYSA-N 305.139 -0.076 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)c1cccc(N(C)C)c1 915916131 LAOXBQWFAARCIY-UHFFFAOYSA-N 307.354 -0.167 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cncc(C)c1 1116623843 ZIXIZPAPYRTLEB-JTQLQIEISA-N 324.337 -0.473 50 20 DBGD C[S@@](=O)C1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 1116910883 LVSXAEHKGMISAH-GIGQVBGESA-N 323.440 -0.722 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ncc(Cl)s1 1324952745 HWZGKPJNEXRMKG-RXMQYKEDSA-N 323.783 -0.008 50 20 DBGD COCc1nc(C(=O)NNC(=O)C(=O)N2CCCC2)cs1 1324980660 TVCXHNAAUODYAJ-UHFFFAOYSA-N 312.351 -0.327 50 20 DBGD Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@H](B(O)O)C1 1329214553 HFDPPXZLGILVLQ-JTQLQIEISA-N 303.131 -0.397 50 20 DBGD CN(C)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 1332480196 DKSBFFJHVKVIFI-UHFFFAOYSA-N 300.340 -0.733 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(O)c(NC(C)=O)c1 1333420001 XMIVHJFYDSYAEU-UHFFFAOYSA-N 302.312 -0.527 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CCn3ccnc3)nc21 1334112907 XLPJCSJYLPSWBH-UHFFFAOYSA-N 302.298 -0.201 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cncc2ccccc12 1342605652 AHZFKNHLUQYIES-UHFFFAOYSA-N 302.290 -0.297 50 20 DBGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)CC2CC2)CC1 1347748238 KPMDLIQYVGFDQK-UHFFFAOYSA-N 303.384 -0.395 50 20 DBGD Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)CS(C)(=O)=O 1351667380 QCRCSLPSIFKQFC-SSDOTTSWSA-N 316.383 -0.288 50 20 DBGD N[C@@H](CC(=O)NNc1ccccc1S(N)(=O)=O)C(F)F 1580121319 RKDXTJPULNIQIR-LURJTMIESA-N 308.310 -0.240 50 20 DBGD NCCNC(=O)NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O 1580311083 FQZZOGSQIVLVSZ-GFCCVEGCSA-N 319.365 -0.676 50 20 DBGD CC(C)(NC(=O)c1ccc(B(O)O)cc1)c1cc(C(=O)O)on1 1590858287 DRYOXALTVQZYJB-UHFFFAOYSA-N 318.094 -0.282 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cc(Br)c[nH]1 1593912117 WSUPRSCCUJYDTI-ZCFIWIBFSA-N 320.099 -0.362 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 1594865280 CIPQDJCRDXZFPZ-ZETCQYMHSA-N 310.310 -0.145 50 20 DBGD Cn1ccnc(NNC(=O)Cc2ccc(C(=O)O)nc2)c1=O 1608128996 HVVSWZIXEPYQQV-UHFFFAOYSA-N 303.278 -0.441 50 20 DBGD O=C(NCCc1nc2c(s1)CCCC2)NNC(=O)C(=O)O 1608454991 ZHANXSOISNZTRW-UHFFFAOYSA-N 312.351 -0.021 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2COCCN2C2CCCC2)cn1 193294858 VJQKKSOISUYVEA-CYBMUJFWSA-N 321.381 -0.176 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N[C@H]1CCN(C)C1=O 265703231 SBGQGRGUNGEELK-JTQLQIEISA-N 306.322 -0.130 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2COCCO2)c(N)c([N+](=O)[O-])c1 267502520 YBPUVDHWQMSTKG-SNVBAGLBSA-N 324.293 -0.338 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNc1ccc(C(N)=O)nn1 268272921 TWYHHMIDLQVGPX-UHFFFAOYSA-N 310.314 -0.457 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc[nH]1 269284996 BWMCDALRTMUASB-VIFPVBQESA-N 316.383 -0.260 50 20 DBGD CCOC(=O)/C(C#N)=C/NC[C@@H]1CCN(S(C)(=O)=O)C1 269939358 DAUYHIHHBHENDZ-NGPGYTDTSA-N 301.368 -0.172 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](O)CCc1ccccc1 270878684 OMPOPSZZHXBRJJ-LBPRGKRZSA-N 307.350 -0.348 50 20 DBGD COc1cccc(NNC(=O)NCCNS(C)(=O)=O)n1 272483539 YZXJLYLAWNCJIE-UHFFFAOYSA-N 303.344 -0.735 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(F)cc1O 273555302 ZKFNLWIJRMXYKB-LURJTMIESA-N 319.314 -0.770 50 20 DBGD Cc1csc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 273562530 WRMIJATYPUGVPZ-ZCFIWIBFSA-N 321.384 -0.458 50 20 DBGD Cc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 274162451 IGAISNFMGMMQCH-MRVPVSSYSA-N 315.355 -0.520 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cccc2c1OCCO2 299614744 PBEWQMCMYGPKFU-UHFFFAOYSA-N 301.324 -0.078 50 20 DBGD CCOC(=O)NNS(=O)(=O)N1CCN(C(=O)OCC)CC1 493075785 WODROCGUZFLPKG-UHFFFAOYSA-N 324.359 -0.744 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@H]([C@H]2CCCO2)C1 584957094 CGKDEUIBIUYPLE-KGLIPLIRSA-N 305.139 -0.614 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ncc(F)cn2)CC1 759917532 HMBBHPZWDRXCNE-SNVBAGLBSA-N 324.360 -0.316 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(C)C1 771991311 XTGOTFCFMZPXSN-NXEZZACHSA-N 313.354 -0.410 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)cn1 773549464 JYZYUQJTKGXQCI-UHFFFAOYSA-N 300.702 -0.143 50 20 DBGD CC1(C)CC(=O)c2cc(C(=O)NNC(=O)CO)c(O)nc2C1 777782835 QXIATPFLHKYYMD-UHFFFAOYSA-N 307.306 -0.304 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H](CO)CC1CC1 778641822 TXCHWBPRKBVMKA-JTQLQIEISA-N 324.337 -0.499 50 20 DBGD COCCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)n1 807378658 HXCCQNWODJKSFS-UHFFFAOYSA-N 324.385 -0.560 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1cccn1C)C(C)=O 816823988 MHSXLTXBUUMNTD-SNVBAGLBSA-N 309.322 -0.056 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 823993777 VRFDJOQRBXWSAY-SNVBAGLBSA-N 315.395 -0.106 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 840671249 RUDSLXLFDNPLQZ-GHMZBOCLSA-N 321.289 -0.036 50 20 DBGD Cc1cccc2c1O[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C2 862462405 WVVZDBHBPYLGTE-GHMZBOCLSA-N 303.318 -0.275 50 20 DBGD Cc1cc(=NNC(=O)NCCC(=O)N2CCN(C)CC2)cc[nH]1 875068593 OGDDLTFRHGJFTL-UHFFFAOYSA-N 320.397 -0.398 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 910181989 DZDYXPUKWZKCEJ-UTUOFQBUSA-N 311.382 -0.105 50 20 DBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 1116619139 QDNROFIGGWRUOT-UHFFFAOYSA-N 304.306 -0.458 50 20 DBGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CCSC1 1321052898 FNXKGRLDKSTXHL-QMMMGPOBSA-N 309.351 -0.144 50 20 DBGD C[C@]1(CNC(=O)C(=O)NCC2CNC2)C[C@H]1Br 1328561103 LPJHSJSRRHCFHY-LDYMZIIASA-N 304.188 -0.388 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1328629939 LQLBLDUKNVMNJV-LLVKDONJSA-N 305.338 -0.330 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC3(CCOCC3)C2)N1 1328717983 GRLPHYPWDKUUMP-JTQLQIEISA-N 310.354 -0.492 50 20 DBGD Nc1cnnc(NNC(=O)NC[C@H]2COCCN2)c1Cl 1329053383 HNIOQXSICBRJLA-LURJTMIESA-N 301.738 -0.673 50 20 DBGD O=C(COc1ccccc1-c1nn[nH]n1)NNC(=O)C1CC1 1592897179 QHRWOIXFGCNHHR-UHFFFAOYSA-N 302.294 -0.197 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(B(O)O)cc1 1593162437 QPYUBXGDYPUIDI-UHFFFAOYSA-N 324.109 -0.697 50 20 DBGD COC(=O)[C@@H]1CC[C@H](C(=O)NNc2ncccc2C(=O)O)O1 1593860325 AEKYSVNQRXMKIH-BDAKNGLRSA-N 309.278 -0.057 50 20 DBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1594288337 KQDUOCJRMXLETA-SNVBAGLBSA-N 305.290 -0.267 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)c1cn(C)nn1)C(=O)O 1595070319 HNNLJMQGSYPWGR-UHFFFAOYSA-N 312.330 -0.350 50 20 DBGD O=C(NNC(=O)c1ncccn1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 1601557323 KNBDLYULEMZSAT-KYXWUPHJSA-N 319.321 -0.080 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 45579458 HADJZHWFPURTRN-GFCCVEGCSA-N 320.349 -0.017 50 20 DBGD Cn1c(NNC(=O)[C@H]2COCCN2)nc2ccccc2c1=O 237870556 ZYYVLLBIHUWBHV-LLVKDONJSA-N 303.322 -0.635 50 20 DBGD COCC[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 263711087 KEIWZLNZUIYOAJ-VIFPVBQESA-N 312.326 -0.235 50 20 DBGD CCc1ccc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)cc1 275873657 QCXSUJDPUGTAQI-UHFFFAOYSA-N 320.349 -0.786 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 287682509 CLVKLAUZTBVUSI-UHFFFAOYSA-N 320.353 -0.957 50 20 DBGD C#CCNC(=O)C1CCN([C@@H](C)C(=O)NNC(=O)CC)CC1 491066858 FHJCGZFWBBOHOU-NSHDSACASA-N 308.382 -0.606 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@](O)(C(F)(F)F)C1 584956984 KFVMTHIMLXWTGG-GFCCVEGCSA-N 317.072 -0.104 50 20 DBGD NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584961389 RCWOEBFWTHMRPG-JOYOIKCWSA-N 308.118 -0.721 50 20 DBGD CCC(=O)N[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584973625 OSRKCTDIJJLUOD-SNVBAGLBSA-N 308.118 -0.754 50 20 DBGD C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(B(O)O)c(F)c1)CCO2 584984992 DXEYSBRMYDSWAF-ZUZCIYMTSA-N 323.129 -0.475 50 20 DBGD OB(O)c1ccccc1CNCc1nc([C@H]2CCCO2)n[nH]1 585046674 XQBNCSGPRQAHQL-GFCCVEGCSA-N 302.143 -0.374 50 20 DBGD O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H](B(O)O)C1 585068488 BODVNJMHSPBDOG-HUUCEWRRSA-N 318.182 -0.037 50 20 DBGD CC(C)NC(=O)CCCC(=O)NNC(=O)C(=O)N1CCCC1 729530144 YZXHJRCOFXXUPV-UHFFFAOYSA-N 312.370 -0.549 50 20 DBGD CC(=O)NN=C1NC(=O)[C@@H](CC(=O)Nc2cnccn2)S1 730816488 WDBXWVSIOIOFDU-SSDOTTSWSA-N 308.323 -0.556 50 20 DBGD Cn1c(CC(=O)NNC(=O)C2=NNC(=O)C2)nc2ccccc21 732259983 MQYMLQAZDPGWHT-UHFFFAOYSA-N 314.305 -0.861 50 20 DBGD O=C(NNS(=O)(=O)c1ccc(C(=O)O)o1)c1ccccn1 739454101 QDMXSVZNXRETFF-UHFFFAOYSA-N 311.275 -0.004 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 748240043 PFOPEICFJVXCCV-NSHDSACASA-N 324.381 -0.595 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1c[nH]c2ccccc12 751568173 UNCOUTGPNKTFKP-UHFFFAOYSA-N 310.335 -0.522 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)o1 753958184 HNCYBURWEGEDHU-VIFPVBQESA-N 315.351 -0.352 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C)S(=O)(=O)CC1 759997732 AMMCXYXJGGCVEZ-ZJUUUORDSA-N 305.400 -0.559 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)Nc1nc(CS(C)(=O)=O)no1 765244705 PGTNYEPKYSQHTB-ZCFIWIBFSA-N 319.343 -0.187 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1 773672810 LAUWJYDLGOQAKX-UHFFFAOYSA-N 306.370 -0.110 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C(N)=O)cc1C 798306878 CCICAPUXCMRKNG-UHFFFAOYSA-N 320.349 -0.099 50 20 DBGD CC(C)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 813421784 WYFJHNUZVHUILE-VIFPVBQESA-N 303.384 -0.060 50 20 DBGD O=C(O)CCCCCNC(=O)NNC(=O)[C@H]1COCCO1 819401298 ZRMLVAOCHLMGDZ-SECBINFHSA-N 303.315 -0.623 50 20 DBGD CCn1nccc1CNC(=O)NNC(=O)[C@H](C)OCCOC 824343264 WGEMELTYUJSIAP-JTQLQIEISA-N 313.358 -0.215 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCC(=O)NC1CC1 825721974 UINYEGWRUHMKAV-ONGXEEELSA-N 312.370 -0.199 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)c1c[nH]c(-c2nn[nH]n2)c1 826450026 UFQGCQTUZUYLTK-UHFFFAOYSA-N 311.269 -0.382 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)[C@H]1CCC[C@@H](C(=O)O)C1 833183429 FCVCCAYBABKHKT-AEJSXWLSSA-N 300.311 -0.560 50 20 DBGD Cn1cc(C=NNC(=O)c2ccccc2F)c(=O)n(C)c1=O 839386107 HANZAKDGPUNUFC-UHFFFAOYSA-N 304.281 -0.013 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ncn(C)c1Cl 842591881 GYXJAJUWZSAVCV-NKWVEPMBSA-N 322.774 -0.192 50 20 DBGD COc1nccnc1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853389827 ABIHQCCFHRSITK-PWSUYJOCSA-N 305.338 -0.202 50 20 DBGD CCC(CC)N1C[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1=O 862452074 SUGDTRAWMQLZQJ-KOLCDFICSA-N 324.381 -0.551 50 20 DBGD COc1cc(C)sc1C(=O)NNC(=O)CS(C)(=O)=O 863463939 ZWHIJYYBSDKUQY-UHFFFAOYSA-N 306.365 -0.129 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 869911053 TWWUFGMKNWTNEI-JTQLQIEISA-N 315.370 -0.556 50 20 DBGD CNC(=O)NNC(=O)Cc1ccccc1NS(C)(=O)=O 1116028390 PTCRZZQCCJJWIZ-UHFFFAOYSA-N 300.340 -0.439 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(C(F)F)c1 1116729826 NKLHNAFMTYAQDT-UHFFFAOYSA-N 315.232 -0.117 50 20 DBGD COc1ccncc1NC(=O)C(=O)NNc1nccnc1OC 1325558105 JEAXLUZOKODPPY-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 1337973340 BOZMHVJYMHHIET-UHFFFAOYSA-N 322.321 -0.784 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CO1 1574685870 GPLYUSWGQHRHHZ-MXWKQRLJSA-N 314.338 -0.027 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)C1(C2(O)CNC2)CCC1 1580628986 ZWXXDDRBGOVRPG-UHFFFAOYSA-N 310.276 -0.616 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN1)[C@H]1CC(=O)N(Cc2ccco2)C1 1580732701 GRHBIWBZZRSZJZ-ONGXEEELSA-N 306.322 -0.863 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc(C(=O)O)c2)N1 1602638757 VCOHSJRSZSYYRN-VIFPVBQESA-N 306.278 -0.184 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnccc1C(=O)O 1604859560 XUHWLPQECZGVBE-SSDOTTSWSA-N 309.278 -0.118 50 20 DBGD CC[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347746 CZHNPEOMQFRLIM-UWVGGRQHSA-N 304.774 -0.440 50 20 DBGD O=C(c1cncnc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847556828 QABVAVJKTXWGGW-SDDRHHMPSA-N 324.768 -0.108 50 20 DBGD O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)C1CC1 26967172 NDANSBNNASUDIA-UHFFFAOYSA-N 311.363 -0.088 50 20 DBGD Cc1nc2c(c(C)c1CC(=O)NN(C)C(N)=O)c(=O)[nH]n2C 179696454 BDQHZINXBFRNEG-UHFFFAOYSA-N 306.326 -0.537 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 275548871 GNFYSWNHEPRRHT-GHMZBOCLSA-N 321.337 -0.350 50 20 DBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)C(=O)NC(C)C 279740170 OSCYMNDZUGKZTE-LLVKDONJSA-N 312.370 -0.647 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(C)ccc1S(N)(=O)=O 286182383 CLSPMJURDHRQFR-UHFFFAOYSA-N 301.324 -0.015 50 20 DBGD O=C(NNc1cnccn1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 365150819 OBEWIRFQHKUWNJ-BQBZGAKWSA-N 303.244 0.377 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CN(C)NC2=O)cc(C#N)n1C 490813487 PRFUTFWBHNPJBF-XFVCYKSVSA-N 312.333 -0.426 50 20 DBGD COC(=O)N(C)CC(=O)NNc1ccccc1S(N)(=O)=O 497039901 PMWFUEUFXADTAY-UHFFFAOYSA-N 316.339 -0.525 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC2(CCOCC2)C1 584965244 OIQXHTZXIBIIJU-UHFFFAOYSA-N 323.129 -0.473 50 20 DBGD NC(=O)CCC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584969775 PJXPHWKEOVPQCC-UHFFFAOYSA-N 304.155 -0.516 50 20 DBGD OB(O)c1cccc(-c2noc(Cn3cc(C4CC4)nn3)n2)c1 585052961 CEVRLANDMCUVGR-UHFFFAOYSA-N 311.110 -0.066 50 20 DBGD O=C(CN1C(=O)COc2ccccc21)N1CC[C@H](B(O)O)C1 585076675 YMKJQROGFBFJFJ-JTQLQIEISA-N 304.111 -0.513 50 20 DBGD O=C1CC(C(=O)NNC(=O)c2cccc(OC(F)F)c2)=NN1 732285763 HDDXQUYNMNBCBB-UHFFFAOYSA-N 312.232 -0.075 50 20 DBGD Cn1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 735028246 HKBSEDDXTKSUAP-UHFFFAOYSA-N 319.277 -0.251 50 20 DBGD Cc1nn2cccnc2c1C(=O)NNC(=O)N1CCOCC1 745985884 AKFAZIQGSSNASJ-UHFFFAOYSA-N 304.310 -0.276 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 747406585 GYRRFORYYGAKGZ-UHFFFAOYSA-N 311.327 -0.873 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N=c1nc[nH]n1C 757761585 PFWGJSMPTIJNDL-MRVPVSSYSA-N 322.300 -0.004 50 20 DBGD CCN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C1CC1 768128034 ZKYDTEXADVNMSV-GFCCVEGCSA-N 303.428 -0.037 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC[C@@H]1C(N)=O 773566070 CBQIHKZOVYVDHA-VHSXEESVSA-N 316.427 -0.529 50 20 DBGD Cn1cc([C@H](CO)NCC(=O)NNC(=O)c2ccccc2)cn1 778137029 IJMVIJWCURKGRS-ZDUSSCGKSA-N 317.349 -0.496 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNc1nc2ccccn2n1 790346031 BKMYCEHFSAKABE-UHFFFAOYSA-N 312.355 -0.210 50 20 DBGD O=C(NNC(=O)c1ccnn1-c1ccccc1)C(=O)NC1CC1 792025898 PDGOVXBLNTVSME-UHFFFAOYSA-N 313.317 -0.088 50 20 DBGD O=C(CNC(=O)c1cccnc1)NN=C1CCS(=O)(=O)CC1 814873603 JOROLZJEJOASIY-UHFFFAOYSA-N 324.362 -0.508 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)[C@@H]1CCCCO1 830036849 CQRHAHPGDGEKCW-VIFPVBQESA-N 322.383 -0.295 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)COc1ccccc1O 847467062 RPLWCBILIJUVTE-RKDXNWHRSA-N 307.306 -0.570 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1ccncc1 848949529 ZDRQTNKFGBUIEH-UHFFFAOYSA-N 307.354 -0.701 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCC1 862449700 JGRLUEZVRWOVOR-PWSUYJOCSA-N 310.354 -0.893 50 20 DBGD CCOc1nc(C)ccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458595 GSJLWIUVEXFSKZ-SNVBAGLBSA-N 306.322 -0.172 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2cc(F)cc(F)c2)N1 863413709 LKQUVJUEVNDDLY-SECBINFHSA-N 319.289 -0.447 50 20 DBGD COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccc(B(O)O)cc1 863879162 VLSFPDAEOZRAQZ-OLZOCXBDSA-N 321.138 -0.841 50 20 DBGD COC(=O)CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863886430 ZLLVSNLAMVWIEG-UHFFFAOYSA-N 323.129 -0.079 50 20 DBGD COC(=O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C1 886374134 QHTVZHWKWARGQY-ZYHUDNBSSA-N 305.139 -0.220 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 912920948 GSYQJLLJRCZKBP-OUAUKWLOSA-N 314.386 -0.842 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1nn(C)c2ccccc12 1116680066 ZKPAOWVGKUAQSW-UHFFFAOYSA-N 319.321 -0.381 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccncc1 1118805938 LWQKNEHRSXNCIA-ONGXEEELSA-N 305.338 -0.206 50 20 DBGD CC(=O)N1CC[C@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)C1 1319579506 IDGYEIAXMRITEO-GFCCVEGCSA-N 312.414 -0.020 50 20 DBGD Cn1ncc(Cl)c1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1320494028 KBXXPSMYDRDLED-SSDOTTSWSA-N 304.759 -0.042 50 20 DBGD O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc2c1CNC2=O 1322949198 PMCQKMSJMRPRMW-UHFFFAOYSA-N 316.317 -0.184 50 20 DBGD CCN1C[C@@H](CNC(=O)NNC(=O)C2CCNCC2)CC1=O 1326486450 DKIHOJQMZBWCQZ-SNVBAGLBSA-N 311.386 -0.815 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1c(OC)cccc1OC 1327745593 BKDSZLOSUCNQNQ-UHFFFAOYSA-N 311.294 -0.293 50 20 DBGD CS(=O)(=O)Nc1ccccc1C(=O)N1CC[C@H](B(O)O)C1 1330260827 CBGVKRXDNYWALZ-VIFPVBQESA-N 312.156 -0.253 50 20 DBGD O=C(NNC(=O)c1ccnc2ccnn12)C(=O)N1CCCC1 1331340630 RQMJGTRQKQIGMU-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@]2(C)C[C@@H](O)CN2)c1 1574152189 UGYJCRHIAVUYGH-WBMJQRKESA-N 321.377 -0.057 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1592499712 APYZTVGKAUQQGT-HTRCEHHLSA-N 320.309 -0.046 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNc2ccc(C(=O)O)cn2)nn1 1593477013 FUYDFHOXTJPBFR-SSDOTTSWSA-N 306.282 -0.432 50 20 DBGD COc1nccnc1NNC(=O)Nc1ccn(CC(=O)O)n1 1594159629 WEBQSLPYPVLQMH-UHFFFAOYSA-N 307.270 -0.085 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1599226697 GGAKGEDHVWLLLS-UHFFFAOYSA-N 321.311 -0.493 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCCS2)O[C@H]1C(=O)O 1607442868 XHCAZNVSIHNMIH-LURQLKTLSA-N 302.352 -0.092 50 20 DBGD O=C(CN1CC(=O)NC1=O)NNc1cccc(F)c1C(=O)O 1608327140 CBOKIEHLBXCIRR-UHFFFAOYSA-N 310.241 -0.481 50 20 DBGD CS(=O)(=O)N1CCN(S(=O)(=O)CCCCl)CC1 37842502 LQRJUOADZZOGIG-UHFFFAOYSA-N 304.821 -0.478 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)NC1CC1 143195498 IPUCTSRXWOVGCF-OSTYVCCYSA-N 318.333 -0.714 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)Cc1cccnc1 264041860 GLUYLWNTPWWMKY-UHFFFAOYSA-N 323.397 -0.077 50 20 DBGD COC(=O)N(C)CCCC(=O)NNC(=O)N1CCOCC1 264210848 RYKYCJGWFAIFBZ-UHFFFAOYSA-N 302.331 -0.462 50 20 DBGD O=C(CN1CC[C@@H](O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 265164235 SHMBRDPOXXDBMP-LLVKDONJSA-N 308.294 -0.578 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CNc1cccc(OC)c1 270590154 VJQACKIVVHJTPY-VIFPVBQESA-N 324.337 -0.001 50 20 DBGD CC(C)[C@@H](CO)NC(=O)NNC(=O)CNC(=O)c1ccco1 272230871 ULFXMEUVCYUZGA-SECBINFHSA-N 312.326 -0.643 50 20 DBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 272802828 HUTZSNHDAGGBJR-UHFFFAOYSA-N 323.309 -0.966 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1COCCN1CC(F)F 281091528 GXVXJNFNHKQRTN-MRVPVSSYSA-N 308.354 -0.366 50 20 DBGD Cc1c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)nnn1C 494642377 WWWJFSBCZWSVFU-UHFFFAOYSA-N 312.330 -0.591 50 20 DBGD Cc1cnn(CCCNC(=O)c2ccc(B(O)O)c(F)c2)c1 584936574 JQVRQTZAMSKRLM-UHFFFAOYSA-N 305.118 -0.169 50 20 DBGD O=C(NCCn1cnnc1C1CC1)c1cccc(B(O)O)c1 584950682 YMEMLDYZUQOXPK-UHFFFAOYSA-N 300.127 -0.735 50 20 DBGD COCCCOCCN(C)C(=O)c1cc(B(O)O)ccc1F 584971174 ZACYVGMCOVDLAG-UHFFFAOYSA-N 313.134 -0.369 50 20 DBGD O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)c1cccc(B(O)O)c1 585004430 DMUXIACXGSAWIJ-NSHDSACASA-N 316.126 -0.734 50 20 DBGD COCCC(=O)N1CCC(NCc2cccc(B(O)O)c2)CC1 585030944 MFCNKTJQIPTZBS-UHFFFAOYSA-N 320.198 -0.517 50 20 DBGD CSCC[C@H](NCc1ccc(B(O)O)o1)C(=O)N(C)C 585040108 AACYEXYVFMIBHT-JTQLQIEISA-N 300.189 -0.741 50 20 DBGD O=C(NCB(O)O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 585061795 HCGAIKAOGGNBLA-ZDUSSCGKSA-N 304.155 -0.404 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 731879560 NDQVDIQIZIBVEN-RNCFNFMXSA-N 323.378 -0.067 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCN(C)C2=O)n1 748663455 LZXCRLVCNMFFDL-LLVKDONJSA-N 322.369 -0.549 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnn(CC(C)C)c1C 764299333 GKQKWTLKYXGTKO-UHFFFAOYSA-N 311.342 -0.420 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c(C)nn1 767373360 NOAZXIAZJDWUAY-UHFFFAOYSA-N 317.305 -0.123 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc2c(c1)nnn2C 772303516 JOGBXJVLTBGINR-ZETCQYMHSA-N 320.309 -0.534 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)ccn1 790894131 CNUYMCUZNZPWRH-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cccc(F)c1[N+](=O)[O-] 791151132 RHBIGIYGSXZTJK-UHFFFAOYSA-N 306.275 -0.274 50 20 DBGD CS(=O)(=O)N1CC(CNC(=O)NNc2cccc(F)n2)C1 805313066 BJGYGQUBVPMVLO-UHFFFAOYSA-N 317.346 -0.262 50 20 DBGD CN(C)CC(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 807968680 BCKKFXUQGNDVRZ-UHFFFAOYSA-N 302.331 -0.515 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H](CO)NC(=O)C(C)C)n1 813470193 ZIMMDTUFOQJTJT-VIFPVBQESA-N 311.342 -0.630 50 20 DBGD CSC(C)(C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 823434021 GLRUCRDPIZKYJR-SSDOTTSWSA-N 309.413 -0.355 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826363319 HFHDEZCJOKSRRN-UHFFFAOYSA-N 300.282 -0.392 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(=O)n1C 826640103 UMQODHHBQLAOJZ-JQWIXIFHSA-N 322.365 -0.051 50 20 DBGD CO[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826903785 WEBJPNZANKHXLH-WHOHXGKFSA-N 315.370 -0.207 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](C(=O)N(C)C)C1 839637082 VOWUZVKSORWWKB-NEPJUHHUSA-N 312.414 -0.022 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN(C)[C@@H]1CCSC1 843660342 KAVCWODVGHCQKW-AXFHLTTASA-N 301.412 -0.004 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O 843971524 RAVSTKYPAVUPQM-RGOKHQFPSA-N 306.384 -0.372 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)[C@H]1CCCCO1 844553877 ZTHJTFRNVAKFNM-SNVBAGLBSA-N 323.353 -0.902 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)C(C)(C)C 852083901 NZMKOXOKYYGSSQ-HTQZYQBOSA-N 307.372 -0.825 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 854181046 RMCVJEGNUZCUMK-GXFFZTMASA-N 319.317 -0.405 50 20 DBGD O=C(CS(=O)(=O)C1CC1)NNC(=O)OCC(F)(F)F 856026198 QFKUNVXNGQGROB-UHFFFAOYSA-N 304.246 -0.117 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](CO)[C@H](CO)C2)cc1 859450118 NLXZTBZUCCRXGX-KBPBESRZSA-N 321.377 -0.711 50 20 DBGD CCn1nc(C)c(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 860866689 UXPSVHMXYQVGRF-VIFPVBQESA-N 308.342 -0.049 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNc3ccncn3)CC2=O)cn1 861874378 YPUVQTHYYIZLTP-VIFPVBQESA-N 301.310 -0.294 50 20 DBGD C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)CS(C)(=O)=O)C1 863463549 MPDIVQONFMIQHL-ZJUUUORDSA-N 306.384 -0.226 50 20 DBGD Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 901249641 FCMVIOGFWBYFLO-LLVKDONJSA-N 315.333 -0.229 50 20 DBGD C[C@]1(C(=O)NC[C@H](O)Cn2ccnn2)C[C@@H]1Br 909915436 SRHJYCZPHAGYKS-NRPADANISA-N 303.160 -0.071 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C2(C#N)CCOCC2)n1 1116099233 PUPFHGPSXUDIIV-UHFFFAOYSA-N 305.338 -0.032 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cn(C)nn2)c1 1117584718 WOXYBBGJYNUQOE-UHFFFAOYSA-N 303.282 -0.757 50 20 DBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1 1262185998 JVIBYCXOQORCPC-JTQLQIEISA-N 310.354 -0.985 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1319092367 FERAQZWREQIRKK-QMMMGPOBSA-N 317.371 -0.813 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCCN(C(C)=O)C1 1321508097 STWRNZCKFTXWJC-NSHDSACASA-N 300.359 -0.388 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(O)nc(C3CC3)c2)N1 1329530660 OQLOCBJJZAPJHM-SECBINFHSA-N 304.306 -0.296 50 20 DBGD NC(=O)c1ccc(NNC(=O)CCCNC(=O)C2CC2)nn1 1332222746 GXZSAEZHVJKDPO-UHFFFAOYSA-N 306.326 -0.675 50 20 DBGD CC(C)NC(=S)NNC(=O)Cn1nc2ccccn2c1=O 1337242792 UJFCWCOPGDTPJN-UHFFFAOYSA-N 308.367 -0.600 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1338708813 SRIRTYGSAGFTKB-UHFFFAOYSA-N 309.326 -0.675 50 20 DBGD CCOC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CCCN 1577991696 MCNXAAQPUYJLMF-MRVPVSSYSA-N 304.372 -0.596 50 20 DBGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](O)CN)c1 1579665609 DFPNNDMXDGVWFT-LBPRGKRZSA-N 309.366 -0.036 50 20 DBGD O=C(NCCCN1CCNCC1)NNC(=O)[C@H]1CCCS1 1580682706 QHSZQXLQUJJIJS-LLVKDONJSA-N 315.443 -0.492 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1594644772 NPUYODOLNKFKKL-POYBYMJQSA-N 318.307 -0.288 50 20 DBGD CN(C)C(=O)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1598151777 GLVBPJMNAQJCMC-UHFFFAOYSA-N 308.294 -0.697 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(C(=O)O)c(F)c1 1604358041 JZSBXOZRKUBRMM-ZCFIWIBFSA-N 319.314 -0.095 50 20 DBGD CC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110427 SIZFYFWXVWAEBY-VLEAKVRGSA-N 302.758 -0.187 50 20 DBGD O=C(c1cnc[nH]1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349675 GSWVJTRFLFCVSM-JTQLQIEISA-N 312.757 -0.174 50 20 DBGD O=C(CN1CSCC1=O)NNC(=O)NCC(F)(F)F 60411744 YQMIESGJBJEPNS-UHFFFAOYSA-N 300.262 -0.588 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCCN1CCOCC1 67456400 NIXIWDINMOXQDJ-UHFFFAOYSA-N 322.365 -0.029 50 20 DBGD O=C(CN1CCOCC1)NNC(=O)[C@H]1COc2ccccc2O1 267871430 LREVKVMKZARTTA-CYBMUJFWSA-N 321.333 -0.694 50 20 DBGD O=C(CO)NNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 367733613 XXJBEEQGYQXJDT-ZDUSSCGKSA-N 307.350 -0.583 50 20 DBGD CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584969189 RKYKQODTBXIOLQ-LBPRGKRZSA-N 308.118 -0.754 50 20 DBGD CCCN1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584979914 KMIKKTMVFLWUTC-UHFFFAOYSA-N 322.145 -0.410 50 20 DBGD COC1([C@H](C)NC(=O)c2cccc(B(O)O)c2)CCOCC1 585000842 OJUDWEKVTRXEGL-NSHDSACASA-N 307.155 -0.320 50 20 DBGD O=C(N[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1)C1CC1 585008465 NYCDXBDJUCSPBB-ZDUSSCGKSA-N 302.139 -0.893 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2cocn2)c2ccccc2c1=O 729300945 ZCOMFEZDIDXRNE-UHFFFAOYSA-N 313.273 -0.004 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)C2CCC2)cc1 732142571 YHDDXDGRTVZGIC-UHFFFAOYSA-N 311.363 -0.176 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cncc(O)c1 732282914 XSHGVVYHFLZILL-UHFFFAOYSA-N 304.262 -0.429 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 734416185 NUFYBCKYPXKXGD-UHFFFAOYSA-N 312.351 -0.282 50 20 DBGD NC(=O)N1CCC(=NNC(=O)CNC(=O)c2ccco2)CC1 750937519 XIXDNEVTWXXOCB-UHFFFAOYSA-N 307.310 -0.344 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CNC(C)(C)CC(N)=O)cc1 755298054 WPLWFRGJMUYXMP-UHFFFAOYSA-N 306.366 0.000 50 20 DBGD Cc1ccnc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 758000642 PWZOWFMINGQYBU-VIFPVBQESA-N 312.351 -0.023 50 20 DBGD O=C(CN1CCN(c2ncc(F)cn2)CC1)NNC(=O)C1CC1 759920894 GKSUQEVAKQVRCU-UHFFFAOYSA-N 322.344 -0.705 50 20 DBGD O=C(CN1CC(=O)N(Cc2ccccc2)C1)NNC(=O)C1CC1 764424553 OQIUJCHCQABYFN-UHFFFAOYSA-N 316.361 -0.154 50 20 DBGD CC[C@](C)(OC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 797711150 FSUXEYDQGGAPEL-KWQFWETISA-N 307.372 -0.681 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)N=c2cc[nH]cc2)on1 802027383 FAGPBBCOMVWKER-UHFFFAOYSA-N 305.250 -0.255 50 20 DBGD CN1CCN(C(=O)NNC(=O)CN(C)[C@@H]2CCSC2)CC1 807381560 YUJQJRHSODHVSJ-LLVKDONJSA-N 315.443 -0.588 50 20 DBGD COCC(C)(C)CNC(=O)NNC(=O)C(=O)N1CCCC1 813841107 YJVJFTJOKCJFAV-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD CC(=O)NCC(=O)NNc1ccccc1S(=O)(=O)N(C)C 817051905 RXPHROPHBCRBJX-UHFFFAOYSA-N 314.367 -0.484 50 20 DBGD COCc1nccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 825489888 QIVQTINDYYDTBE-UHFFFAOYSA-N 305.298 -0.259 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCc2nnnn2CC1 827187587 GNFVFNWLINOFJC-GUBZILKMSA-N 323.357 -0.867 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1c(F)ccc2c1OCO2 828343563 GSFBHWMPKPTSMJ-UHFFFAOYSA-N 323.280 -0.062 50 20 DBGD CCNCCNC(=O)NNC(=O)COc1ccc(C#N)cc1 841935183 RGVMBZPSNPWTLR-UHFFFAOYSA-N 305.338 -0.123 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(N2CCOCC2)nc1 854926670 ILEPRCYEJSRZMK-UHFFFAOYSA-N 309.395 -0.001 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@]1(C)CC=CCC1 857116835 QKPCTEFSCUXRCN-SKDRFNHKSA-N 303.384 -0.182 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCCN2C2CC2)N1 858395606 DEMHAVIUSUMRHU-RYUDHWBXSA-N 323.397 -0.388 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)N1 858700449 LZKBMCKXWQLUMQ-GMXABZIVSA-N 322.365 -0.351 50 20 DBGD O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1CCC(=O)N1 862448853 HZSPRQMYPLSJAX-SNVBAGLBSA-N 322.277 -0.600 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)nn1C(C)(C)C 863460432 WQNLSZONBYFKRV-UHFFFAOYSA-N 316.383 -0.248 50 20 DBGD CCC[C@@H](OCC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 863865570 GJMHYOIENJYAKZ-RKDXNWHRSA-N 309.388 -0.723 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CCNS(=O)(=O)c1ccccc1 910180253 KGBQBNLYROMTTF-LLVKDONJSA-N 315.395 -0.301 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)nc1O 914831865 GOWREGSLRLTCAZ-QMMMGPOBSA-N 308.342 -0.024 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cn1cnc2ccccc21 919689630 AHPKOKRCSCTFFJ-UHFFFAOYSA-N 310.335 -0.772 50 20 DBGD O=C(NNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1cn[nH]c1 1118864423 PIGHATRYLDIDMT-GHMZBOCLSA-N 309.326 -0.356 50 20 DBGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(C)=O)c1 1320349024 OGMQHKXLEYVPEZ-UHFFFAOYSA-N 322.321 -0.693 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=S)NC(C)C 1328756619 JBVDUCCOFMQQMC-ZETCQYMHSA-N 307.445 -0.320 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2c[nH]c3ncccc23)N1 1331736745 QHNFOULQZVVNFL-QMMMGPOBSA-N 323.334 -0.849 50 20 DBGD O=C(CN1CCC(CO)CC1)NNC(=O)c1cccc(F)n1 1339085631 NWCSDBPWWQDUDB-UHFFFAOYSA-N 310.329 -0.314 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1nncc(N)c1Cl 1340554822 MARDFJMIRMAXCR-BYPYZUCNSA-N 308.751 -0.907 50 20 DBGD C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)C1CCOCC1 1353034434 HJOYVWZKTSGTFI-PWSUYJOCSA-N 315.370 -0.063 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1NCC12CCCC2 1580552235 HEHSTUFBRNKCCH-GFCCVEGCSA-N 320.349 -0.311 50 20 DBGD O=C(NNC(=O)c1ccccc1F)c1cn(C2CNC2)nn1 1580737659 UZDXHPVYLXICSR-UHFFFAOYSA-N 304.285 -0.364 50 20 DBGD Cn1cc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)nn1 1592576615 WIYQHQCGJPNODG-UHFFFAOYSA-N 301.274 -0.461 50 20 DBGD C=CCNC(=S)NNC(=O)C1(CC(=O)O)CCOCC1 1602723202 UMBZDLRBDVDYLQ-UHFFFAOYSA-N 301.368 -0.061 50 20 DBGD O=C(NCc1ccc(-n2ccnc2)cc1)NNC(=O)C(=O)O 1608465380 VGKPGYIPIFVAHY-UHFFFAOYSA-N 303.278 -0.213 50 20 DBGD CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835195664 FNAQVAUBXCKJON-AAEUAGOBSA-N 320.773 -0.938 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(F)c1 264111959 JLDMDFNNRSMBES-ZETCQYMHSA-N 318.330 -0.084 50 20 DBGD O=C(CN1CCN2C(=O)NC[C@@H]2C1)NNC(=O)c1ccccc1 267828683 QLEOALGMPQWLQY-GFCCVEGCSA-N 317.349 -0.843 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@]2(O)CCSC2)cc1 270821355 RTWPQTXMHFWJEV-CQSZACIVSA-N 321.358 -0.048 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc([N+](=O)[O-])c(F)cc1N 282989579 GAQYCZNUWRLZQP-UHFFFAOYSA-N 300.246 -0.152 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nc1C 298138742 OFUCEIWTSVNYBF-SECBINFHSA-N 314.367 -0.603 50 20 DBGD CN(C)C(=O)NNC(=O)CCn1c(O)nc(=O)c2ccccc21 299375133 LUWAPMCWESMIFW-UHFFFAOYSA-N 319.321 -0.205 50 20 DBGD O=C1CC[C@H](NC(=O)c2cccc(B(O)O)c2)[C@H](C2CC2)N1 584986879 DSFBWRPASRTMKW-JSGCOSHPSA-N 302.139 -0.847 50 20 DBGD C[C@H](c1nc(-c2cccc(B(O)O)c2)no1)N1CCOCC1 585052301 YDKWAHVAKPWRFK-SNVBAGLBSA-N 303.127 -0.190 50 20 DBGD Cc1ccc(S(=O)(=O)NCCC(=O)NCB(O)O)cc1C 585056863 YGXDXASGGARHJK-UHFFFAOYSA-N 314.172 -0.900 50 20 DBGD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058984 WCANOHQVBWQUSR-MRVPVSSYSA-N 300.101 -0.168 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)Cn2ccc([N+](=O)[O-])n2)n1 753464941 URSYDZIIBKLIGC-UHFFFAOYSA-N 312.677 -0.040 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)CCc2ccccc2O)C1 754421846 ZISORWFNJJQGKO-ZDUSSCGKSA-N 307.350 -0.197 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC(O)C1 759874193 WNUMYGGJUGTKRH-UHFFFAOYSA-N 322.321 -0.189 50 20 DBGD COc1ccnc(NNC(=O)NC[C@@H]2CCCS2(=O)=O)n1 767174973 VGAXCPKHWSIWGJ-QMMMGPOBSA-N 315.355 -0.312 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCO[C@@H](C)C1 770351830 LJSMTEYANZHINJ-HBNTYKKESA-N 303.359 -0.064 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCN(C(=O)CC)C1 772215492 SSXPLZXISPTGSF-ZJUUUORDSA-N 313.354 -0.266 50 20 DBGD COC1(CO)CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 773936404 XFNAJSRJMMCWNE-UHFFFAOYSA-N 301.387 -0.347 50 20 DBGD O=C(CO)NNC(=O)[C@@H](c1ccccc1)N1CCSCC1 777781266 KQAVENILNKKSRW-CYBMUJFWSA-N 309.391 -0.084 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 780862612 NNPFHEBFTFYNNL-UHFFFAOYSA-N 307.306 -0.255 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CC1OCCCO1 793556043 TVHHQPATYCHIFG-UHFFFAOYSA-N 301.343 -0.408 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1 815570415 BONXREHIQJKGCS-JTQLQIEISA-N 307.306 -0.731 50 20 DBGD COc1ccnc(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)n1 816859945 QVRFZFJGVFGJFM-MRVPVSSYSA-N 300.340 -0.247 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 823115578 QYAVGHCDNYYEKH-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)C[C@H]1CCCCO1 842593754 XKJLIFOUJUEAAZ-AXFHLTTASA-N 306.384 -0.069 50 20 DBGD O=C(NNc1ncnc2ccsc12)[C@@H]1CCS(=O)(=O)N1 845830454 LRGBWPBAWDBWJD-ZETCQYMHSA-N 313.364 -0.174 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCNC1=O 854223463 FPWYHWAWZMLOJB-KCJUWKMLSA-N 309.297 -0.124 50 20 DBGD CC(=O)c1cn(CC(=O)NNC(=S)N[C@H](C)C2CC2)nn1 855096752 YKPODEPWRZACQZ-SSDOTTSWSA-N 310.383 -0.226 50 20 DBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1cc[nH]n1 855359300 MQMKWFGWUDBYIE-LURJTMIESA-N 322.354 -0.327 50 20 DBGD CN1CCC(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858281639 VZMJLEAQTRJDHF-NSHDSACASA-N 311.386 -0.673 50 20 DBGD C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858418273 KEQWCCRFZACAPF-NHCYSSNCSA-N 310.354 -0.423 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860667891 KZRSSIPYOVVRMH-VIFPVBQESA-N 306.388 -0.650 50 20 DBGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452678 MWHIBJZCNAQFKY-WDEREUQCSA-N 324.381 -0.551 50 20 DBGD Cn1nc(Br)cc1C=NNC(=O)CS(C)(=O)=O 863186905 QCMYGFWXWSJKHI-UHFFFAOYSA-N 323.172 -0.323 50 20 DBGD CC(C)(C)c1nnc(C(=O)NNC(=O)CS(C)(=O)=O)s1 863465530 ALSRPACTAGLSQT-UHFFFAOYSA-N 320.396 -0.359 50 20 DBGD Cn1c(S)nnc1CCCNC(=O)c1cccc(B(O)O)c1 863883722 KMURVJADOYGIKG-UHFFFAOYSA-N 320.183 -0.854 50 20 DBGD O=C(/C=C/CN1CCOCC1)NNC(=O)N=c1cc[nH]cc1 868119704 YTCJEGZZLLVCOX-OWOJBTEDSA-N 305.338 -0.455 50 20 DBGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)C1CCOCC1 882805633 NVZXKQFMFIWVMJ-LLVKDONJSA-N 306.384 -0.067 50 20 DBGD CN(CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C1CCC1 908278620 IAMXBSMXQXEOLD-LBPRGKRZSA-N 303.428 -0.037 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NN(C)C[C@@H](C)O)C1 910182084 HPOIZCXMMGYJRU-VXGBXAGGSA-N 301.387 -0.395 50 20 DBGD COC(=O)[C@@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 925187870 GDRJVHOFPQETQY-NSHDSACASA-N 309.152 -0.903 50 20 DBGD COc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)nn1C 1255225248 YNILHLZRQHCFHI-VIFPVBQESA-N 316.383 -0.465 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNC(=O)Cc1cccnc1 1318287518 SMKYSAPVQQLSMC-UHFFFAOYSA-N 314.367 -0.611 50 20 DBGD Cn1nc2c(c1C(=O)NNc1ccc(C(N)=O)nn1)CCCC2 1319801458 WIKNUAHOWJDBSI-UHFFFAOYSA-N 315.337 -0.055 50 20 DBGD COC[C@@H](NC(=O)c1c(C)nn(CCCl)c1C)C(N)=O 1320272744 RAKLBEBHAFBGCA-SECBINFHSA-N 302.762 -0.031 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)c1cncn1-c1ccccc1 1321718689 PXGUPHDIGZMTAZ-UHFFFAOYSA-N 312.293 -0.680 50 20 DBGD CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CCO 1323944380 WORYEFLUKJCYDM-UHFFFAOYSA-N 313.285 -0.307 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1=O 1328685786 OBUJWZZSSHEKBV-SNVBAGLBSA-N 308.342 -0.627 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1 1328730067 PQHCDHHJHNNPAS-GFCCVEGCSA-N 320.349 -0.236 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)Cn1cccn1 1328771306 MEDWSVUAMOPVTQ-NXEZZACHSA-N 308.342 -0.872 50 20 DBGD CCOCCn1cc(C(=O)NNC(=O)C(=O)NC(C)C)cn1 1329654699 PAYBDAFEPZFASB-UHFFFAOYSA-N 311.342 -0.795 50 20 DBGD CC(C)C(=O)NNC(=O)Cn1cc(S(C)(=O)=O)ccc1=O 1332320997 XFFIBKQGWIEFNW-UHFFFAOYSA-N 315.351 -0.945 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccn(C2CCCCC2)n1 1339256336 AKVZIZBGNKFGSV-UHFFFAOYSA-N 309.326 -0.534 50 20 DBGD Cc1ncc(C=NNC(=O)CSc2nnc(O)nc2O)n1C 1347211012 SUYKDQLXGJXQDC-UHFFFAOYSA-N 323.338 -0.433 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)CN1CCN(C)CC1 1352361194 SJUZIKRFKQKLLU-LLVKDONJSA-N 323.401 -0.763 50 20 DBGD O=C(CCN1CCOC1=O)NNc1ccc(-c2nn[nH]n2)cn1 1592842904 FOYHVYYHNVKRJR-UHFFFAOYSA-N 318.297 -0.453 50 20 DBGD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)C1CC1 41781237 JYRXEBRRUJYJNN-UHFFFAOYSA-N 306.278 -0.118 50 20 DBGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)OC)cc1 55555480 OBMGOSVZPXRREE-UHFFFAOYSA-N 318.307 -0.212 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCCc1n[nH]c(N)c1C#N 121442211 ILRKSZJOFYNYGR-SECBINFHSA-N 321.385 -0.326 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(F)c(F)c1F 155380532 OBFSTTFBVAOTQN-UHFFFAOYSA-N 318.255 -0.249 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 276332247 YJVNNCRVBASPLN-UHFFFAOYSA-N 304.306 -0.685 50 20 DBGD O=C(CN1CCC[C@@H]1CO)NNC(=O)c1ccc([N+](=O)[O-])cc1 298259440 VHMRRFIPADEGLC-GFCCVEGCSA-N 322.321 -0.188 50 20 DBGD COC(=O)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 490773763 UCDIAJYVQGEJKP-UHFFFAOYSA-N 319.115 -0.106 50 20 DBGD COCCN(CC(=O)NN(C)C(N)=O)C(=O)OC(C)(C)C 494467475 GGDWNLVJWKTNBZ-UHFFFAOYSA-N 304.347 -0.088 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 584984584 BJOXBEPHIRPEGI-RRFJBIMHSA-N 319.166 -0.632 50 20 DBGD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cnn[nH]1 729456542 RKNYGJBLJYQIDK-UHFFFAOYSA-N 319.281 -0.146 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2nc[nH]c2c1 732308084 UCZLQDQQBBXEIZ-SECBINFHSA-N 322.346 -0.241 50 20 DBGD CCS(=O)(=O)CC(=O)NNc1nc2ccccc2c(=O)n1C 733262458 ZTXLJCLZFVXDCN-UHFFFAOYSA-N 324.362 -0.189 50 20 DBGD CC(C)Nc1ncccc1C(=O)NNC(=O)C(=O)NC1CC1 735841677 UYBCTVSDCTZSPM-UHFFFAOYSA-N 305.338 -0.059 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCOC2)cc1 744872814 KSKNWPLJGNOMTG-GFCCVEGCSA-N 317.301 -0.101 50 20 DBGD C[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)CCS1(=O)=O 760000334 WGSRKRHUODDSEI-JTQLQIEISA-N 319.427 -0.311 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)NCC2CC2)c1 799122456 NEMHJYVCAZHJSA-UHFFFAOYSA-N 300.340 -0.007 50 20 DBGD COC(=O)COCC(=O)NNC(=O)Cn1ccc2ccccc21 806795802 MVCBZEMPNLVWLO-UHFFFAOYSA-N 319.317 -0.022 50 20 DBGD Cn1nncc1NC(=O)NNC(=O)COc1ccccc1C#N 809910102 IJVXUWIGGWGXQC-UHFFFAOYSA-N 315.293 -0.082 50 20 DBGD CN(C)CCN(CC(=O)O)S(=O)(=O)CBr 820539564 RACHIAMKBFXQGY-UHFFFAOYSA-N 303.178 -0.383 50 20 DBGD COCCN(C)NC(=O)CNS(=O)(=O)c1cccc(F)c1 843882353 NOKSJGBCOMPGCB-UHFFFAOYSA-N 319.358 -0.287 50 20 DBGD O=C(NNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)NC1CC1 845296741 OEJKRXQDOKRUFM-NSHDSACASA-N 324.312 -0.591 50 20 DBGD O=C(NNC(=O)[C@H]1CCNC1=O)c1cc(Br)c[nH]1 854293270 OTIXRKLHVLQICY-LURJTMIESA-N 315.127 -0.326 50 20 DBGD Cn1nncc1NNC(=O)COCCNC(=O)c1ccccc1 857272907 KTQIZWSQNKPCIX-UHFFFAOYSA-N 318.337 -0.295 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCS1 858296849 WOXROVVBQQNTIQ-QPUJVOFHSA-N 300.384 -0.119 50 20 DBGD Cc1cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(C)n1 858547693 NOWKXOHKFFWUEI-LLVKDONJSA-N 305.338 -0.193 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC(OCC3CC3)CC2)N1 858695904 GPRPUFDZPDRTPZ-GFCCVEGCSA-N 324.381 -0.103 50 20 DBGD CCN(CC)[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858697096 OVLAGFXAARTABN-MNOVXSKESA-N 311.386 -0.578 50 20 DBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)N[C@@H]1CCNC1 861706202 TZSBNBFJDDELSJ-SECBINFHSA-N 323.309 -0.334 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1cc(C)cs1 862477073 FLAJUEDWPYSRCM-UHFFFAOYSA-N 320.392 -0.121 50 20 DBGD C=CCNC(=S)NNC(=O)CCN1C(=O)C(C)=C(C)C1=O 899939894 YYKZTPVHKIGXPJ-UHFFFAOYSA-N 310.379 -0.237 50 20 DBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 917182340 BMOXXVYYJJXQGO-VIFPVBQESA-N 305.400 -0.701 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccnc1F 1117377599 FMYMURPGVWIRAH-SSDOTTSWSA-N 301.299 -0.584 50 20 DBGD N#CCOc1cccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1118884923 SQYUAWYJUNFCLM-GFCCVEGCSA-N 316.317 -0.443 50 20 DBGD C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H](B(O)O)C3)ncn2)C1 1118916860 YDGDSEAOWMCRQZ-TUAOUCFPSA-N 306.175 -0.263 50 20 DBGD Cn1c(Cl)cnc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1256575702 OLUPJHPMYVNXIM-ZETCQYMHSA-N 319.774 -0.106 50 20 DBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1cccn1 1261436049 NWRRTAVTSJVWJJ-VHSXEESVSA-N 314.367 -0.584 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1nc2ncccn2n1 1261497965 PQOBMCHXAMQFTD-IUCAKERBSA-N 304.310 -0.761 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 1320357896 VESLRLJZGKWWPJ-UHFFFAOYSA-N 310.358 -0.714 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(C(N)=O)nc1 1345742958 VLKYABGSOSPPHY-WPRPVWTQSA-N 321.337 -0.564 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1nnnn1C 1354006038 DNUUQDJORWURRX-MRVPVSSYSA-N 321.316 -0.017 50 20 DBGD COCCN(C)NC(=O)CN(CCN)C(=O)OC(C)(C)C 1579021635 NSHIQUVBKAFANT-UHFFFAOYSA-N 304.391 -0.208 50 20 DBGD Cc1onc(CO)c1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592516908 MCRADIOCKIXSGK-UHFFFAOYSA-N 316.281 -0.193 50 20 DBGD O=C(NCc1ccc(-c2nn[nH]n2)cn1)NNc1ncccn1 1593135602 NETPAUJJEJNRDK-UHFFFAOYSA-N 312.297 -0.122 50 20 DBGD COCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1795594343 AWYIAHJUYYJJDW-LMLFDSFASA-N 304.774 -0.129 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCCC1 20493889 JFXLJNUVSDAAEY-UHFFFAOYSA-N 305.290 -0.201 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)NC2CC2)ccc1F 138635096 BTNDUQKQVPDADB-UHFFFAOYSA-N 316.314 -0.421 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)Cc1cn2ccccc2n1 266910057 GXZCPMHZNRGJPR-UHFFFAOYSA-N 319.321 -0.278 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1C 269624471 ULTOPZLYOZNQDD-UHFFFAOYSA-N 323.309 -0.401 50 20 DBGD C#CCO[C@H](C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 295204927 PMIKXJLLRNWUSX-JHJVBQTASA-N 311.382 -0.329 50 20 DBGD Cc1nc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)no1 584933488 IDHZEZZMZSKIMI-UHFFFAOYSA-N 301.111 -0.133 50 20 DBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)N1CCOCC1 584941625 MFEWAXCOFFNFOW-VXGBXAGGSA-N 306.171 -0.795 50 20 DBGD C[C@H](O)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1C 584953740 XGHZNWGZBOVDQK-MNOVXSKESA-N 324.161 -0.967 50 20 DBGD CCCC[C@@H]1C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584961215 RMMSVJLQJRGTLF-CYBMUJFWSA-N 322.145 -0.364 50 20 DBGD CC(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584962277 KYSIHFJHDAWUJH-CYBMUJFWSA-N 304.155 -0.647 50 20 DBGD CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584979504 VVMKNMKOIHDVSI-ZDUSSCGKSA-N 322.145 -0.508 50 20 DBGD O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1cc(B(O)O)ccc1F 584987676 RLLCUUDHQUCUHA-STQMWFEESA-N 320.129 -0.611 50 20 DBGD O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(B(O)O)cc1 584999764 YICHGZRRWSRNFI-CHWSQXEVSA-N 302.139 -0.750 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@]1(N(C)C)CCSC1 748646150 IGMSGPMTIMTZTE-GFCCVEGCSA-N 304.416 -0.209 50 20 DBGD O=C(NCCc1ccc(O)cc1)NNC(=O)C(=O)NC1CC1 749346485 BHYAHZRBUQZLIQ-UHFFFAOYSA-N 306.322 -0.456 50 20 DBGD O=C(CNC(=O)c1cccs1)NN=C1CCS(=O)(=O)C1 750944045 QJYOIJICALTBPX-UHFFFAOYSA-N 315.376 -0.231 50 20 DBGD CC[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)C(=O)N1CCOCC1 753057822 NXJVHUOFFIWDMX-SNVBAGLBSA-N 323.353 -0.404 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)c1cc(OC)cc(OC)c1 754974851 SNBNOAUYOCYHSN-AWEZNQCLSA-N 312.322 -0.138 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 767433811 PZNHJPSIMAHVPG-UHFFFAOYSA-N 302.356 -0.308 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CS(=O)(=O)C(C)(C)C 772235978 JEHBEKPLODDEFT-QMMMGPOBSA-N 322.383 -0.311 50 20 DBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)C1CCC1 776942393 LUAOQZUZNLKOKY-RYUDHWBXSA-N 315.370 -0.063 50 20 DBGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)C(=O)N1CCCC1 786849134 CJFCEHXHVGHPMG-UHFFFAOYSA-N 321.293 -0.440 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCS(=O)(=O)C[C@H]1C 827272720 BUUKTKKNXQLMCB-KXUCPTDWSA-N 319.383 -0.729 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C 843278478 ZIFUWHWLIFUGKC-RKDXNWHRSA-N 302.400 -0.569 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843642766 GRKMRVMQRPQVLX-NXEZZACHSA-N 306.384 -0.370 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1ccn(CC)n1 845598664 QWZKYANWXJLISB-UHFFFAOYSA-N 309.370 -0.102 50 20 DBGD Cc1cccnc1NNC(=O)CN(C)S(=O)(=O)N(C)C 846001787 HFGMUMWNFCVDLK-UHFFFAOYSA-N 301.372 -0.429 50 20 DBGD C[C@]1(NNC(=O)NCCC2CCNCC2)CCS(=O)(=O)C1 846211763 ZUZDVMCRFDFCGB-ZDUSSCGKSA-N 318.443 -0.243 50 20 DBGD C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858700459 MCSULBRVJWQEGM-IJLUTSLNSA-N 323.397 -0.436 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1ccc(C(N)=O)nc1 860349568 MKELTRAWGQFSNP-QMMMGPOBSA-N 322.321 -0.788 50 20 DBGD COC(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1F 863378350 BKTAUSBHCXKQNP-ZYHUDNBSSA-N 309.297 -0.061 50 20 DBGD COCC(=O)NCCC(=O)NNC(=S)N[C@H](C)C1CC1 1261746941 XLNDEIMBRFQPHF-MRVPVSSYSA-N 302.400 -0.567 50 20 DBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1318737666 VINLOQRDMHLGNY-RITPCOANSA-N 317.289 -0.298 50 20 DBGD Cc1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)n[nH]1 1319011625 AQRMTEOZHVRTEX-LLVKDONJSA-N 301.372 -0.401 50 20 DBGD CNC(=O)NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 1323525139 GXSSTDSJPCSGTP-ZDUSSCGKSA-N 305.294 -0.685 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCNC1CCCCCC1 1326131739 CEZOWHVZKNYTLB-UHFFFAOYSA-N 300.359 -0.198 50 20 DBGD Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)CS(C)(=O)=O 1329208158 OHBNBEOHFURQPE-UHFFFAOYSA-N 317.367 -0.239 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)c1ccc(Cl)nc1 1330326207 BWJYOEFNUCIXPM-UHFFFAOYSA-N 324.728 -0.159 50 20 DBGD O=C(CN1CCC(CO)CC1)NNC(=O)NCC(F)(F)F 1338996299 OXNLNWRRRFTMKL-UHFFFAOYSA-N 312.292 -0.417 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)[C@H](C)N 1575416635 ZOUKSKLIVXNNCA-CABZTGNLSA-N 310.354 -0.224 50 20 DBGD CC(C)c1nccnc1NNC(=O)[C@@H](C)N1CCNCC1=O 1575871463 ODSGCYDLSBYHRR-SNVBAGLBSA-N 306.370 -0.137 50 20 DBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)c1cccnn1 1582147071 XYGZCIBJANHCMK-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)o2)nc1O 1592449222 IWNPLRAKHFQSFC-UHFFFAOYSA-N 303.242 -0.584 50 20 DBGD O=C(c1ncccn1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349969 ZYKGUVRWYOVDRY-JTQLQIEISA-N 324.768 -0.107 50 20 DBGD COCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558302 JEGDVKHCDUSRHG-GARJFASQSA-N 304.774 -0.176 50 20 DBGD COCCO[C@@H](C)C(=O)NN[C@@H](Cc1ccccc1)C(N)=O 273497717 XYQZPRYWNCDOSF-AAEUAGOBSA-N 309.366 -0.245 50 20 DBGD CCCN(NC(=O)[C@@H](CO)NC(N)=O)C(=O)OC(C)(C)C 286448191 JFLZYYYXJWOJFL-MRVPVSSYSA-N 304.347 -0.306 50 20 DBGD NC(=O)CCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 299358494 BKJSWVVEBYBBAN-LLVKDONJSA-N 307.306 -0.371 50 20 DBGD CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584937484 ORXHAIZBCVWNNJ-ZDUSSCGKSA-N 318.182 -0.255 50 20 DBGD O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1cc(B(O)O)ccc1F 584962802 KTVJFPJZACUXRI-DIUUZDHRSA-N 307.130 -0.358 50 20 DBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](O)C(F)(F)F 584967705 BFYODEOSYAQJQA-NXEZZACHSA-N 323.051 -0.063 50 20 DBGD CC(C)c1nnc(CNC(=O)c2ccc(B(O)O)cc2)n1C 584970802 GKEWWWGFAVFIKF-UHFFFAOYSA-N 302.143 -0.452 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)[C@@H]1OC 584976584 RRSZTSXAOYEBQO-UPJWGTAASA-N 311.118 -0.572 50 20 DBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CCS1(=O)=O 584984024 WCUSXYBRKBPCMF-SNVBAGLBSA-N 311.168 -0.984 50 20 DBGD O=C(NCC[C@H](O)C(F)(F)F)c1ccc(B(O)O)c(F)c1 584986327 WBHTYUKEDFVGSP-VIFPVBQESA-N 309.024 -0.451 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1ccncc1 746091736 JMEYHMPJLXMKFB-UHFFFAOYSA-N 314.367 -0.486 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 748529999 MTVHYMFZGITXLH-CQSZACIVSA-N 319.321 -0.343 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1=CCCCO1 768244993 XMHLNKGSCYNUSX-UHFFFAOYSA-N 304.306 -0.347 50 20 DBGD CN1CCCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 770970889 DYYZJSUTKCIXNA-SECBINFHSA-N 305.342 -0.004 50 20 DBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)C(C)C 776944934 WULURNYUAVPANK-QWRGUYRKSA-N 303.359 -0.207 50 20 DBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778437519 FSZYUNJTGHQOCV-NSHDSACASA-N 324.381 -0.244 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)O[C@H](CO)C2)cc1 787314247 FAMQCPQWMCGCIR-JSGCOSHPSA-N 321.377 -0.162 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CC1OCCO1 792798987 VQATXIMAQFXDJI-UHFFFAOYSA-N 310.306 -0.016 50 20 DBGD Cn1cncc1C(=O)NNC(=O)CNC(=O)c1cccs1 809647113 KBQPYJOHWJNDFK-UHFFFAOYSA-N 307.335 -0.327 50 20 DBGD CCOC(=O)c1cc(C=NNC(=O)N2CCN(C)CC2)[nH]n1 842531302 JEJZVHKQIXHTPP-UHFFFAOYSA-N 308.342 -0.123 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1c[nH]nc1Cl 842588498 BHJDLNMNVZBUPI-PHDIDXHHSA-N 308.747 -0.202 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 847299279 YVBZOMHKUOCDSX-NXEZZACHSA-N 315.333 -0.085 50 20 DBGD O=S(=O)(CBr)NCCCN1CCNCC1 850585230 XLRRPJIHFKEVRQ-UHFFFAOYSA-N 300.222 -0.447 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCc3nn[nH]c32)CC1 854382693 IXBSLPVEWADTQI-SECBINFHSA-N 307.358 -0.787 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 854920310 NBWALWVXERBHND-ZDUSSCGKSA-N 312.395 -0.625 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCN(CC(F)F)C1 858546140 NLHAVPOCLVWIQF-QMMMGPOBSA-N 302.285 -0.307 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(N(C)C)n1 860811710 YPWUIVKMEFCSGS-JTQLQIEISA-N 320.353 -0.113 50 20 DBGD CN1CCOc2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc21 862458952 KOGYXKLTDCKLFL-SNVBAGLBSA-N 318.333 -0.445 50 20 DBGD CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(B(O)O)c1 863877387 XUXHODYZZSHULV-CYBMUJFWSA-N 305.139 -0.172 50 20 DBGD COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(B(O)O)cc1 863878486 GMZCZHHKYXFHKQ-MFKMUULPSA-N 305.139 -0.220 50 20 DBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)CC(C)(C)C 912527308 VHYAGYBRQLTBOM-UHFFFAOYSA-N 318.355 -0.058 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(-c2ccco2)[nH]n1 912994314 HMYGWLWWVHCSPR-UHFFFAOYSA-N 305.294 -0.045 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)C3(O)CCSCC3)nc21 1253845602 FAMFEYAWXOLVRM-UHFFFAOYSA-N 324.366 -0.230 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1319620891 YQLHXRUHBOXSCT-SNVBAGLBSA-N 321.337 -0.225 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 1325540636 VUEAKRWPZQMPMF-UHFFFAOYSA-N 324.293 -0.354 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1 1328701311 XTPGLWAYQUFKFP-VIFPVBQESA-N 319.321 -0.089 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCS(C)(=O)=O 1332068503 FTEAKLBZDRPRJR-RKDXNWHRSA-N 307.372 -0.824 50 20 DBGD C[C@]1(CNC(=O)C(=O)N[C@@H]2CCNC2)C[C@H]1Br 1335252622 BNLGIVUZHSGVRK-SOCHQFKDSA-N 304.188 -0.246 50 20 DBGD CCS(=O)(=O)c1cccc(NC(=O)NNC(=O)CO)c1 1342406142 IXVVTPBNIBODJJ-UHFFFAOYSA-N 301.324 -0.375 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(CCN(C)C)cc1 1343392926 MBZWRVCAPKBJFD-UHFFFAOYSA-N 322.365 -0.206 50 20 DBGD C[C@]1(CNC(=O)C(=O)NCC2(N)CC2)C[C@@H]1Br 1356460206 AILWFHWYIVKTAO-OIBJUYFYSA-N 304.188 -0.116 50 20 DBGD Cc1cnn([C@@H]2CCCNC2)c1C(=O)NNC(=O)CN(C)C 1579827466 GYLUMGJORQFLGU-LLVKDONJSA-N 308.386 -0.561 50 20 DBGD O=C1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCN1 1582756693 DJDBCODYTYLXHU-SSDOTTSWSA-N 302.298 -0.769 50 20 DBGD Cc1ccc(NNC(=O)CN2CCOCC2=O)cc1C(=O)O 1607809866 HJRSWDDQGSIQDX-UHFFFAOYSA-N 307.306 -0.005 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)Cc2ccccc2F)c1=O 181676977 PHPJRWKYLCJWGP-UHFFFAOYSA-N 307.285 -0.889 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cnn(C)n1 285981594 FSLWFLRVDWTAFE-ZETCQYMHSA-N 312.330 -0.511 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnn(C)n2)C[C@@H](C)O1 289059906 LWWYCUNUEOWRDI-NXEZZACHSA-N 310.358 -0.925 50 20 DBGD CO[C@H]1COC[C@@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1 290872772 DWNYEFIPXNPBCM-UWVGGRQHSA-N 319.325 -0.298 50 20 DBGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(C)=O)c1 291973273 UACYPRCEJALNJO-UHFFFAOYSA-N 316.335 -0.051 50 20 DBGD CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)C(C)(C)O 365602378 RVRVGZWMRLEFBR-ZDUSSCGKSA-N 319.361 -0.122 50 20 DBGD Cc1nn(C)c(C)c1CCNC(=O)c1ccc(B(O)O)c(F)c1 584931173 JZUAKRQXMDYXAJ-UHFFFAOYSA-N 319.145 -0.172 50 20 DBGD O=C1CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CCCC[C@H]2N1 584958425 OGDZSJBJPYKQCZ-CHWSQXEVSA-N 320.129 -0.611 50 20 DBGD O=C(CCNCc1cccc(B(O)O)c1)NCc1ccncc1 585021195 QROBSUNIJDNKRU-UHFFFAOYSA-N 313.166 -0.443 50 20 DBGD C[C@H]1CC[C@@H](NCc2ccc(B(O)O)cc2F)CS1(=O)=O 585047254 MCKKJAVLSKAGMN-JOYOIKCWSA-N 315.175 -0.439 50 20 DBGD CCCS(=O)(=O)Nc1cccc(C(=O)NCB(O)O)c1 585061046 OYAUKOHDZUYHRT-UHFFFAOYSA-N 300.145 -0.420 50 20 DBGD Cc1cccc(NC(=O)NCC(=O)NNC(=O)c2cnn[nH]2)c1 729457903 SXMWAVUSDYMJKY-UHFFFAOYSA-N 317.309 -0.304 50 20 DBGD CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C 744399467 NQXLDDPVZFHDGG-SNVBAGLBSA-N 321.443 -0.065 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(C(C)(C)CO)CC1 747840040 HUYZTGIEAFYWMO-UHFFFAOYSA-N 314.430 -0.432 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C 764325576 OTTCKFWXMAMOHQ-UHFFFAOYSA-N 308.338 -0.125 50 20 DBGD CS[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1N(C)C 775999864 KDGDRNPYRQXZHK-GHMZBOCLSA-N 300.428 -0.479 50 20 DBGD CCOC(=O)c1cn(C)nc1NC(=O)NNC(=O)c1cc[nH]n1 822400521 LCLFKWDGAZRULH-UHFFFAOYSA-N 321.297 -0.214 50 20 DBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NN(C)[C@H](C)CO 823970963 NJMMMRXBBWHPPD-RKDXNWHRSA-N 321.424 -0.241 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCCOCC1 826863535 ZUGQJPLQDNHCIX-VXGBXAGGSA-N 314.386 -0.536 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C[C@H](C)O1 827273185 FQPSHHZANWVRLU-FIQHERPVSA-N 315.370 -0.112 50 20 DBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCN)nc1 841921569 QUKVSMVNXDLUJA-UHFFFAOYSA-N 316.387 -0.647 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(C)C 843650444 CJSSVDQMPKRXSO-UMNHJUIQSA-N 315.370 -0.654 50 20 DBGD CC(C)Cn1nccc1C(=O)NNC(=O)C(=O)N1CCCC1 843779501 BNLUFTBUAJLDRZ-UHFFFAOYSA-N 307.354 -0.078 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 843973616 YSOFGRFJIMXOMS-SKDRFNHKSA-N 321.333 -0.306 50 20 DBGD CCC(C#N)(CC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 858173939 KDNCQDFUZIQJHC-SECBINFHSA-N 301.368 -0.102 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCN(CC3CC3)C2)N1 858235175 METHEIWFLXLWEO-QWRGUYRKSA-N 309.370 -0.920 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOCC2CCCC2)N1 858528204 DVGSJVFKSCHINQ-LLVKDONJSA-N 312.370 -0.198 50 20 DBGD CO[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1 862464394 XYTLIQYMCNHKTN-PWSUYJOCSA-N 309.297 -0.061 50 20 DBGD O=C(CN1CSCCSC1)NNC(=O)[C@H]1CCC(=O)N1 912977027 FEWNMAGSNMSMNL-MRVPVSSYSA-N 318.424 -0.891 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccccc1C#N 919684798 INYHYKDMSXSGGI-UHFFFAOYSA-N 311.319 -0.871 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)c1ncccn1 1118274165 HORYOISIDZQUJE-UHFFFAOYSA-N 301.310 -0.514 50 20 DBGD CN1CCCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 1123663027 CEGWQSBMCGPEGX-LLVKDONJSA-N 311.386 -0.577 50 20 DBGD C[C@H](CCN(C)C)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1319092139 OHNLDWUVMBTLRT-SNVBAGLBSA-N 322.369 -0.309 50 20 DBGD CCCNC(=O)CCC(=O)NNc1nc(O)c2cnn(C)c2n1 1319291042 KJFRTRAMCJYWKD-UHFFFAOYSA-N 321.341 -0.182 50 20 DBGD Cn1ccc(NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n1 1320978426 LIITUYVHRLPAIM-UHFFFAOYSA-N 322.350 -0.639 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1326110269 HTEWXMQMPIBSIL-UWVGGRQHSA-N 303.384 -0.901 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)NCC[C@]1(O)CCCOC1 1328691030 ZNIKVLLPVHQBOH-CQSZACIVSA-N 323.353 -0.229 50 20 DBGD COCCn1cc(CNC(=O)NNC(=O)c2cn[nH]c2)cn1 1328715020 BZVQNRNNGLAURD-UHFFFAOYSA-N 307.314 -0.603 50 20 DBGD Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)c(=O)n(C)c1=O 1334566593 QOJGXGGXTZLKOP-UHFFFAOYSA-N 324.215 -0.983 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)S(C)(=O)=O 1350394246 KJKZRWNJPFSNRN-QMMMGPOBSA-N 315.355 -0.728 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2n[nH]cc2Br)N1 1520303719 WXTNYTPWQOIUSY-RXMQYKEDSA-N 316.115 -0.788 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1548641908 BUEJTXVYRHJREM-WPRPVWTQSA-N 309.395 -0.399 50 20 DBGD CC(C)(C)OC(=O)c1cccnc1NNC(=O)C1(O)CNC1 1575247832 QZRISNQIURIGSR-UHFFFAOYSA-N 308.338 -0.186 50 20 DBGD O=C(NNC(=O)c1n[nH]cc1F)c1cccc(-c2nn[nH]n2)c1 1582561558 KUHKNXJUQIFMBV-UHFFFAOYSA-N 316.256 -0.196 50 20 DBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1589219277 LPCQJZNRYZGUNO-CYBMUJFWSA-N 318.293 -0.434 50 20 DBGD COCC(=O)NNC(=O)Nc1nc(CCC(=O)O)cs1 1610241169 AOYMLHRHCFPOJU-UHFFFAOYSA-N 302.312 -0.041 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)CN1CCCC1=O 8247394 KFKHKZFGIDQQOF-UHFFFAOYSA-N 316.317 -0.293 50 20 DBGD COCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 46866550 UCALYDOPUGQNOF-UHFFFAOYSA-N 300.340 -0.613 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccccc2-n2cnnn2)[nH]n1 151212880 VLWFBLSAMVYAFZ-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NNC(=O)CN(C)C)C2=O 265780063 FDSUVQBNTWIEMK-UHFFFAOYSA-N 318.333 -0.700 50 20 DBGD NC(=O)c1ccc(NNC(=O)CN2CCCCCCC2=O)nn1 268261602 RAJYLMVIODPQDJ-UHFFFAOYSA-N 320.353 -0.189 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCOC1 268886382 VVYOPQZYPZTDJA-NSHDSACASA-N 306.322 -0.615 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)c1F 273509169 QOYUESBSXNCTNP-ZCFIWIBFSA-N 321.305 -0.337 50 20 DBGD C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 281575618 PAIZHQHZCLTNMM-RYUDHWBXSA-N 324.381 -0.080 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)COc1ccc(C#N)cc1 298329450 ZASLRCNJPPUQFT-UHFFFAOYSA-N 304.306 -0.437 50 20 DBGD CC(=O)NC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCCC1 299490102 MZOUDRYMILYDQN-UHFFFAOYSA-N 324.381 -0.405 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 496955519 LWAPBWKRDZNXNP-MRVPVSSYSA-N 322.387 -0.241 50 20 DBGD Cn1cnnc1[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584968304 AHHRXHUUIBUEPB-GFCCVEGCSA-N 318.117 -0.389 50 20 DBGD CN1CC[C@@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@@H]2C1 584972499 YPEKBUPLHGKAFT-QMTHXVAHSA-N 306.146 -0.328 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 584996662 NUSSBRWRYVNFEW-KYOSRNDESA-N 303.167 -0.011 50 20 DBGD CC(C)[C@@H](CNCc1cccc(B(O)O)c1)N1CCN(C)CC1 585017955 OWJDKVDDAUVFCL-QGZVFWFLSA-N 319.258 -0.272 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNCc2ccc(B(O)O)cc2F)O1 585033550 DWFBSQNSQJEGEF-OCCSQVGLSA-N 324.161 -0.769 50 20 DBGD OB(O)c1ccc(CNCCn2cc(Br)cn2)o1 585040445 KJNHCFWDDYVTQI-UHFFFAOYSA-N 313.948 -0.292 50 20 DBGD Cn1c(=O)n(CCC(=O)N2CC[C@@H](B(O)O)C2)c2ccccc21 585068954 JLSOIOFMGNXRSO-LLVKDONJSA-N 317.154 -0.195 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc2c(c1)OCCO2 726615034 WXCYGAXLHVGSRP-UHFFFAOYSA-N 321.333 -0.328 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](N2CCNC2=O)C1 732198612 ZAYALCYCCTUNFJ-GHMZBOCLSA-N 311.386 -0.578 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 737612906 LZYUNCPUEAIDID-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD COCCOCC(C)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 741163745 WYJUQVZPUIOZKG-SNVBAGLBSA-N 307.372 -0.488 50 20 DBGD Cc1nc2n(n1)CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C2 750058423 SUDIDTOJDUJMSW-SNVBAGLBSA-N 308.386 -0.016 50 20 DBGD COC(=O)c1coc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 758101432 XMUVRYPRDYBWAH-MRVPVSSYSA-N 314.319 -0.049 50 20 DBGD CCn1c(=O)c2ccccc2n(CC(=O)NN(C)C(N)=O)c1=O 778415052 MFXQQARJDZOAPL-UHFFFAOYSA-N 319.321 -0.775 50 20 DBGD O=C(CN[C@H](CO)C1CCOCC1)NNC(=O)c1ccccc1 782528589 AXKVFPFVTDVFSV-CQSZACIVSA-N 321.377 -0.175 50 20 DBGD CCc1c(C(=O)NNC(=O)CO)nnn1Cc1ccc(F)cc1 787912438 PAMQVSLZPSFIGJ-UHFFFAOYSA-N 321.312 -0.219 50 20 DBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 792857150 JQYQAWQGEQBTCK-GUBZILKMSA-N 306.384 -0.370 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cn1 798315704 NQXLLBBSTFKFLO-UHFFFAOYSA-N 319.243 -0.053 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCSC1 809972049 CDEIPRUYMQQKOB-IUCAKERBSA-N 306.409 -0.288 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@@H](C)CS(C)(=O)=O 827301479 YLGZBFVEWGOHLZ-GUBZILKMSA-N 321.399 -0.483 50 20 DBGD CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)COCC 838606056 VSDMIISIHFIYGD-JTQLQIEISA-N 302.375 -0.094 50 20 DBGD CCN1C[C@@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)CC1=O 838675803 NWAWZHVHURKUFK-NSHDSACASA-N 322.369 -0.549 50 20 DBGD COCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccc1=O 843648186 WITMAEPUNYTBPN-ZYHUDNBSSA-N 323.349 -0.319 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)c1ccncc1 845070559 DLYMEQKDQNFOMU-VIFPVBQESA-N 301.310 -0.518 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 848234239 DVLJAXABVFGFFJ-BQBZGAKWSA-N 309.282 -0.242 50 20 DBGD CCC[C@@H](C(=O)OCC)S(=O)(=O)NNC(=O)c1cc[nH]n1 849311012 YYBHUFXVZXCVDN-VIFPVBQESA-N 318.355 -0.294 50 20 DBGD CNC(=S)N(C)NC(=O)c1sccc1S(N)(=O)=O 854927328 CYBKFXRRDJARJB-UHFFFAOYSA-N 308.410 -0.524 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCC1 862449701 JGRLUEZVRWOVOR-ZYHUDNBSSA-N 310.354 -0.893 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(F)c1 873804751 LXLAKHPBGFVGHV-UHFFFAOYSA-N 312.301 -0.518 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cn(C)nc1OC 883969328 GQXGSUXUCZDFCC-UHFFFAOYSA-N 314.342 -0.021 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1ccncc1 1116509738 AHMYEMQTGIFAJC-ZANVPECISA-N 320.349 -0.953 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2scnc2c1 1320241567 WHELGZTZKTZIIF-UHFFFAOYSA-N 308.319 -0.235 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 1320594764 AGLDAGVLJXTHPY-QMMMGPOBSA-N 313.314 -0.194 50 20 DBGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC)cc1 1321139256 LOZQHETVUMGMLK-UHFFFAOYSA-N 306.322 -0.068 50 20 DBGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)CCO)c1 1321151252 FCTIBUBZTBALJH-UHFFFAOYSA-N 315.307 -0.997 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc3c(c2)NC(=O)CO3)c1=O 1322295953 HCINEKGXVQBMSI-UHFFFAOYSA-N 315.289 -0.132 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1nncc(N)c1Cl 1322654565 ALZLPFHZPFWRQP-YFKPBYRVSA-N 307.763 -0.164 50 20 DBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)CC2CC2)CC1 1325208748 GOHPUSZOFZBOBB-UHFFFAOYSA-N 318.399 -0.890 50 20 DBGD CN(CC(=O)NNc1ncc(F)cn1)[C@H]1CCS(=O)(=O)C1 1326380075 JPORUHMXANSZSK-VIFPVBQESA-N 317.346 -0.822 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1332158085 RAAZPNKVLPRBFC-VXNVDRBHSA-N 310.285 -0.268 50 20 DBGD Nc1cnnc(NNC(=O)CNC[C@@H]2CCCO2)c1Cl 1349417459 FLJNMURIIJZACL-ZETCQYMHSA-N 300.750 -0.076 50 20 DBGD CCOC(=O)[C@@H]1CNCCN1C(=O)/C(C#N)=C\c1cnn(C)c1 1577935664 BSHPWGWCGQCNFW-TZQNSNDFSA-N 317.349 -0.309 50 20 DBGD CNCCOc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1578715930 JKWTYSRLOPOBDZ-LLVKDONJSA-N 320.349 -0.676 50 20 DBGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCN1 1580733152 NGZWDJOEKTYYIM-NSHDSACASA-N 323.374 -0.498 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN1)c1cnc(O)c(C(F)(F)F)c1 1580733163 NXFGHQAEWVRVNB-ZETCQYMHSA-N 304.228 -0.071 50 20 DBGD CCn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)nn1 1590951101 SRHFAMJGYADAJH-UHFFFAOYSA-N 300.286 -0.370 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNc1ccc(C(=O)O)cn1 1598262124 OACROSJFEAGVTL-UHFFFAOYSA-N 316.339 -0.496 50 20 DBGD O=C(O)CCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1601985265 NFAMRGMORFELEQ-MRVPVSSYSA-N 300.315 -0.760 50 20 DBGD O=C(NNC(=O)c1ccncn1)c1ccc(-c2nn[nH]n2)cc1 1606854390 NLHZVSIFPBTNDC-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CN(C)CCO2)cc1 266743487 AEYCLNRTFWKLSD-CYBMUJFWSA-N 307.350 -0.148 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1ccncc1 272612422 WNIMLCJDCBNXIE-UHFFFAOYSA-N 316.383 -0.131 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n1C 273498665 OVXQKSXGRUORPM-QMMMGPOBSA-N 302.356 -0.968 50 20 DBGD COCCN(C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 293640295 NXOXKTRJQOEZFC-UHFFFAOYSA-N 310.310 -0.066 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCc3nn(C)cc32)CC1 377272073 ZBVLWLHPUUPULB-LLVKDONJSA-N 320.397 -0.172 50 20 DBGD O=C(O)CN1CCC(NS(=O)(=O)CBr)CC1 381456882 IRFCFTZNWKMYRQ-UHFFFAOYSA-N 315.189 -0.193 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C 493606184 RWYSVIQRCFKQBM-JTQLQIEISA-N 324.341 -0.211 50 20 DBGD Cc1cncn1CCCNC(=O)c1ccc(B(O)O)c(F)c1 584964702 KYIXLZWNSZNCIT-UHFFFAOYSA-N 305.118 -0.169 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(O)(C(F)(F)F)CC1 584966919 CURHKNAOYPBMLT-UHFFFAOYSA-N 317.072 -0.104 50 20 DBGD C[C@H]1CN(CCN(C)C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)O1 584983750 QFDJNIXQOUAILZ-BETUJISGSA-N 320.198 -0.452 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](C(F)(F)F)[C@@H]1CO 584989504 FHWMQDDPGRUKLT-QWRGUYRKSA-N 317.072 -0.248 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCCCl 696853309 KCOILUHGTSICFC-JGVFFNPUSA-N 305.805 -0.653 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccnc(C2CC2)n1 732629800 CWRXXPWTQIGOQC-SECBINFHSA-N 324.362 -0.450 50 20 DBGD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 735512753 MVYBLGOLQXUMDA-BDAKNGLRSA-N 310.358 -0.333 50 20 DBGD Cc1c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)nnn1C 741523052 JSCABJGJEWUPLR-UHFFFAOYSA-N 317.305 -0.030 50 20 DBGD CCOCC(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 758038689 FIWLGSSSQKZFHS-UHFFFAOYSA-N 315.351 -0.279 50 20 DBGD NC(=O)N[C@@H](CO)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 765469567 PMMVAQHNMZFMCK-QBILUMQKSA-N 324.381 -0.621 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)CSCC(=O)O 767140403 MXYJNSOQVODRIQ-UHFFFAOYSA-N 323.330 -0.098 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 843646640 JSCRAPGCVMLDBH-SCZZXKLOSA-N 324.293 -0.671 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)N=c1cc[nH]cc1 843879827 DYOYBKFMZXXGEM-UHFFFAOYSA-N 315.337 -0.095 50 20 DBGD C=CCNC(=S)NNC(=O)Cn1nc2n(c1=O)CCCC2 845077560 YXKUALFAURAYGI-UHFFFAOYSA-N 310.383 -0.938 50 20 DBGD O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)C1CC1 852009721 OSGYOIFPMSCWMF-AWEZNQCLSA-N 324.425 -0.270 50 20 DBGD C[C@]1(CNC(=O)c2cn(CC(N)=O)nn2)C[C@H]1Br 857399514 WZLOWWYWHXSRKQ-GMSGAONNSA-N 316.159 -0.333 50 20 DBGD CCCC[C@@H](COC)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858233512 PNURZCZAWXLPEL-UWVGGRQHSA-N 300.359 -0.199 50 20 DBGD CN(NC(=O)OCc1ccccc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 862288054 CPDDGGFOLTVKMA-JTQLQIEISA-N 320.305 -0.116 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(F)cc2)N1 863413574 JKYSNBWIEBTYGT-VIFPVBQESA-N 301.299 -0.586 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2sccc2Cl)N1 863413741 YJOVSDNGFRKHBI-LURJTMIESA-N 323.783 -0.010 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCc2ccccc2C1 863466978 JKBLGCQUZGLEAT-LBPRGKRZSA-N 310.375 -0.017 50 20 DBGD COC(=O)N(C)NC(=O)NCC(C)(C)N1CCN(C)CC1 875045900 USVNWVZLAATBQG-UHFFFAOYSA-N 301.391 -0.075 50 20 DBGD OB(O)c1ccccc1CNCC1(O)CCC2(CC1)OCCO2 896687969 DHQLXNQVZXGLKY-UHFFFAOYSA-N 321.182 -0.496 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)c1ccccn1 899908472 ZYHPCOYDTSBYOG-UHFFFAOYSA-N 302.338 -0.086 50 20 DBGD O=C1CCC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)N1 1327031959 VEDNAVKDOKQFTD-SNVBAGLBSA-N 305.338 -0.282 50 20 DBGD COc1c(O)nc(O)nc1C(=O)NNC(=O)c1cccn1C 1328677005 ICCAMAQLNWTPBC-UHFFFAOYSA-N 307.266 -0.690 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn3ccncc23)CC1 1350948223 OIMORAFGBCGWCE-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1C(=O)O 1574678955 VSBQQONYKZUXGJ-UHFFFAOYSA-N 314.319 -0.501 50 20 DBGD CC(C)(C)OC(=O)NOCC(=O)NNC(=O)C1CCNCC1 1575231718 SXLOVVRIIAFPBB-UHFFFAOYSA-N 316.358 -0.410 50 20 DBGD C[C@H]1[C@@H](CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)[C@@H]1Cl 1594188716 VVZYYWYSSDBTHN-ZCLKDUABSA-N 315.757 -0.061 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCn1ccc(C(=O)O)n1 1594644109 LGSHJMYOBGLBKZ-ZJUUUORDSA-N 324.337 -0.066 50 20 DBGD Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)NNC(=O)C(C)C 1605509163 BRCGBWONQTWXPI-UHFFFAOYSA-N 305.298 -0.307 50 20 DBGD CC[C@H](OC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 68177170 ASMXCKKTBXTUEY-NSHDSACASA-N 304.310 -0.152 50 20 DBGD CCS(=O)(=O)NCCNS(=O)(=O)CCCCCl 153414922 XWXZQUTZVIGYND-UHFFFAOYSA-N 306.837 -0.136 50 20 DBGD CN1CC[C@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1=O 265662539 SUMSQASJXGNQPF-LBPRGKRZSA-N 304.350 -0.390 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C#N)cc1 266150447 QRTZAWRDPKAXMJ-UHFFFAOYSA-N 324.362 -0.353 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1nc(-c2cccnc2)no1 270443083 RYJOYTDZEGNQCS-UHFFFAOYSA-N 320.309 -0.321 50 20 DBGD COCCN(C)NC(=O)c1cnc2c(c1)c(=O)nc(O)n2C 288450516 PCXUOMLUGLKTQD-UHFFFAOYSA-N 307.310 -0.743 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 289283082 AADFBLCFAGQQAZ-UHFFFAOYSA-N 319.317 -0.097 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 299245483 WPTXBAAHTNLPPD-JTQLQIEISA-N 321.333 -0.300 50 20 DBGD COC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 490596536 OLEUEKMDFHLFAE-UHFFFAOYSA-N 321.380 -0.159 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cn1 491162015 QELREPKIZYAWKK-JVOXIWMLSA-N 323.378 -0.523 50 20 DBGD CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(B(O)O)c(F)c1 584972965 APIPFBSAJZQQCH-JTQLQIEISA-N 323.051 -0.109 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCOCC2(CCOCC2)C1 584977752 ZGODCDDCTJLBKH-UHFFFAOYSA-N 319.166 -0.364 50 20 DBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)C[C@]2(CCOC2)O1 584984368 UQAQAAZZZBKBEJ-INIZCTEOSA-N 319.166 -0.224 50 20 DBGD CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(B(O)O)cc1 584992099 HTEMRVCWVJSKCD-NSHDSACASA-N 306.171 -0.351 50 20 DBGD OB(O)c1ccc(CNCCc2nncn2C2CC2)c(F)c1 585025457 UWWPWKUAIXLBSZ-UHFFFAOYSA-N 304.134 -0.236 50 20 DBGD CNC(=O)COc1cccc(CNCc2ccc(B(O)O)o2)c1 585040912 RRLCIQNLFJWLGS-UHFFFAOYSA-N 318.138 -0.626 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 725742002 YOGGXFGEVJYPIK-MRVPVSSYSA-N 310.310 -0.929 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2COCCO2)c1 728949208 QDAFAYQUDSYVCM-LBPRGKRZSA-N 304.306 -0.082 50 20 DBGD CN(C)c1nccc(NNC(=O)CCSc2nnnn2C)n1 740112501 LJWDRKMWXQHMON-UHFFFAOYSA-N 323.386 -0.308 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCSC[C@@H]1CC(=O)OC 747659798 SQZXXKBJFPFUEU-ZJUUUORDSA-N 317.411 -0.087 50 20 DBGD CCn1cc([N+](=O)[O-])c(C(=O)NNC(=O)NCCCOC)n1 756811766 IKVODNQXPFBOMN-UHFFFAOYSA-N 314.302 -0.208 50 20 DBGD CCOCC(=O)NNC(=O)NCc1ccc2c(c1)C(=O)NCC2 758682967 JOCVDWUPCRXISB-UHFFFAOYSA-N 320.349 -0.161 50 20 DBGD Cn1c(=O)c2nc(CN3CC=C(C#N)CC3)[nH]c2n(C)c1=O 779585500 DGYHCGDBIGCLLS-UHFFFAOYSA-N 300.322 -0.384 50 20 DBGD CC(=O)N1CC(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)C1 788159741 SAKAFYIVMFBAQJ-VIFPVBQESA-N 313.354 -0.410 50 20 DBGD CN(C)c1c(C=NNC(=O)c2ccc[nH]2)c(=O)n(C)c(=O)n1C 807960069 LEVQKZOBFVLQOE-UHFFFAOYSA-N 318.337 -0.758 50 20 DBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 833454836 UZYDDWHJPQHHAB-MRVPVSSYSA-N 320.367 -0.541 50 20 DBGD CN(NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1)C1CC1 846267696 BGKZUCZGJCHCBW-ZDUSSCGKSA-N 309.341 -0.029 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)COCc1ccccc1 847512688 WWOIEOIFHSQSSQ-RYUDHWBXSA-N 305.334 -0.138 50 20 DBGD C[C@@]1(CNC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1Br 857385152 DXZNPYISLCYPIG-WKEGUHRASA-N 316.159 -0.333 50 20 DBGD CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1(C)C 858347947 JOQNPWCXQUIQGB-JZSSXWJLSA-N 312.370 -0.345 50 20 DBGD Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 861947239 SNIPCGHENUEYIX-JTQLQIEISA-N 322.296 -0.501 50 20 DBGD O=C(CSCc1ccccn1)NNC(=O)[C@H]1CCC(=O)N1 862452028 IRFLBMBHSBZZBY-SNVBAGLBSA-N 308.363 -0.259 50 20 DBGD COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)cc1 863879705 YNACSAFBCHBHSO-SECBINFHSA-N 319.044 -0.410 50 20 DBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)OC)cn1C 1116627844 YLHBXXTXZIMVFH-UHFFFAOYSA-N 312.282 -0.473 50 20 DBGD Cc1nn(C)c(N)c1C=NNC(=O)CNC(=O)c1ccco1 1117704225 RJRKUBQUEYTJNV-UHFFFAOYSA-N 304.310 -0.216 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nnnn1CC1CC1 1118126652 SQPNKJGSTPQEGE-SCZZXKLOSA-N 323.357 -0.662 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)NC1CC1 1318537602 YAEOXDUMFNQMGH-UHFFFAOYSA-N 301.306 -0.318 50 20 DBGD Cn1ncc2c(O)nc(CCC(=O)NN=c3cc[nH]cc3)nc21 1320203640 UGIWCTVIKJGETI-UHFFFAOYSA-N 313.321 -0.038 50 20 DBGD O=C(NCC(F)F)C(=O)NNc1nc(-c2ccncc2)no1 1323784368 DNDGWSYPYOMMEH-UHFFFAOYSA-N 312.236 -0.044 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(-n2cccc2)c1 1323943252 BMCFJPOBXHSAPQ-UHFFFAOYSA-N 316.317 -0.054 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[Si](C)(C)c1ccccc1 1323975653 TXDZOVIMAPJXAT-UHFFFAOYSA-N 309.398 -0.355 50 20 DBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)NCC(F)(F)F)C1 1325106982 FVNAQJQVTKEBRJ-LURJTMIESA-N 311.264 -0.330 50 20 DBGD Cn1cc(C=NNC(=O)C2CCN(c3ncccn3)CC2)nn1 1335768724 RPQHMXVZSMLHBH-UHFFFAOYSA-N 314.353 -0.028 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1336752559 YRYNKXAYNUTJMY-SNVBAGLBSA-N 310.383 -0.183 50 20 DBGD CCOCCCNC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 1337046529 GPROAAACHSBGEF-VIFPVBQESA-N 323.440 -0.657 50 20 DBGD C[C@]1(NNC(=O)NCCc2cn[nH]c2)CCS(=O)(=O)C1 1347435198 PGWFMOICBIGIBH-NSHDSACASA-N 301.372 -0.667 50 20 DBGD C[C@@]1(CNC(=O)C(=O)NCC2(N)CC2)C[C@@H]1Br 1356460209 AILWFHWYIVKTAO-XVKPBYJWSA-N 304.188 -0.116 50 20 DBGD Cc1nc(-c2cccnc2)nc(NNC(=O)C2(O)CNC2)c1C 1574112127 IEWVUUVMFDHHQJ-UHFFFAOYSA-N 314.349 -0.067 50 20 DBGD NCCn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1 1580319999 KYMCUJSDXYRPJH-UHFFFAOYSA-N 306.301 -0.620 50 20 DBGD CC(C)n1cc(S(=O)(=O)NNC(=O)NCC(=O)O)cn1 1592131363 RGPPXNRIECDQGM-UHFFFAOYSA-N 305.316 -0.959 50 20 DBGD Cn1cc(C(=O)NN=Cc2nc(-c3nn[nH]n3)cs2)cn1 1592565936 OVQUJRYEOACUMX-UHFFFAOYSA-N 303.311 -0.179 50 20 DBGD CNC(=O)NNC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C 1598650954 RWPVWTVHYDVPAL-ZETCQYMHSA-N 318.330 -0.295 50 20 DBGD Cc1cc(=NNC(=O)Cn2cccc(C(=O)O)c2=O)cc[nH]1 1600283148 NGBNYXBUZJRBDS-UHFFFAOYSA-N 302.290 -0.185 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@@H]1CCCCO1 1605453178 VXRUYKIUGKQEEP-JTQLQIEISA-N 319.325 -0.167 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)cc1 49152483 FBXLNXKESNPVTP-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)CN1CSCC1=O 265570468 AZWNLJAHOFRZDL-UHFFFAOYSA-N 323.374 -0.117 50 20 DBGD Cc1nccn1CCCNC(=O)c1ccc(B(O)O)c(F)c1 584932097 GDSAMTXNQMBAAC-UHFFFAOYSA-N 305.118 -0.169 50 20 DBGD Cc1ccc([C@](C)(O)CNC(=O)c2ccc(B(O)O)cc2)o1 584954944 QDHLXOHVYJMPIH-OAHLLOKOSA-N 303.123 -0.095 50 20 DBGD CCS[C@@H]1CC[C@@]1(O)CNC(=O)c1ccc(B(O)O)cc1 584957231 MSJBDLZYVLOVCY-TZMCWYRMSA-N 309.196 -0.257 50 20 DBGD CC(=O)NC1CCC(N(C)C(=O)c2cccc(B(O)O)c2)CC1 584973419 CKPZKLVUSILKAF-UHFFFAOYSA-N 318.182 -0.114 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN[C@H](c2ccncc2)C1 584986594 GWMBUAJEVGUSEG-HNNXBMFYSA-N 311.150 -0.452 50 20 DBGD OB(O)c1ccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)o1 585028221 HCFGWNUNJGGBNL-KGLIPLIRSA-N 308.187 -0.308 50 20 DBGD O=C(CCCNCc1cccc(B(O)O)c1)Nc1cn[nH]c1 585030354 ZFPYSVLFOXNCAI-UHFFFAOYSA-N 302.143 -0.402 50 20 DBGD CNS(=O)(=O)c1ccc(N2CC[C@H](B(O)O)C2)c(F)c1 585078448 DOLLJHUGWILHHK-QMMMGPOBSA-N 302.136 -0.213 50 20 DBGD O=C(O)NCCC(=O)OCC(=O)NNC(=O)c1ccccc1 739948242 IXDIOPXLUYMQLA-UHFFFAOYSA-N 309.278 -0.352 50 20 DBGD CCNC(=O)CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 744389098 JHOGROPBGDSGJP-UHFFFAOYSA-N 317.349 -0.613 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)CNC(=O)c1cccs1 751208569 HBCGFSOSPAEZNR-UHFFFAOYSA-N 312.351 -0.896 50 20 DBGD O=C(CO)NNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 753444863 BRDNJRLIDPWORY-UHFFFAOYSA-N 320.261 -0.339 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CN1C1CC1 753942812 FPTDCSNQIXWLKI-WCBMZHEXSA-N 309.370 -0.779 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 755638892 BOPUFPIDMXZWRT-NSHDSACASA-N 322.321 -0.051 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1 757771682 JOTIYSKTERHOTF-SKDRFNHKSA-N 306.370 -0.153 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2nccn(C)c2=O)n1 757905214 GUDXZPNNXPQSCW-UHFFFAOYSA-N 319.325 -0.553 50 20 DBGD COC(=O)C[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 759052195 IEUZKQYBJDPJOY-ZJUUUORDSA-N 306.384 -0.322 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)no1 763823507 CIDQHMNEHHNSRM-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)nc1 763824997 SZPQDBSKPJXBII-UHFFFAOYSA-N 324.300 -0.461 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CCN(C)C1=O 776124121 ZXBZGZJSUOKCTF-LLVKDONJSA-N 305.334 -0.137 50 20 DBGD CC(C)NC(=O)C(=O)NN=C1CCC[C@H](S(C)(=O)=O)C1 788423191 SXQWOAAPURSRCW-JTQLQIEISA-N 303.384 -0.030 50 20 DBGD C[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)n1cnc(C#N)n1 798991022 VSPPVIBQULWETR-YFKPBYRVSA-N 307.705 -0.120 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)C[C@@H](C)OC 800837042 KUDAJBIIMNQLCN-MRVPVSSYSA-N 309.388 -0.723 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2c(nnn2CCOC)C1 815129006 FOAQVWJBNZYTIG-JTQLQIEISA-N 324.385 -0.772 50 20 DBGD N#CSCCCNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 816539040 PVCKILAUFLSNGN-IQIPOGNMSA-N 323.374 -0.131 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)CCOCC1CC1 818048520 KRACKXVCZXBMGT-UHFFFAOYSA-N 309.388 -0.417 50 20 DBGD COCn1ccc(C(=O)NNC(=S)NCCSC)n1 831575292 FDBAEBFPUNHNOV-UHFFFAOYSA-N 303.413 -0.041 50 20 DBGD COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)C(=O)N2 863144821 BEHMQTPQKGXOKZ-SNVBAGLBSA-N 302.290 -0.254 50 20 DBGD NC(=O)[C@@H](Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCC(=O)N1 863379199 QGFBDAZCQJBUGC-WDEREUQCSA-N 324.768 -0.364 50 20 DBGD CC(C)(C)c1ncc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 863465807 GOXCPHBHVCAXJY-UHFFFAOYSA-N 314.367 -0.420 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCN(CC(F)F)C2)N1 869385583 OGULDYBQFHYVIO-IUCAKERBSA-N 318.324 -0.611 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1ccc(C)cc1 872382221 LXOYLALQMOPISG-UHFFFAOYSA-N 302.352 -0.032 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1ccccn1 915635871 UBKLLTDOVVTDFM-UHFFFAOYSA-N 304.306 -0.228 50 20 DBGD CCCNC(=O)NNC(=O)c1c(C)oc(C)c1S(N)(=O)=O 921038224 KHGPPNDEZJKLEB-UHFFFAOYSA-N 318.355 -0.102 50 20 DBGD Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)C(=O)NC1CC1 1115855726 OYUKIFWJBQHKBH-UHFFFAOYSA-N 307.354 -0.243 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccnn2C)c(O)c1 1254897582 XQYFCPUNBXUYKZ-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD CCc1noc(CCCC(=O)NNC(=O)C(=O)N2CCCC2)n1 1318081579 IZLSBJXTGPFQGX-UHFFFAOYSA-N 323.353 -0.276 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCN1 1319469229 RPZNFEWXPAIPJT-MRVPVSSYSA-N 305.338 -0.424 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)Cc1ccncc1)CC2 1324043214 UTXRISVUOOEQEK-NSHDSACASA-N 314.349 -0.295 50 20 DBGD COc1ccc(C(=O)NNC(=O)C2(S(N)(=O)=O)CC2)cc1 1328656980 VNLXDDFQYBCDLS-UHFFFAOYSA-N 313.335 -0.723 50 20 DBGD CCc1cnc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1334907260 ODSQPYRTPPOXQM-QMMMGPOBSA-N 311.367 -0.186 50 20 DBGD CSCCNC(=S)NNC(=O)c1coc(C(N)=O)c1 1337847015 QKRWJHQDOJQHPJ-UHFFFAOYSA-N 302.381 -0.150 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CCNC2=O)CC1 1348898621 GBGQHUOOPVSZFY-QWRGUYRKSA-N 324.381 -0.246 50 20 DBGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)[C@@H]1CCCNC1 1580509219 SYPXCKGGXAKOPE-VHSXEESVSA-N 301.368 -0.918 50 20 DBGD C=CCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 1588658309 GBFGTRROPOHXDI-UHFFFAOYSA-N 317.309 -0.238 50 20 DBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)n1C 1592449230 IXAGHMAKQFNPRF-UHFFFAOYSA-N 315.297 -0.234 50 20 DBGD O=C(O)c1cncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 1602541539 FJWOFDOAPJYXTM-MRVPVSSYSA-N 300.101 -0.983 50 20 DBGD CNC(=O)NNC(=O)C(F)(F)c1ccccc1-c1nn[nH]n1 1604885768 AWRNYYIGNIMMHW-UHFFFAOYSA-N 311.252 -0.081 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1 1842301392 OPOIZQUESSOXQG-VIFPVBQESA-N 312.757 -0.174 50 20 DBGD COCCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842771519 GJKRRYAERVTPBW-SNVBAGLBSA-N 304.774 -0.174 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 42871178 OICPFBZODJJKBP-SSDOTTSWSA-N 301.328 -0.702 50 20 DBGD O=C(NNC(=O)c1nc(=O)[nH][nH]1)c1cc(-c2ccccc2)n[nH]1 127511229 JRXSQHVDQQLFTB-UHFFFAOYSA-N 313.277 -0.437 50 20 DBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)C(=O)NC(C)C 264792653 SIKUDENBUZAGJP-UHFFFAOYSA-N 314.386 -0.303 50 20 DBGD C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 281631732 VCRRWSFLDSROTQ-GXSJLCMTSA-N 310.354 -0.423 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 298128394 ASPAVLWSYXUBSX-SNVBAGLBSA-N 321.333 -0.110 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cnc[nH]1 491569178 QMHHVIONXAYOFC-UHFFFAOYSA-N 312.330 -0.122 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1=O 494642789 ZJWTUVMEVHTRGG-MRVPVSSYSA-N 314.342 -0.863 50 20 DBGD CCN(CC)C(=O)CCCNC(=O)c1cccc(B(O)O)c1 584945712 LMYSXIXNLVKDQE-UHFFFAOYSA-N 306.171 -0.255 50 20 DBGD O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(B(O)O)cc1 584965131 MREOKIPWVHKXMQ-AWEZNQCLSA-N 311.150 -0.230 50 20 DBGD C[C@H](O)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C)C1 584973759 GCUKZLSDOKINJA-QWRGUYRKSA-N 324.161 -0.967 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)[C@@]12CCCO2 584975699 NDVJTEANCWTZNG-FMKPAKJESA-N 319.166 -0.177 50 20 DBGD CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584998243 CVSYRGCGVVWVIF-CYBMUJFWSA-N 319.170 -0.758 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1 726001965 MXOSZIRGQYRQSA-VIFPVBQESA-N 304.306 -0.391 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)CN1CCC(=O)NC1=O 731865692 RKHPEARICIMFDT-UHFFFAOYSA-N 322.296 -0.543 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)c1ccncc1 743734538 YENUZUNXHUHIRM-UHFFFAOYSA-N 304.266 -0.044 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(C(N)=O)c1 748615576 RBGLPKFUMBRCKW-SECBINFHSA-N 324.337 -0.010 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 754968619 XNLQQICVXFKAHB-AWEZNQCLSA-N 310.306 -0.384 50 20 DBGD Cn1cc(C=NNC(=O)c2csc(N3CCOCC3)n2)nn1 755563719 VVQDMPYUQXRQGI-UHFFFAOYSA-N 321.366 -0.128 50 20 DBGD COC(=O)CNC(=O)NN=C(C)C1CCS(=O)(=O)CC1 777446528 MHAYMRNFQQDCBZ-UHFFFAOYSA-N 305.356 -0.341 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCO3)cn1 777934567 RLZPFQRWVBSHBV-UHFFFAOYSA-N 324.318 -0.228 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(Cl)n1 793024135 ADVNEGRMBGCVIG-UHFFFAOYSA-N 300.702 -0.143 50 20 DBGD CNC(=O)CC[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 796592214 FSQXBPMZRGIEPJ-GFCCVEGCSA-N 310.398 -0.076 50 20 DBGD COc1cc(C(C)=NNC(=O)Cc2cc(O)nc(O)n2)on1 814859949 HXRBBBZTFPTAON-UHFFFAOYSA-N 307.266 -0.033 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cnc(OC)nc1 854282074 QHTITMLAKKBFJK-UHFFFAOYSA-N 313.383 -0.027 50 20 DBGD O=C(CO)NNC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 857169751 KSVNPNBZZRUWIM-UHFFFAOYSA-N 319.239 -0.130 50 20 DBGD Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858696516 MOEXROKFKQYDQX-VXGBXAGGSA-N 320.349 -0.363 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H](c3cccnc3)C2)N1 858702400 JDHKABBQDPPFCT-VXGBXAGGSA-N 317.349 -0.110 50 20 DBGD CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452674 MWHIBJZCNAQFKY-QWRGUYRKSA-N 324.381 -0.551 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(S(N)(=O)=O)o2)O1 862886313 PREHYYBCIMNUSX-RNFRBKRXSA-N 317.323 -0.745 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCCN(CC(F)F)C2)N1 869385581 OGULDYBQFHYVIO-DTWKUNHWSA-N 318.324 -0.611 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CN2CCCNC2=O)n1 915618104 RDFRYOCINFPMAJ-UHFFFAOYSA-N 308.342 -0.937 50 20 DBGD CC(C)NC(=S)NNC(=O)c1csc(S(N)(=O)=O)c1 1115819491 MQDCDCYXHLAUKP-UHFFFAOYSA-N 322.437 -0.087 50 20 DBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1 1116623527 LFEFLICPVICXII-UHFFFAOYSA-N 318.333 -0.068 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1n[nH]cc1I 1119103674 CRJHETYJZLFYRO-RXMQYKEDSA-N 324.122 -0.028 50 20 DBGD COCC1(C(=O)NNc2ccc(C(N)=O)nn2)CCOCC1 1261204012 CJUKGINBXDZYGC-UHFFFAOYSA-N 309.326 -0.538 50 20 DBGD O=C(CC[C@H]1CCCO1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317977748 KCSOFPQZLQYRTE-VHSXEESVSA-N 319.383 -0.537 50 20 DBGD Cc1n[nH]cc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1321717769 FGVPJZQHEFWNJU-NSHDSACASA-N 301.372 -0.401 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1326832130 FMRDOABTHPZBBR-CBAPKCEASA-N 310.285 -0.268 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)C[C@H](O)CN2)cc1 1574156736 PPPXCTABRIUNSD-XHDPSFHLSA-N 307.350 -0.366 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(B(O)O)c1 1593165607 SZKXTOBLSOQSNN-UHFFFAOYSA-N 324.109 -0.697 50 20 DBGD Cc1ncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1C(=O)O 1607984203 VUWZSODLCZMPSP-MRVPVSSYSA-N 314.128 -0.674 50 20 DBGD O=C(c1ncc[nH]1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556784 NZTGOOLKKLSWSD-GUBZILKMSA-N 312.757 -0.175 50 20 DBGD CN(CC(=O)NNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 68011488 ABQPMSCWYCTINF-SECBINFHSA-N 321.399 -0.339 50 20 DBGD CC(C)(CNS(=O)(=O)CCCCl)NS(C)(=O)=O 104408629 MPPFLICMUAWLKO-UHFFFAOYSA-N 306.837 -0.138 50 20 DBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1=O 265222706 UAZGIYWMMHXXTH-LBPRGKRZSA-N 319.365 -0.036 50 20 DBGD O=C(NCCOCc1ccccc1)NNC(=O)C(=O)NC1CC1 267098031 WEYXXBYYMAGVCU-UHFFFAOYSA-N 320.349 -0.188 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2cncc(Cl)n2)O1 268475430 ZOJGQQKBZCHQCJ-NKWVEPMBSA-N 314.733 -0.211 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1SCCS1 270527954 SYAYIWJAUUXXBP-UHFFFAOYSA-N 315.376 -0.037 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccncn2)C[C@@H](C)O1 275237329 VXMQMOSAPNULSG-PHIMTYICSA-N 307.354 -0.263 50 20 DBGD CCOC1CC(C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 287211651 VJPDCGFDYDVQGA-UHFFFAOYSA-N 320.349 -0.226 50 20 DBGD O=C(NCCNC(=O)c1ccccc1)NNC(=O)[C@@H]1CCCO1 291802955 XZRGWJAYROFEOA-LBPRGKRZSA-N 320.349 -0.074 50 20 DBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 391330411 WDCZWOHFFRDXFC-LBPRGKRZSA-N 321.333 -0.679 50 20 DBGD CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)CO 496626228 WGEOJHYOMFOQOW-MRVPVSSYSA-N 305.331 -0.944 50 20 DBGD COCCCn1ccc(NC(=O)c2ccc(B(O)O)cc2)n1 584949099 CVPHDWNROUPGJG-UHFFFAOYSA-N 303.127 -0.148 50 20 DBGD Cc1cc(NCCNC(=O)c2cc(B(O)O)ccc2F)n(C)n1 584984300 UJGYSTXWZHZEMT-UHFFFAOYSA-N 320.133 -0.611 50 20 DBGD CC(C)(CN1CCOCC1)NC(=O)c1cccc(B(O)O)c1 585002125 NIQUKEGXMPYXAP-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD OB(O)c1cccc(CNC2CCN(C[C@@H]3CCOC3)CC2)c1 585024995 JHGBOYTVEZTXOF-HNNXBMFYSA-N 318.226 -0.043 50 20 DBGD CCOc1ccc(C(=O)N[C@@H](C(=O)NCB(O)O)C(C)C)cc1 585054933 USWLINYVEUEHDS-CYBMUJFWSA-N 322.170 -0.032 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)CC(F)(F)F)CCO1 726261730 ULELDCNAYKZVEN-MRVPVSSYSA-N 312.292 -0.010 50 20 DBGD O=C1CC(C(=O)NNC(=O)c2cc(Br)c[nH]2)=NN1 731864819 FBZYHOIXUDCBRG-UHFFFAOYSA-N 314.099 -0.586 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc(N(C)C)s1 755698068 IAVUYBLXPKGASD-ZETCQYMHSA-N 319.412 -0.403 50 20 DBGD CCc1ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 758038655 FYQDPYSMQIZAAO-ZCFIWIBFSA-N 320.396 -0.596 50 20 DBGD O=C(CNC(=O)c1cccnc1)NN=C1CCS(=O)(=O)C1 763204290 KOPUNVWCPKHRAA-UHFFFAOYSA-N 310.335 -0.898 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)C(C)(C)C(N)=O)cc1 769862581 CJTYSKWEPZAJDH-UHFFFAOYSA-N 308.338 -0.234 50 20 DBGD COC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772233119 VQCBYANNJLNPLS-IUCAKERBSA-N 317.342 -0.144 50 20 DBGD CC1CCC(NS(=O)(=O)CC(=O)NN(C)C(N)=O)CC1 778416951 LGSQQDOSFYMKFY-UHFFFAOYSA-N 306.388 -0.474 50 20 DBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C(C)(C)O)co1 787947777 VMQQGFHWJZJUQQ-UHFFFAOYSA-N 319.339 -0.938 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCCNC(=O)C2CC2)n1 792793091 CFYWFKAGKQWWFI-UHFFFAOYSA-N 305.338 -0.140 50 20 DBGD COCCN1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1=O 801602400 GFECUMYTFQGGBP-NSHDSACASA-N 314.386 -0.684 50 20 DBGD CN(C)c1ncc(C=NNC(=O)CNC(=O)c2ccco2)n1C 811640636 XNBSGYIQFUHELP-UHFFFAOYSA-N 318.337 -0.041 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)CC(C)(C)C 811977830 SMNIIZOCJGZAIU-UHFFFAOYSA-N 308.404 -0.356 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21 841999730 ISDDYCKZTHENOZ-WOFXILAISA-N 308.313 -0.247 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NN=C1CCN(S(C)(=O)=O)CC1 842551891 GDOLLXUQFYQXRI-MWLCHTKSSA-N 303.384 -0.061 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 843661892 OFZSLABQHVLFOH-SFYZADRCSA-N 308.294 -0.551 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)c1ccccn1 845072144 MTPBMKYWDWRITE-UHFFFAOYSA-N 316.321 -0.763 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)N2)c(O)c1 846632752 QPXODKDDEDACGZ-SECBINFHSA-N 313.335 -0.847 50 20 DBGD CO[C@H](C)CNC(=O)NNC(=O)CNC(=O)c1cccs1 852037408 QEPVRUMQTIDTAR-MRVPVSSYSA-N 314.367 -0.157 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H](C)N1CCN(C)CC1)C1CC1 855100923 LQLVRUIHPRLUFE-WDEREUQCSA-N 313.471 -0.084 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H](C)N1CCOCC1 858235782 RBFQSONGADAOOM-VHSXEESVSA-N 310.358 -0.537 50 20 DBGD O=C(NC[C@@H]1COCCN1)NNc1ccc(-n2cccn2)nn1 861682434 YFDWAZRYMWPQAL-SNVBAGLBSA-N 318.341 -0.723 50 20 DBGD C[C@@H](NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(F)(F)F 862320002 CWSFXEYSMLTEBJ-RNFRBKRXSA-N 318.321 -0.527 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)N1 862456261 WRBSHZRSJLNHGJ-SECBINFHSA-N 310.241 -0.227 50 20 DBGD COC(=O)c1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862457519 LBZWKYYHDSQFEF-LLVKDONJSA-N 319.317 -0.558 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)N1 862458738 IERRMTHGSZKRPH-KYSNCLIWSA-N 315.373 -0.194 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncnc3ccsc23)N1 862464372 XQUUHWOCIHGQAT-SSDOTTSWSA-N 305.319 -0.269 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)oc1C 864231813 SSHROMLEUZNSNK-MRVPVSSYSA-N 317.128 -0.388 50 20 DBGD C#CCCCC(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O 887139595 WBYFOCQPLSWHOR-UHFFFAOYSA-N 308.338 -0.389 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1[C@@H]2CCC(=O)[C@@H]12 896666767 UBUNSVAXORHPMY-ICCXJUOJSA-N 317.349 -0.019 50 20 DBGD C#CCN1CCC(C(=O)NNc2ccc(C(N)=O)nn2)CC1 1116252573 GOAZLUJZDNLJQC-UHFFFAOYSA-N 302.338 -0.636 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)O1 1116269026 UWJLKMFRIRJDRU-WDSKDSINSA-N 312.248 -0.698 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 1118858619 OKTCVMRGELIQQQ-NWDGAFQWSA-N 320.349 -0.017 50 20 DBGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CCl)c1 1319683169 ZCMZSWQGPJHELB-UHFFFAOYSA-N 319.770 -0.112 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1ncnn1C 1320680666 MIAMJZIOBQONIP-DTWKUNHWSA-N 314.346 -0.742 50 20 DBGD COC(=O)C1=C/C(=C/NNC(=O)C[n+]2ccccc2)C(=O)C=C1 1322446716 UUELTVDTRRXJEL-UHFFFAOYSA-O 314.321 -0.283 50 20 DBGD COCC(=O)Nc1ccc(NC(=O)NNC(=O)CCO)cc1 1323984711 BWOSIQNVBKJTAT-UHFFFAOYSA-N 310.310 -0.193 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCNC2=O)CC1 1332383857 JYHNCQDCBJDFRP-UHFFFAOYSA-N 302.139 -0.891 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNc2nc[nH]n2)CC1 1332929263 UWKOCMAHSYBICQ-UHFFFAOYSA-N 302.360 -0.691 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)ccc1C 1599143179 OHVXXDTYJYJXCJ-UHFFFAOYSA-N 309.278 -0.574 50 20 DBGD O=C(COC(=O)c1cc[n+]([O-])cc1)NNC(=O)c1ccccc1 5961500 RYTXLDYSDRBHSV-UHFFFAOYSA-N 315.285 -0.062 50 20 DBGD COCCNC(=S)NNC(=O)c1ccc(-n2cnnn2)cc1 13544446 YUHHAHDMFQEESW-UHFFFAOYSA-N 321.366 -0.582 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)NC1CC1 64428214 WRLBNGJLTNWYCG-UHFFFAOYSA-N 309.326 -0.656 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1cnc2ccccc2c1=O 75653325 IDPZRJQOTKFBLA-UHFFFAOYSA-N 303.322 -0.895 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)NC(=O)c1ccoc1 109858641 UATYPGZMIUGPRZ-MRVPVSSYSA-N 305.294 -0.109 50 20 DBGD CCc1[nH]c(C(=O)NNC(=O)CN(C)C)c(C)c1C(=O)OC 263911074 KTWBAGZNOPKMKE-UHFFFAOYSA-N 310.354 -0.005 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1cccnn1 265562117 TYDBMXDPYYZUHZ-RBJBARPLSA-N 313.317 -0.273 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)c2cccn2C)CC1=O 266823140 LBXHJPIURDFJDB-LLVKDONJSA-N 321.381 -0.804 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNc1ccc(C(N)=O)nn1 268104209 BPZQLRLQZJTVIG-UHFFFAOYSA-N 324.341 -0.067 50 20 DBGD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NN(C)C(N)=O 271255057 FRJNHCOBSQMITB-ZETCQYMHSA-N 309.282 -0.245 50 20 DBGD CC[C@H](CCNC(=O)c1ccc(B(O)O)cc1)N1CCCC1=O 584939577 JYTOVTDBVGMGOY-CQSZACIVSA-N 318.182 -0.113 50 20 DBGD O=C(NCCOC[C@@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584942670 VVCTUKDZCYNXHY-SNVBAGLBSA-N 311.118 -0.712 50 20 DBGD Cc1nnc2n1C[C@H](CNC(=O)c1cccc(B(O)O)c1)CC2 584950489 KDQKYVUGCFQPQD-NSHDSACASA-N 314.154 -0.741 50 20 DBGD C[C@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CN1C1CC1 584958070 OVLSNQJAEDEWQP-ONGXEEELSA-N 306.146 -0.140 50 20 DBGD CC1=CCN(CCNC(=O)c2cc(B(O)O)ccc2F)CC1 584973688 BPCQVNCKKKXRCP-UHFFFAOYSA-N 306.146 -0.113 50 20 DBGD CSC[C@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 731343115 KASFTQLDVXEQTI-JGVFFNPUSA-N 309.413 -0.497 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H]2COCCO2)c1 744718066 ALTSDCIKTHIHRV-GFCCVEGCSA-N 322.317 -0.285 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)n1cncn1 746549873 IDPYRWVECOXACQ-SNVBAGLBSA-N 313.321 -0.123 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 749599120 KUMCJAPTNOOMDY-GFCCVEGCSA-N 324.381 -0.292 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c[nH]1 753165926 RINFJGFBOYWWBR-ZETCQYMHSA-N 316.339 -0.811 50 20 DBGD CCN(CC)CCNC(=O)NNC(=O)C(=O)Nc1ccccn1 758671085 SYHJINIREGTDFN-UHFFFAOYSA-N 322.369 -0.308 50 20 DBGD O=C(NNC(=O)c1cnn[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 778708827 WRHDGIRYRXEPJR-UHFFFAOYSA-N 320.221 -0.484 50 20 DBGD COc1nccnc1NNC(=O)CC(=O)NCC(F)(F)F 789909451 OSODSBCGKFTZOE-UHFFFAOYSA-N 307.232 -0.003 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNC(=O)C2CCCC2)nn1 790828936 CUQJUCRMLNIIOX-UHFFFAOYSA-N 324.341 -0.415 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C[C@H]1CCCOC1 795181197 JBWQUVSWLWGFRZ-LLVKDONJSA-N 320.349 -0.225 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnc2c1nnn2C 801496392 IXVPCYIGUOBCAC-SSDOTTSWSA-N 320.309 -0.534 50 20 DBGD CN(C)c1noc(CNC(=O)NNC(=O)CC(F)(F)F)n1 812219264 TWAUZPCUTKLIJB-UHFFFAOYSA-N 310.236 -0.082 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCOC[C@H]1CCCO1 826015532 AEBQSJYRXPFCCX-QJPTWQEYSA-N 315.370 -0.063 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cn1)NN=c1cc[nH]cc1 826414412 UXMRGCHQHQFQDT-UHFFFAOYSA-N 311.309 -0.366 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC(=O)N[C@H](C)C2)cc1 831763922 POMLIBQWLCOWTK-LLVKDONJSA-N 304.350 -0.424 50 20 DBGD Cc1ccc(C(=O)NNS(=O)(=O)N2CCCOCC2)o1 844658332 ZPEQFWXXQIVDAB-UHFFFAOYSA-N 303.340 -0.210 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2ccncn2)C1 846722872 VXUPMXZUDNLBNJ-MRVPVSSYSA-N 300.344 -0.863 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)COc1ccccc1F 847286387 NVQNJCRDXCYQRJ-IUCAKERBSA-N 309.297 -0.137 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC=O)C(C)C 860382945 QRIANWRSAMDPJE-JQWIXIFHSA-N 315.370 -0.118 50 20 DBGD CCOC(=O)C1(CC(=O)NNC(=O)CS(C)(=O)=O)CCC1 863465207 XCXHBSRUMXJHBM-UHFFFAOYSA-N 320.367 -0.698 50 20 DBGD CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 863879433 SPEWATYLAYSITN-IUCAKERBSA-N 311.118 -0.177 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1OCCN(C)C1=O 901089050 NPZZMCNKEOIISB-ZDUSSCGKSA-N 305.334 -0.458 50 20 DBGD CCOC(=O)N[C@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118810809 MVMVICJOBLNGAB-JTQLQIEISA-N 324.341 -0.025 50 20 DBGD CN1CCC(CCNC(=O)NNC(=O)C(=O)NC2CC2)CC1 1251614776 LLJFWXOSDHTKAF-UHFFFAOYSA-N 311.386 -0.673 50 20 DBGD O=C(NNc1cccnn1)NC1CCC2(CC1)NC(=O)NC2=O 1261099554 SLLWZJKPWCFADK-UHFFFAOYSA-N 319.325 -0.377 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1 1320241173 NZXMJWXAHKDTNJ-UHFFFAOYSA-N 312.289 -0.011 50 20 DBGD CC(=O)N1CCC(C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 1321257969 JUNCDZAFNZHEMC-UHFFFAOYSA-N 305.338 -0.085 50 20 DBGD O=C(CCCc1nc(C2CC2)no1)NNC(=O)C(=O)NC1CC1 1322011148 CDPJRWXULDFEIE-UHFFFAOYSA-N 321.337 -0.304 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc2n(n1)CCCC2 1323245432 XOAJWKUORXKCJR-UHFFFAOYSA-N 308.342 -0.150 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2cnnc2[S@@](C)=O)cc1 1327920351 LJZMDUFNISZWFV-JOCHJYFZSA-N 321.362 -0.215 50 20 DBGD Cn1ncc(C(=O)N2CC[C@@H](B(O)O)C2)c1Br 1335429438 CAJVNPXWELYFPQ-ZCFIWIBFSA-N 301.937 -0.129 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n(C)n1 1349152649 JZQDOZMPXWNXBO-SCZZXKLOSA-N 323.353 -0.507 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1(C(=O)O)CC1 1589692927 QVUASBMOGJQSLP-UHFFFAOYSA-N 313.354 -0.059 50 20 DBGD COC[C@@]1(C(=O)O)CCCCN1CC(=O)NNC(=O)C1CC1 1599187727 IFGPKUUDLAWKAR-CQSZACIVSA-N 313.354 -0.501 50 20 DBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)C(=O)O)cc1 1599770739 ITUZILATIFWEJE-UHFFFAOYSA-N 301.280 -0.673 50 20 DBGD Cn1c(C(=O)NNC(=O)c2cccnc2)ccc1-c1nn[nH]n1 1606210850 BTNMXOAOKBZGML-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1sccc1-c1nn[nH]n1 1609558113 PRESIUJJQXWNCS-SSDOTTSWSA-N 308.323 -0.132 50 20 DBGD O=C(CCn1cnccc1=O)NNc1ccc(C(=O)O)cn1 1610662559 XLFZPANQKNWLAS-UHFFFAOYSA-N 303.278 -0.130 50 20 DBGD O=C(O)Cn1cc(C=NNC(=O)Cc2ccccc2O)nn1 1776094299 LRIJWCQOXFKPJO-UHFFFAOYSA-N 303.278 -0.239 50 20 DBGD O=C(CN1CCO[C@@H](C(=O)O)C1)NNC(=O)c1cccs1 43703531 DNBQHISJMFMRQW-MRVPVSSYSA-N 313.335 -0.706 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1cncn1 44576546 KIZKXGFNBWQZAU-SKDRFNHKSA-N 317.305 -0.174 50 20 DBGD O=C(CSCc1ccncc1)NNC(=O)C(=O)NC1CC1 58049579 DXIZAJJLXKQDIZ-UHFFFAOYSA-N 308.363 -0.259 50 20 DBGD Cn1/c(=N/NC(=O)[C@H](CO)NC(N)=O)sc2ccccc21 136286910 AHVXILSMMZURRN-KLKHIFMJSA-N 309.351 -0.799 50 20 DBGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)C(=O)NC(C)C)c1 145955905 KQGVPWBQQXKPGC-UHFFFAOYSA-N 324.293 -0.111 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)Cc2cccnc2)CC1=O 264040683 RJTBQTKKIKRFJP-GFCCVEGCSA-N 320.349 -0.734 50 20 DBGD Cc1ccc(F)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 264089262 FTDCOBXTHYIVFK-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCN1C(C)=O 271340460 BPPCDDXWXCLUDV-VIFPVBQESA-N 304.441 -0.144 50 20 DBGD COc1ccc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nc1 276007243 SRQJRWWIWODTGL-VHSXEESVSA-N 309.326 -0.251 50 20 DBGD CCNC(=O)NNC(=O)COC1CN(C(=O)OC(C)(C)C)C1 493178862 TUCZMSHOUXEBMO-UHFFFAOYSA-N 316.358 -0.027 50 20 DBGD O=C(NCC(=O)N1CCCCC1)c1cc(B(O)O)ccc1F 584942485 ICBMYMNRXGJLHD-UHFFFAOYSA-N 308.118 -0.752 50 20 DBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CN2CCC1CC2 584946782 WXWREOUKCPQQHP-CQSZACIVSA-N 306.146 -0.328 50 20 DBGD CCOCCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584946835 YKIGODLKEWSVCI-UHFFFAOYSA-N 306.171 -0.839 50 20 DBGD COCCCn1ccc(NC(=O)c2cccc(B(O)O)c2)n1 584950044 JBFVGEAQMBVYET-UHFFFAOYSA-N 303.127 -0.148 50 20 DBGD Cc1ccc([C@](C)(O)CNC(=O)c2cccc(B(O)O)c2)o1 584954146 IQUCQCVWIOJPOA-OAHLLOKOSA-N 303.123 -0.095 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](OCCO)C1 584965823 UEWRPPMKRFGWJK-NSHDSACASA-N 311.118 -0.881 50 20 DBGD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(B(O)O)c(F)c1 584972369 UYVKDWRAPYNZIL-VIFPVBQESA-N 320.129 -0.754 50 20 DBGD CNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584982702 HXGLIKFEHFUILI-AWEZNQCLSA-N 308.118 -0.896 50 20 DBGD CN(CC(=O)N1CCCC1)C(=O)c1ccc(B(O)O)c(F)c1 585009125 PWTXZMIBHFLLDG-UHFFFAOYSA-N 308.118 -0.800 50 20 DBGD O=C(NCB(O)O)c1cc(Br)cc2c1OCCO2 585063117 SNNFTJKHQLZSGJ-UHFFFAOYSA-N 315.916 -0.038 50 20 DBGD CCCC(C)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730571451 RPJALXWDGOBSJM-UHFFFAOYSA-N 313.383 -0.137 50 20 DBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)c1cnn(C)c1 735581918 SRXXBFDSZZKVAS-SNVBAGLBSA-N 310.358 -0.915 50 20 DBGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)C1CCCC1 753130467 MBERGMGITIVGEZ-UHFFFAOYSA-N 320.415 -0.164 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1(C(N)=O)CC1 760437233 FJLJMZQMEUMXIF-UHFFFAOYSA-N 314.342 -0.686 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1SCCS1 761138186 OSNKMBCKHNFQDV-ZCFIWIBFSA-N 310.422 -0.625 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](S(C)(=O)=O)C1 763915662 CRNXEONNTYKQSL-VHSXEESVSA-N 305.400 -0.559 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1 785000061 XSNDYINDJCZTJU-LBPRGKRZSA-N 316.317 -0.295 50 20 DBGD Cn1nncc1C=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 814963979 LHAWRADEBIOOMM-UHFFFAOYSA-N 323.338 -0.382 50 20 DBGD CN1C[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O 821621897 KOWQLQSEWXFCED-SNVBAGLBSA-N 316.325 -0.277 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 821783041 BWNIALVZFRAFBB-BQBZGAKWSA-N 310.276 -0.007 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 823905653 JWRVIXKEBZQBNH-DTWKUNHWSA-N 312.326 -0.967 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)C1(n2cnnn2)CC1 828319116 INCSVNCRJQWTMQ-UHFFFAOYSA-N 316.321 -0.474 50 20 DBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)[C@H]1CCCCO1 833250996 OSJUPZFKZZBOSM-GFCCVEGCSA-N 321.333 -0.162 50 20 DBGD O=C(NCCN1CCSCC1)NNC(=O)[C@H]1CCCCO1 836346945 YPTLSNCWQCAYER-LLVKDONJSA-N 316.427 -0.065 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 843973610 YSOFGRFJIMXOMS-BXKDBHETSA-N 321.333 -0.306 50 20 DBGD COCCN(C)NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 848378161 JRTQBBNOCVWDAQ-HNNXBMFYSA-N 320.349 -0.036 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCNC2=O)cc1 854261228 WPPSINGOXHLGCR-SNVBAGLBSA-N 304.306 -0.783 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccn(C)c(=O)c1 854279973 MIGXWCZKZRGEAN-UHFFFAOYSA-N 312.395 -0.127 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 854840501 REASBAZEZJARGF-USKTWTLRSA-N 316.383 -0.395 50 20 DBGD C[C@H](NC(=S)NNC(=O)CCS(=O)(=O)N(C)C)C1CC1 855098909 NXRSJFOOJVHVPP-QMMMGPOBSA-N 322.456 -0.438 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ccc(Cl)cn1 856091894 XOGVNSJAEYATMW-UHFFFAOYSA-N 321.790 -0.084 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2COc3ccccc32)N1 858463956 FVZOFYUQHSTSKU-KOLCDFICSA-N 318.333 -0.228 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H](O)C2CCCCC2)N1 858695509 GFIIOQKWQDRFAT-QWRGUYRKSA-N 312.370 -0.463 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CC(NS(C)(=O)=O)C2)cn1 862839579 CPFXMQYTKZQHSV-XCVCLJGOSA-N 309.351 -0.913 50 20 DBGD CN(CCO)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1 863145878 NUODJGWIQSJGCF-CYBMUJFWSA-N 304.350 -0.156 50 20 DBGD O=C1NC2(CCN(C(=O)c3cc(B(O)O)ccc3F)CC2)CO1 863877582 ADJBYELWKJZWHS-UHFFFAOYSA-N 322.101 -0.780 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1 864017073 MXOSZIRGQYRQSA-SECBINFHSA-N 304.306 -0.391 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@H](C(F)(F)F)C1 866007692 MXCFXZKBYIBIOM-SNVBAGLBSA-N 303.045 -0.230 50 20 DBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 929454746 VUWXJSKWBDNMQK-QWRGUYRKSA-N 317.411 -0.559 50 20 DBGD O=C(NNC(=O)c1c[nH]nc1-c1cccnc1)C(=O)NC1CC1 1116007867 JAQDTHZALOBENB-UHFFFAOYSA-N 314.305 -0.489 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@H](C)S1(=O)=O 1118864293 NNJDHZUOJQLTRF-YUMQZZPRSA-N 315.355 -0.729 50 20 DBGD CCN1CCOC[C@H]1C(=O)NNC(=O)COc1ccccc1O 1262596409 DMIHCBIQIMSJIQ-NSHDSACASA-N 323.349 -0.361 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@@]3(O)CCSC3)nc21 1319736987 NMOGLOKCNCTWHP-LLVKDONJSA-N 310.339 -0.620 50 20 DBGD CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(=O)OC 1321668348 XEUOXRCJJNWXNH-UHFFFAOYSA-N 323.305 -0.347 50 20 DBGD COCCN(C)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 1329444466 DLRJQGAWVIRJKJ-GFCCVEGCSA-N 323.397 -0.195 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2nnc(C)n2C)n1 1338710872 VGULVLRUTIFHRT-UHFFFAOYSA-N 320.357 -0.533 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)N=c1cc[nH]cc1 1520159101 USZOUYVHVWQAPB-PWSUYJOCSA-N 304.354 -0.956 50 20 DBGD C[C@H]1CNCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1 1576853314 FCMZIFNZUMTACQ-NSHDSACASA-N 301.350 -0.387 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CNc3ccccc3C2)nn1 1579953017 DDLVVURLAWOFQY-JTQLQIEISA-N 315.337 -0.204 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2coc(-c3nn[nH]n3)c2)CC1 1591190059 HCDBTWZUBBHHDC-UHFFFAOYSA-N 320.313 -0.939 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1591784386 KSDFVVWOTVHYLZ-JGVFFNPUSA-N 319.325 -0.311 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)O1)c1ccc([N+](=O)[O-])cc1 276156686 PNQSOUXWPMQKQK-NXEZZACHSA-N 323.261 -0.012 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1 277928795 JPQZHGJPXUOFEI-JTQLQIEISA-N 309.322 -0.219 50 20 DBGD N#CCc1ccccc1S(=O)(=O)NNC(=O)N1CCOCC1 279839331 CSQMBMNXVFPREM-UHFFFAOYSA-N 324.362 -0.012 50 20 DBGD CCS(=O)(=O)NCCNS(=O)(=O)CBr 390331442 HPLPRGINXJTTNH-UHFFFAOYSA-N 309.207 -0.803 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCC(NS(=O)(=O)NC)CC1 491158425 FKAQQFKAWUTURI-KTKRTIGZSA-N 316.383 -0.525 50 20 DBGD O=C(CN1CCN2C(=O)OC[C@@H]2C1)NNC(=O)c1cccs1 493942525 URBGYDHAXRMGFA-VIFPVBQESA-N 324.362 -0.355 50 20 DBGD Cc1nnc(COC2CN(Cc3ccc(B(O)O)cc3F)C2)o1 585048593 SZSPCMXLFWYBMT-UHFFFAOYSA-N 321.117 -0.402 50 20 DBGD OB(O)c1ccc(-c2noc([C@@H]3CCc4nn[nH]c4C3)n2)cc1 585052246 WBAQUJZOHNNIJO-SECBINFHSA-N 311.110 -0.193 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1C(=O)O 728435362 ZDJIXRIHFWDXAA-MRVPVSSYSA-N 313.335 -0.227 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=S)NC1CCCCC1 728449924 PGPOZWBBHUTPNC-MRVPVSSYSA-N 322.456 -0.248 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1OC 728870954 LFVMYJMOEGBJSD-SECBINFHSA-N 307.306 -0.257 50 20 DBGD CCOCC(=O)NNC(=O)NCc1ccc(C(=O)NC)cc1 731280238 OZGCGTHYABDWDD-UHFFFAOYSA-N 308.338 -0.087 50 20 DBGD Cn1ccnc(NNC(=O)CNC(=O)c2cccc(F)c2)c1=O 747937346 CGQFANVNIFKUTI-UHFFFAOYSA-N 319.296 -0.208 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNc1cccnn1)n1cccn1 753101459 YUGVATRLBRNXAZ-SNVBAGLBSA-N 303.326 -0.164 50 20 DBGD CC(C)[C@@](C)(O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 771093313 FFWMIBLKTBMJTI-CQSZACIVSA-N 318.337 -0.170 50 20 DBGD COc1c(NC(=O)NNC(=O)CN(C)C)cccc1C(N)=O 775721927 LHAYXPCNNVPOGU-UHFFFAOYSA-N 309.326 -0.492 50 20 DBGD CN(NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(N)=O 778415721 NUBUTRFWHRLQII-UHFFFAOYSA-N 321.249 -0.768 50 20 DBGD CN(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(N)=O 778415979 XDQSTBCGWBEBMN-UHFFFAOYSA-N 318.330 -0.269 50 20 DBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)Cc1cc[nH]n1 787335008 RPWYISDUACYZPG-GFCCVEGCSA-N 307.354 -0.206 50 20 DBGD CCS(=O)(=O)NCCS(=O)(=O)NCCSSC 790349801 VQNVWYFMAJZQIK-UHFFFAOYSA-N 322.499 -0.144 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCN1CCOCC1 825525969 LDDDBGKGCIBCBD-RYUDHWBXSA-N 314.386 -0.536 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 842591591 DOVICZKNHKZKBV-RQJHMYQMSA-N 322.774 -0.192 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 845484983 CGDPLWFVJGCXBQ-WDEREUQCSA-N 312.370 -0.246 50 20 DBGD O=C(NNS(=O)(=O)CCOCC(F)(F)F)c1cc[nH]n1 849310710 LNPSGDMBLQNOMC-UHFFFAOYSA-N 316.261 -0.447 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(F)n1 856421998 KYLFABYLGSMROD-UHFFFAOYSA-N 319.314 -0.957 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc3nonc23)N1 861058946 RBFTXBUBPZGCSA-MRVPVSSYSA-N 304.266 -0.346 50 20 DBGD O=C(COCCOc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 862451111 ISIJFAWWCABGSM-LBPRGKRZSA-N 321.333 -0.492 50 20 DBGD Nc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862455856 JUDAJKJEDDMLDG-ZETCQYMHSA-N 307.266 -0.783 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1cn[nH]c1 862473279 MDZBESDDXPYFDL-BQBZGAKWSA-N 319.243 -0.372 50 20 DBGD COc1ccc(F)cc1C(=O)NNC(=O)CS(C)(=O)=O 863459062 MSNLNHCAISNWMX-UHFFFAOYSA-N 304.299 -0.360 50 20 DBGD COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cccc(B(O)O)c1 863879272 PQQWEAMQTYHWAI-VIFPVBQESA-N 319.044 -0.410 50 20 DBGD O=C(NCCNC(=O)c1cccnc1)NNc1ncccn1 916443757 UXXRBTPGGWYAEA-UHFFFAOYSA-N 301.310 -0.072 50 20 DBGD COC(=O)N1CCC(C(=O)NNc2nnc(C)c(O)n2)CC1 1118751859 LCJCSSKWMPEJOF-UHFFFAOYSA-N 310.314 -0.193 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1COc2cc(F)cc(F)c21 1254636376 IXCUDJGFGNENES-SSDOTTSWSA-N 315.232 -0.098 50 20 DBGD COCCC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1319547080 ADAJUMSFFIFGJC-VIFPVBQESA-N 304.368 -0.615 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F 1320379463 UWCKZDRZGVIGTF-UHFFFAOYSA-N 312.257 -0.360 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H](CO)c2cnn(C)c2)n1 1321507862 RPOCHFYKOWDGDG-LBPRGKRZSA-N 318.337 -0.199 50 20 DBGD C[C@@]1(NNC(=O)NCC2=CCCOC2)CCS(=O)(=O)C1 1325078158 PDBLZFDEGJNQHL-GFCCVEGCSA-N 303.384 -0.286 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nnc2n1CCCC2 1325999879 RJGAZVSNORJZGJ-NXEZZACHSA-N 322.369 -0.130 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cncc(C#N)c1 1326976438 FZCKDCKDOVDETC-KCJUWKMLSA-N 310.335 -0.312 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cc2c(nc1O)CCC2 1329955792 CDOGWRBPITUVCR-UHFFFAOYSA-N 308.294 -0.721 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 1337960658 JIEVHCNDRAJCSV-UHFFFAOYSA-N 321.272 -0.784 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CC2(N)COC2)cc1 1580071956 WFDXMERSBYIXMK-UHFFFAOYSA-N 304.306 -0.798 50 20 DBGD O=C(COC[C@@H]1CCCO1)NNc1ccc(-c2nn[nH]n2)cn1 1592887113 GUODAUQSSPHXKD-JTQLQIEISA-N 319.325 -0.100 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1594159071 CBVSQVMWRAOUMH-MRVPVSSYSA-N 323.309 -0.749 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)c1csc(-c2nn[nH]n2)c1 1606854423 OYMUPWGCAJEZET-UHFFFAOYSA-N 304.295 -0.274 50 20 DBGD CO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847562823 ADYWJLSZLUEIKC-VPOLOUISSA-N 304.774 -0.177 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 271261158 IQCVVQMUWQURHB-CYBMUJFWSA-N 311.342 -0.601 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)NC(C)C 279611781 TYEKBHJREHRGGU-CQSZACIVSA-N 310.354 -0.353 50 20 DBGD O=C(NNC(=O)c1cc(F)cc2[nH]nnc12)C(=O)N1CCCC1 282446022 ZPLBCXSGKXNNTJ-UHFFFAOYSA-N 320.284 -0.520 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H](CO)O1 299971061 UZZYRNNCTASJSC-VHSXEESVSA-N 313.379 -0.409 50 20 DBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)OC 495327244 WUYGWRPGAYDTPG-SNVBAGLBSA-N 319.325 -0.338 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)c1nnc2n1CCC2 584933590 FHFIIZGBLBZTEE-SECBINFHSA-N 300.127 -0.605 50 20 DBGD Cn1cc(CCCNC(=O)c2cc(B(O)O)ccc2F)cn1 584939151 FOICSWBBUMVWSB-UHFFFAOYSA-N 305.118 -0.398 50 20 DBGD Cc1nc([C@@H]2CCCN(C(=O)c3cccc(B(O)O)c3)C2)n[nH]1 584971635 WIRRBBYZHRWCEV-GFCCVEGCSA-N 314.154 -0.187 50 20 DBGD CCc1nc(C(C)(C)NC(=O)c2cccc(B(O)O)c2)no1 584987774 YQFYCEJRWNTPSM-UHFFFAOYSA-N 303.127 -0.023 50 20 DBGD O=C(CCNCc1ccc(B(O)O)o1)NCc1ccncc1 585020635 DVVHTMLNQZPIIS-UHFFFAOYSA-N 303.127 -0.850 50 20 DBGD CCN1CCN(C[C@@H](C)CNCc2ccc(B(O)O)o2)CC1 585021989 GTRQINMSBMWMGU-ZDUSSCGKSA-N 309.219 -0.677 50 20 DBGD C[C@@H](C(=O)NNC(=O)NCc1ccco1)N1CCN(C)CC1 732913179 WHKXTUNSWYOETA-NSHDSACASA-N 309.370 -0.254 50 20 DBGD CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)CS(C)(=O)=O 733197459 CLSXLBIPHFIVRS-VIFPVBQESA-N 305.400 -0.701 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)NC1CCCCC1 742034321 XNEJMMGLFRULDJ-UHFFFAOYSA-N 320.415 -0.023 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)cn1C 745978383 VBYJQTQXQVUHTE-UHFFFAOYSA-N 304.328 -0.724 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cnn(-c2ccccn2)c1 775640197 HVBNKMPBJIPRBS-UHFFFAOYSA-N 303.326 -0.018 50 20 DBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CO1 784153875 FOABAQXLZBNZDC-GXSJLCMTSA-N 306.322 -0.616 50 20 DBGD CSC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 787165329 UGKKDTDRSBTYFJ-QMMMGPOBSA-N 321.424 -0.210 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](S(C)(=O)=O)C1 800466823 HVTIBIRXPGBKDM-QWRGUYRKSA-N 319.427 -0.313 50 20 DBGD O=C1NC(=O)C(=NNC(=O)c2ccc(Cl)cc2F)C(=O)N1 814222801 VFWVUECSIHGRLL-UHFFFAOYSA-N 312.644 -0.069 50 20 DBGD CC(C)[C@H](C(=O)NNc1cnnn1C)N1CCCS1(=O)=O 816771146 ZYDHXCDSBDGTNC-SNVBAGLBSA-N 316.387 -0.682 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1COc2ccccc2O1 822232503 MFSNJEAHJXQTMW-SNVBAGLBSA-N 321.333 -0.112 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1sccc1S(=O)(=O)N(C)C 823960291 ZFCQZSIVCQFDLK-MRVPVSSYSA-N 321.424 -0.044 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 833120428 ZNIGESLJWVQTGA-ZJUUUORDSA-N 302.290 -0.255 50 20 DBGD O=C(NNC(=O)c1ccc(C(=O)O)c(F)c1)C(=O)N1CCCC1 833149608 WISYNRWFQHRSGN-UHFFFAOYSA-N 323.280 -0.093 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COCC1CCCC1 839650084 NXVMXAPFJQKZQW-SECBINFHSA-N 321.399 -0.722 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 843970243 CNJDPBBWBKAQKG-POYBYMJQSA-N 305.294 -0.151 50 20 DBGD O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)N1 845855696 MBQIBMVXFVFPNL-VIFPVBQESA-N 300.296 -0.270 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)[C@H]1CCCCO1 852655450 HBSKRXHSWRWVQQ-SECBINFHSA-N 302.331 -0.416 50 20 DBGD O=C(NN=Cc1ccc(CO)cc1)N[C@H]1CCS(=O)(=O)C1 853292753 XBSCZZVRYMNNFX-LBPRGKRZSA-N 311.363 -0.001 50 20 DBGD C[C@@]1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@H]1Br 857733404 KJWSTTZFTMNNNX-CDPPZIPSSA-N 320.183 -0.311 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(F)cc1F 863462037 DDYBBQUNURUMOU-UHFFFAOYSA-N 306.290 -0.301 50 20 DBGD COC(=O)C1(C#N)CCN(C(=O)c2cccc(B(O)O)c2)CC1 863885288 HKTARZUKJINCHP-UHFFFAOYSA-N 316.122 -0.715 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2COC3(CCOCC3)O2)cc1 863891033 IVTUAEXRXTVWJU-CQSZACIVSA-N 307.155 -0.622 50 20 DBGD CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1319883223 HKZKPNNOOQQAQJ-QWRGUYRKSA-N 312.370 -0.201 50 20 DBGD Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)CCO 1325520055 UXKMVVRPRIPBOG-UHFFFAOYSA-N 308.338 -0.471 50 20 DBGD Nc1cnnc(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)c1Cl 1326454321 GGZHSKIDHPKERQ-ZCFIWIBFSA-N 319.774 -0.020 50 20 DBGD COc1cccc(NNC(=O)c2cnn(C[C@H](O)CO)c2)n1 1330783127 RDYJRHBNBYSIEC-JTQLQIEISA-N 307.310 -0.603 50 20 DBGD CN1CCN(C2CN(C(=O)/C(C#N)=C/c3cnn(C)c3)C2)CC1 1334139653 MVQRYLHVFKVBSK-VGOFMYFVSA-N 314.393 -0.215 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCOC1)c1cncn1-c1ccccc1 1345065487 PLBJUGHSXFXUQA-HNNXBMFYSA-N 316.317 -0.215 50 20 DBGD Cc1nonc1CC(=O)NNC(=O)CNC(=O)c1ccco1 1346170843 FKINKONHMNULEK-UHFFFAOYSA-N 307.266 -0.909 50 20 DBGD COC(=O)CC[C@@H](N)C(=O)NNC(=O)c1cccc(Cl)n1 1578810030 WLLMHLCHHVGQMG-SSDOTTSWSA-N 314.729 -0.224 50 20 DBGD O=C(NCc1nc(-c2nn[nH]n2)cs1)NNC(=O)C1CCC1 1582558753 HPUQPEMMXNLFGH-UHFFFAOYSA-N 322.354 -0.046 50 20 DBGD CC(C)C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)O 1588853228 SZYGHMYCTMGXMS-BDAKNGLRSA-N 314.342 -0.658 50 20 DBGD Cc1cc(=NNC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cc[nH]1 1592053475 DRGCNSCYOALIHA-QMMMGPOBSA-N 314.313 -0.712 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc([S@@](C)=O)cc1 1593102736 WIPUYHMPELGHSZ-MWAODPMSSA-N 313.335 -0.100 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)nc1O 1594492355 BNTOXTQFPVRMER-YUMQZZPRSA-N 311.298 -0.401 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)OCC(F)(F)F 1601381862 OALXPNVSNQFUTE-UHFFFAOYSA-N 311.176 -0.704 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1604618478 XMADRNKHIWQKKO-NXEZZACHSA-N 318.326 -0.933 50 20 DBGD O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)NNC(=O)c1ccc(F)cc1 1608337223 POGVOMXJTCDTKI-PJXYFTJBSA-N 321.308 -0.151 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCO[C@@H](c2ccncc2)C1 1608476987 DIQGJIDERUVJSZ-VHSXEESVSA-N 308.294 -0.283 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)[C@@H]1CCCO1 32262325 IUBDIEGCSHMMQS-AXFHLTTASA-N 323.349 -0.512 50 20 DBGD O=C(C[C@@H]1CCCO1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 48952968 AWTRQMLMGUTFDV-BDAKNGLRSA-N 305.356 -0.927 50 20 DBGD O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)C1CC1 49946660 XQRZOQSWWSSQTN-UHFFFAOYSA-N 322.346 -0.718 50 20 DBGD CCNC(=O)NNC(=O)CNC(=O)NCc1ccc(F)cc1 65190339 JZAOCIZFNQUGPI-UHFFFAOYSA-N 311.317 -0.025 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)S(C)(=O)=O)c(O)c1 66047836 UVOPJBXMQGHGOJ-UHFFFAOYSA-N 315.351 -0.647 50 20 DBGD CN(C)S(=O)(=O)NNC(=O)CSc1ccccc1O 270582945 APXRCNFFMWEPNV-UHFFFAOYSA-N 305.381 -0.089 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1 276584923 JUVJTKYOGNPRRH-ZJUUUORDSA-N 322.277 -0.611 50 20 DBGD CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 491426053 BFJGTYRYSOWLJS-SNVBAGLBSA-N 300.359 -0.436 50 20 DBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCS(=O)(=O)C1 584927263 PHHBBLCAZKNMIC-LBPRGKRZSA-N 311.168 -0.984 50 20 DBGD COCC[C@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584983684 ZICJNDGZPWOCBC-AWEZNQCLSA-N 311.118 -0.569 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@]2(CCOC2)O1 584984518 WBECMJQDZKAEBQ-BMIGLBTASA-N 323.129 -0.475 50 20 DBGD CCNC(=O)NNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 726529588 SODUIFWBIHJAQB-QMMMGPOBSA-N 311.342 -0.410 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ncn1 758095931 MYDQYJGBLJPRAI-UHFFFAOYSA-N 324.304 -0.164 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O 768772047 XPSWQXVHPMSYNR-BXKDBHETSA-N 322.321 -0.332 50 20 DBGD O=C(CN[C@H]1CCCC[C@@H]1N1CCOCC1)NNC(=O)C1CC1 769799529 HLRROGRNADGJGJ-KBPBESRZSA-N 324.425 -0.223 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)c1cccnc1 816817899 MSWKOWRZZYBLPN-UHFFFAOYSA-N 321.362 -0.661 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 824391975 SVRJGRWTMNTILP-WDSKDSINSA-N 317.289 -0.298 50 20 DBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)[C@H]1COCCO1 832846366 ZLHISZCBJDZPEM-MRVPVSSYSA-N 311.294 -0.494 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)O)cc1CC(=O)O 833734098 FSVQQNSSGSCKRL-UHFFFAOYSA-N 304.280 -0.217 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@]2(O)CCOC2)c1 840237120 GLPBSNWYRGRSGO-HNNXBMFYSA-N 308.334 -0.019 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)c1 841375690 KWGSBMBGFFPYEZ-WRWORJQWSA-N 323.305 -0.038 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CCCS(=O)(=O)C1 846230379 HJDQPWLBIOVLMX-VHSXEESVSA-N 304.368 -0.472 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 855006445 OEBVOKHEGBHVRA-DTWKUNHWSA-N 310.358 -0.457 50 20 DBGD O=C(NCC(=O)N1CCOCC1)NNc1ncc(Cl)cn1 856882183 QMTSDHCIRRHMLA-UHFFFAOYSA-N 314.733 -0.385 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)c1cccc(Cl)n1 857325049 QPSPJPJPUVCYQY-UHFFFAOYSA-N 324.728 -0.159 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(-c2nnnn2C)cc1 861457680 NUEKQERGZROQCS-UHFFFAOYSA-N 305.298 -0.324 50 20 DBGD COc1ccc(OC)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862448505 FEAPSIQSORYBCM-SNVBAGLBSA-N 307.306 -0.257 50 20 DBGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862451797 GVANYHRINZFKJY-QWRGUYRKSA-N 324.381 -0.549 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCN1C1CCCC1 862468050 ANIXTMIRWPYREU-JTQLQIEISA-N 303.384 -0.805 50 20 DBGD COc1ncccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 912506977 RFFGRNCIHGLDRU-QMMMGPOBSA-N 313.335 -0.714 50 20 DBGD Cn1cc(C=NNC(=O)CSc2nnc(O)nc2O)cn1 1115818745 VAYCFKMDNUDMRX-UHFFFAOYSA-N 309.311 -0.741 50 20 DBGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)n1 1116623679 RKFCQARIYQWWQH-UHFFFAOYSA-N 323.353 -0.194 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 1116623813 XXQRHHAIZBQGFG-UHFFFAOYSA-N 319.317 -0.326 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 1253208164 NLOYRMJQBFFADL-UFBFGSQYSA-N 317.367 -0.456 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)CN1C(=O)CCC1=O 1317703212 XLXOETGSGRUHEA-UHFFFAOYSA-N 323.280 -0.499 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccnc(OC(C)C)c1 1319543525 RHKBDZUSIFBPLU-UHFFFAOYSA-N 310.310 -0.128 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCn3cncc3C2)nn1 1319855810 JDNAXWCDXUWUDG-QMMMGPOBSA-N 301.310 -0.522 50 20 DBGD CN(C)N(C(=O)[C@@H](O)c1cccnc1)[C@H]1CCS(=O)(=O)C1 1324129906 ZGPCJAYPVBXTIV-RYUDHWBXSA-N 313.379 -0.393 50 20 DBGD Cc1ccncc1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1328085685 HOMDUULFAZBFAN-JTQLQIEISA-N 311.363 -0.485 50 20 DBGD CN(C)N(C(=O)Cc1cncn1C)[C@H]1CCS(=O)(=O)C1 1330176744 OZWCMNAOTJMRLD-JTQLQIEISA-N 300.384 -0.545 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 1342586435 KLKZRACWNFFNTO-LLVKDONJSA-N 323.353 -0.196 50 20 DBGD CC(C)C(=O)NCCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1345734107 XGHKJNODRBFTIN-WDEREUQCSA-N 314.386 -0.096 50 20 DBGD Cc1nc2c(C(=O)NNC(=O)CS(C)(=O)=O)ccnc2[nH]1 1355106987 YUTWHIBRCWSXEI-UHFFFAOYSA-N 311.323 -0.928 50 20 DBGD CC(C)(C)OC(=O)[C@]1(C(=O)NNC(=O)C2CC2)CNCCO1 1575151441 YNJJUJQSUQTYAT-CQSZACIVSA-N 313.354 -0.756 50 20 DBGD CN[C@@H](C)C(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1578751320 WLJITVRSJVSPRF-DTWKUNHWSA-N 300.359 -0.249 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1)[C@@H]1C[C@@H](c2ccccc2)OC1=O 1580732524 FHOWCPPBQCJFEY-TUAOUCFPSA-N 303.318 -0.200 50 20 DBGD CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1589046640 SUHCNQVIHQFBFB-UHFFFAOYSA-N 308.294 -0.416 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](Cc1cncs1)C(=O)O 1594712537 QPSJIDISDHXXTD-CBAPKCEASA-N 314.367 -0.326 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccc(C(=O)O)cc2F)C1=O 1598623278 CKRFWQPCJDTINT-JTQLQIEISA-N 311.269 -0.176 50 20 DBGD COCCOCC(=O)NNC(=O)c1cc(F)cc(C(=O)O)c1 1599248194 UQTPXTGXQPTTHM-UHFFFAOYSA-N 314.269 -0.052 50 20 DBGD Cc1cc(C)nc(NNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)n1 14514686 FCEOOHGKEZQEAO-UHFFFAOYSA-N 318.337 -0.146 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)Cc1ccccc1F 66784872 DBPCUDRJEKDBAR-UHFFFAOYSA-N 302.327 -0.050 50 20 DBGD O=C(NNC(=O)c1n[nH]c2ccccc12)C(=O)N1CCCC1 132302590 JCFUGNFYGHCGSM-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD COc1cc(C)nc(NNC(=O)NCCN2CCOCC2)n1 266889965 SAINEROJYAUIAI-UHFFFAOYSA-N 310.358 -0.248 50 20 DBGD COC(=O)COc1cccc(NC(=O)NNC(=O)CN(C)C)c1 274920995 PAXVOCUFCKVRJY-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD O=C1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H]2CCCC[C@@H]2N1 584958431 OGDZSJBJPYKQCZ-STQMWFEESA-N 320.129 -0.611 50 20 DBGD CC(C)[C@H](NC(=O)c1cccc(B(O)O)c1)c1nncn1C 584988056 BWAJZDMYZZBJAU-LBPRGKRZSA-N 302.143 -0.378 50 20 DBGD Cc1n[nH]c(C)c1CCNC(=O)c1cc(B(O)O)ccc1F 584996284 DDHUXPYZYDYEHF-UHFFFAOYSA-N 305.118 -0.182 50 20 DBGD O=C(N[C@@H](CO)[C@@H]1CCCOC1)c1ccc(B(O)O)c(F)c1 585002372 SWUHNUFYODECAJ-MFKMUULPSA-N 311.118 -0.977 50 20 DBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)c2ncnn21 585006574 OFPMHPSJQJNXQF-HQJQHLMTSA-N 304.090 -0.467 50 20 DBGD CN(C)[C@@H](CNCc1ccc(B(O)O)cc1F)c1cnn(C)c1 585028296 IXRPKUVPSFZWJR-HNNXBMFYSA-N 320.177 -0.369 50 20 DBGD OB(O)c1ccccc1CNC1CCN([C@H]2CCOC2)CC1 585050463 ZOPBHIJANOHXBB-HNNXBMFYSA-N 304.199 -0.291 50 20 DBGD O=C(CC[C@@H]1CCCCO1)NNC(=O)[C@H]1CCS(=O)(=O)C1 731965446 YGMNILNEFUWIBA-QWRGUYRKSA-N 318.395 -0.082 50 20 DBGD COc1ccnc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 734771797 SZARXWBCULPANC-MRVPVSSYSA-N 313.335 -0.714 50 20 DBGD CN(C)C(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 736752495 YGYPADJIYOYIQD-UHFFFAOYSA-N 304.314 -0.419 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc2c(c1)nnn2C 737431907 RDMNWCCFUHKPQU-MRVPVSSYSA-N 324.366 -0.644 50 20 DBGD CNC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 742056309 ZVLGKHLORHVBPJ-LLVKDONJSA-N 305.338 -0.106 50 20 DBGD COCCCNC(=O)CN(C)CC(=O)NNC(=O)C(C)(C)C 744390672 IAOXFZMFSZITLR-UHFFFAOYSA-N 316.402 -0.736 50 20 DBGD COc1cc(C)nc(NNC(=O)CCn2cc[nH]c(=O)c2=O)n1 746627220 IRXHLRBHMKGHBN-UHFFFAOYSA-N 320.309 -0.823 50 20 DBGD Cc1cc(C(=O)NNC(=O)Nc2ccn(CCN(C)C)n2)n[nH]1 756764351 GVIKIBPPSPGRCP-UHFFFAOYSA-N 320.357 -0.057 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(OC)cc1 779845014 NPDIJECLLFHLPH-UHFFFAOYSA-N 317.323 -0.639 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](CS(C)(=O)=O)C1 795088411 UXZMEWHXCBJCQG-SNVBAGLBSA-N 319.427 -0.454 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1CCO2 797005906 VPMSCZATYRDKDE-UHFFFAOYSA-N 306.322 -0.731 50 20 DBGD Cn1cc(Br)c(C(=O)NNC(=O)C(C)(C)O)n1 816359739 FMNVMCXJTNPBLZ-UHFFFAOYSA-N 305.132 -0.286 50 20 DBGD CNC(=O)CCCN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827280285 AZGQAAXTRPUZMI-ZJUUUORDSA-N 300.359 -0.390 50 20 DBGD COC(=O)C[C@H](N)C(=O)NNc1nc2ccccc2c(=O)n1C 831786608 PFTIBYBQTWESCF-VIFPVBQESA-N 319.321 -0.733 50 20 DBGD C[C@]1(C(=O)NNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 848160694 XBHREKXWVPWRDI-GFCCVEGCSA-N 309.282 -0.098 50 20 DBGD O=C1NCC[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 854180615 NUFBTIJVVVEVFJ-GZMMTYOYSA-N 305.290 -0.890 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccc(=O)n(C)c1 854279737 CVAFYMHGFPKDTO-UHFFFAOYSA-N 312.395 -0.127 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)o1 858697428 RUPRYKDYRVLRTJ-NXEZZACHSA-N 324.337 -0.115 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=O)NCc2ccco2)C1=O 858782297 OFYFFFIHPVZVGI-UHFFFAOYSA-N 309.282 -0.996 50 20 DBGD Cc1cn2ccnc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c2n1 862459540 VNBLQGYBCCUHAG-QMMMGPOBSA-N 302.294 -0.923 50 20 DBGD COc1ccn2c(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cnc2c1 862460310 GQXHHCUXYWQHBA-VIFPVBQESA-N 317.305 -0.618 50 20 DBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 863412869 NYKHHKKDIRYUMB-BBBLOLIVSA-N 318.399 -0.892 50 20 DBGD CCOCCC1(C(=O)NNC(=O)CS(C)(=O)=O)CCC1 863462549 RDKHUDOEEKSLFS-UHFFFAOYSA-N 306.384 -0.225 50 20 DBGD C[C@@H](N)CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 863568591 LVJXTFGEPKQNTR-SECBINFHSA-N 309.326 -0.365 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)Cn2cncn2)cc1 864016735 MOKCFGKKYCRFQO-UHFFFAOYSA-N 300.278 -0.624 50 20 DBGD C[C@]1(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C[C@H]1Br 909005052 KSQLRDSGKNWQNH-JGBSBEFUSA-N 301.140 -0.109 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CCN1CCN(c2ccccn2)CC1 910162581 HSEARFCIYRDVME-CQSZACIVSA-N 321.425 -0.063 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O 1118484310 MYKAWMVPUNPLCI-UHFFFAOYSA-N 304.306 -0.532 50 20 DBGD N#CCOc1ccccc1C(=O)NNC(=O)C(=O)NC1CC1 1317982927 BCNJYTBCLSCXMJ-UHFFFAOYSA-N 302.290 -0.371 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)n1 1320598626 NNDWVHKDMZGNHM-VIFPVBQESA-N 323.353 -0.024 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cc(F)ccc1F 1337071573 DWYCURGZRFBEAP-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 1338095593 FZEZJJNDGOBZSX-SSDOTTSWSA-N 303.365 -0.353 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(SC)cc1 1338693092 HVDJSFHCERLABM-UHFFFAOYSA-N 311.319 -0.333 50 20 DBGD Cc1ncc(CCNC(=O)NNC(=O)C(=O)NC2CC2)s1 1340788685 ZTDNCMJBQLBODI-UHFFFAOYSA-N 311.367 -0.397 50 20 DBGD CC[C@H]1C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)CCO1 1348437432 WUOUTPNVQJBESB-ZJUUUORDSA-N 306.384 -0.226 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1 1353033919 CYFXVLHJRBSAPW-LBPRGKRZSA-N 314.386 -0.536 50 20 DBGD N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1580376386 XXTFKKVGOUGVAL-XQQFMLRXSA-N 310.398 -0.486 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1)c1cnc(O)c(C(F)(F)F)c1 1580733162 NXFGHQAEWVRVNB-SSDOTTSWSA-N 304.228 -0.071 50 20 DBGD N#CCNC(=O)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 1592678061 NGBCRRNXZOLHKK-UHFFFAOYSA-N 315.297 -0.867 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(C(=O)O)nc1 1594646253 XLTYULBLSMHSAX-SCZZXKLOSA-N 307.306 -0.105 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1cccc(F)c1C(=O)O 1610048857 SUYWZMTWSHQFOG-UHFFFAOYSA-N 319.314 -0.094 50 20 DBGD C[C@H](CN)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350596 LNHLORUUQUUQBL-ZJUUUORDSA-N 303.790 -0.616 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 170633498 HWLLWKHLJDKQNW-UHFFFAOYSA-N 307.335 -0.327 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)CC(C)(C)C 264000278 AEIRIBINZOPAPZ-UHFFFAOYSA-N 316.383 -0.130 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 265070064 VFEAFQMEPNTZFT-UHFFFAOYSA-N 320.309 -0.914 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 268459851 UDMHBZZCMWOZHQ-HTQZYQBOSA-N 302.331 -0.242 50 20 DBGD CN(CC(=O)NNC(=O)Nc1ccccc1)S(C)(=O)=O 283766287 OEHZGZKHSZVOOO-UHFFFAOYSA-N 300.340 -0.269 50 20 DBGD CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 361169628 NUFPWZRDZHJLOA-AXFHLTTASA-N 324.381 -0.247 50 20 DBGD C[C@@H](C(=O)NNC(=O)N(C)C)N1C(=O)NC2(CCCC2)C1=O 368884814 FICNKKSIFWQGCZ-QMMMGPOBSA-N 311.342 -0.458 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)Nc1cccc(B(O)O)c1 584911727 XVQSKIOLZDOOSE-QMMMGPOBSA-N 306.156 -0.386 50 20 DBGD N#CCCN(C[C@@H]1CCOC1)C(=O)c1ccc(B(O)O)cc1 584943579 UEPHUWJKNXPPPL-LBPRGKRZSA-N 302.139 -0.241 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N1CCCC[C@H]1C 584946614 VVXZXASKRHCEIH-NEPJUHHUSA-N 318.182 -0.114 50 20 DBGD O=C(NCCCCN1CCC[C@@H]1CO)c1ccc(B(O)O)cc1 584966269 WHAFFIANOSQNDQ-OAHLLOKOSA-N 320.198 -0.667 50 20 DBGD O=C(O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 740003717 STVBPJCHFNCIIZ-UHFFFAOYSA-N 312.286 -0.954 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)CC1CCCC1 751302976 OPGCTWJCRBUUJG-UHFFFAOYSA-N 312.370 -0.645 50 20 DBGD COCCOc1ccc(F)cc1NC(=O)NNC(=O)CO 756330677 NASYVJPLPBKDNT-UHFFFAOYSA-N 301.274 -0.004 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)NC2CC2)C1 760907549 NEOPQXQNVNBQGC-MWLCHTKSSA-N 311.386 -0.532 50 20 DBGD CCn1c(O)nc2cc(C(=O)NN(C)C(N)=O)ccc2c1=O 770436810 VDVVSBMCOMEQLI-UHFFFAOYSA-N 305.294 -0.223 50 20 DBGD CN(NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C(N)=O 778417444 SZPKESATSRIIIU-LLVKDONJSA-N 305.338 -0.025 50 20 DBGD C[C@H](C(=O)NNc1cc(Cl)nc(N)n1)n1cnc(C#N)n1 798991021 VSPPVIBQULWETR-RXMQYKEDSA-N 307.705 -0.120 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCSC1 809972050 CDEIPRUYMQQKOB-RKDXNWHRSA-N 306.409 -0.288 50 20 DBGD CCN(CCO)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 823873499 BUWROYRJRACMHU-UHFFFAOYSA-N 318.399 -0.766 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1ccccc1-c1nn[nH]n1 824300956 OEBOATUSNLNHNX-UHFFFAOYSA-N 301.310 -0.159 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 824391974 SVRJGRWTMNTILP-NTSWFWBYSA-N 317.289 -0.298 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 844667558 QOXUICPJIZPVLB-NAKRPEOUSA-N 303.384 -0.239 50 20 DBGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450062 NGFRZMHJABECOU-HTQZYQBOSA-N 324.362 -0.708 50 20 DBGD C[S@@](=O)CCN1CCN(S(=O)(=O)CCCCl)CC1 881980822 SGPGNMPHTJVPHP-QGZVFWFLSA-N 316.876 -0.059 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2 905360919 DGAUBCKKWCJCOZ-RWYTXXIDSA-N 303.746 -0.413 50 20 DBGD CN(C)N(C(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)[C@H]1CCS(=O)(=O)C1 908278720 KIERTAIWAJAZQU-BSJXLVFVSA-N 300.380 -0.296 50 20 DBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)CN1CCCC1=O 913731136 VKSXFZPXFVLJSP-QWRGUYRKSA-N 313.354 -0.660 50 20 DBGD COC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 1116528610 SZZPDRLAFOJDQK-MRVPVSSYSA-N 305.356 -0.927 50 20 DBGD CCn1nc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1C1CC1 1116620552 FEZZVCOTLVCSGQ-UHFFFAOYSA-N 322.369 -0.572 50 20 DBGD Cc1noc(C(C)C)c1C(=O)NNC(=O)CS(C)(=O)=O 1118953716 IVYUMULZHSRASC-UHFFFAOYSA-N 303.340 -0.088 50 20 DBGD Cc1cc(NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)ncn1 1251873330 BDVLSTTXJJPYNO-UHFFFAOYSA-N 318.337 -0.003 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(Cc2cn[nH]c2)CC1 1261798599 PSPQRZRGRBZXFA-UHFFFAOYSA-N 322.413 -0.279 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)Cc2cccnc2)C1 1318704678 WHPNOLDZIAQONQ-CYBMUJFWSA-N 320.397 -0.800 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc2c1CCN2C(C)=O 1321244468 QYXIWABRJBJCOO-UHFFFAOYSA-N 304.306 -0.299 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 1323672503 AQDXJSZIKFKMBN-UHFFFAOYSA-N 318.355 -0.317 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCc2nnnn2CC1 1328342528 MGJJKVQGXTVMSJ-ZCFIWIBFSA-N 306.248 -0.275 50 20 DBGD Cc1c(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cnn1C 1335932163 IRMYZSSFWYUGGL-GFCCVEGCSA-N 315.399 -0.390 50 20 DBGD O=C(NCCO[C@@H]1CCOC1)NNC(=O)C1CCOCC1 1350986972 GPSQHSJHIDDQAX-LLVKDONJSA-N 301.343 -0.451 50 20 DBGD COc1nn(C)cc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1353043790 MEUPXCHGACVCQI-VIFPVBQESA-N 316.383 -0.465 50 20 DBGD NC(=O)c1ccc(NNC(=O)CSCc2cnn[nH]2)nn1 1577737735 RJGFGAVXVKQQHQ-UHFFFAOYSA-N 308.327 -0.930 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCCNCC1 1579051641 FCUPCYXGHIVQFQ-NWDGAFQWSA-N 316.402 -0.242 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 1594712661 XFGRYVDCTIWZJC-UHFFFAOYSA-N 311.298 -0.801 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cn1 1600944479 AKUZZOKHROALLU-BBMLUDOCSA-N 304.306 -0.379 50 20 DBGD CNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1OC 1604886454 YMWWFMGWEOAPSM-UHFFFAOYSA-N 321.297 -0.786 50 20 DBGD CN(C)CCOc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1606031959 KVKOZCVFEAIAEP-UHFFFAOYSA-N 324.337 -0.458 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnn(C)c2)C[C@H](C)O1 111545076 WDRRKYYOSSYBBA-QWRGUYRKSA-N 309.370 -0.320 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)c(F)c1 152162498 NYJGCBZONDYHSV-UHFFFAOYSA-N 308.313 -0.069 50 20 DBGD CNC(=O)[C@H]1CCCN1CC(=O)NNC(=O)c1ccccc1 182078133 UEURNRUYVMNELB-GFCCVEGCSA-N 304.350 -0.342 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCCSC1 267271798 FJYRHGKJWVBBFZ-VIFPVBQESA-N 300.384 -0.165 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CC(=O)N[C@@H](C)C1 296043925 BQRQNJHRZLBIQZ-LBPRGKRZSA-N 318.377 -0.495 50 20 DBGD CCN1CCOC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 367746539 NCMPWLULVVQDIW-NSHDSACASA-N 317.353 -0.174 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)COc1ccc(C#N)cc1 490893935 IJQQZJHEAVLDPN-UHFFFAOYSA-N 320.305 -0.169 50 20 DBGD CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(B(O)O)c(F)c1 584926294 JIAIPMOPCGPFIE-UHFFFAOYSA-N 310.134 -0.508 50 20 DBGD CCOCCO[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584965095 LHOMWCFMQIALSG-AWEZNQCLSA-N 307.155 -0.366 50 20 DBGD O=C(NCCO[C@H]1CCCCO1)c1ccc(B(O)O)c(F)c1 584991407 YFTVUIWHNHBUCH-ZDUSSCGKSA-N 311.118 -0.222 50 20 DBGD O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(B(O)O)c(F)c1 584996021 VGXUJGOCYILYNP-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD COCCN1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 585001101 QYUHBJDTGFGCGL-AWEZNQCLSA-N 306.171 -0.793 50 20 DBGD CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(B(O)O)cc1F 585042455 QVFHBSJVJPTHBW-JSGCOSHPSA-N 313.178 -0.247 50 20 DBGD CC1=C(C(=O)N2CC[C@H](B(O)O)C2)[C@@H](C)n2ncnc2N1C 585064114 MORIPUPGUDJDMK-ZJUUUORDSA-N 305.147 -0.362 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](B(O)O)C2)C1 585069152 LTQQZONFGVHRMS-QWRGUYRKSA-N 318.204 -0.877 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1 745847458 GNKLQAIGXHGJNZ-QFIPXVFZSA-N 324.362 -0.354 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)C(=O)NC1CC1)N1CCCC1=O 748557430 JDWUYZBZRVAPCT-LLVKDONJSA-N 310.354 -0.941 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCNC(=O)C1 772189009 WXPPETVWVCIWLY-ZJUUUORDSA-N 313.354 -0.362 50 20 DBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 774777654 YORHHNKLXSAHJG-QWRGUYRKSA-N 314.386 -0.001 50 20 DBGD CC(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 791293505 ZDSLKSCSLVKZCP-UHFFFAOYSA-N 311.323 -0.992 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)Cc2cncn2C)C[C@H](C)O1 806340672 UHJHIBWGQJADTH-RYUDHWBXSA-N 323.397 -0.391 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC(=O)N(CC)C1 807368355 FKFFXOLYKKRWNZ-JTQLQIEISA-N 315.370 -0.209 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](N2CCCC2=O)C1 827275627 WPMBJZXPMRXKHM-SDDRHHMPSA-N 324.381 -0.151 50 20 DBGD O=C(CN1CCC(CO)(NCC2CC2)CC1)NNC(=O)C1CC1 844335882 UMVWKJUBMUXOGG-UHFFFAOYSA-N 324.425 -0.630 50 20 DBGD CC1=C(C(=O)NNc2ncc(Cl)cn2)Cn2nnnc2N1C 857729159 LZBBDKACKHTXDE-UHFFFAOYSA-N 321.732 -0.016 50 20 DBGD COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454410 UIBWNUVMPSHZFR-BDAKNGLRSA-N 314.342 -0.817 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CN1CCc2ccccc21 863459440 BSRBQLRMWREMPJ-UHFFFAOYSA-N 311.363 -0.759 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)COCCOC)C1 869909507 YNSPECFNGPRLKM-NSHDSACASA-N 315.370 -0.555 50 20 DBGD C=CC(=O)N(CC)CC(=O)NN(C)C(=S)NCCCOC 899993245 UGQGKXJYVWFEFI-UHFFFAOYSA-N 316.427 -0.105 50 20 DBGD CC(C)CO[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 915262473 YQSLJEVMRGFFAW-ZJUUUORDSA-N 306.384 -0.370 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CS(=O)(=O)C1CCCC1 915827327 HEKWARSTJYHPHY-UHFFFAOYSA-N 319.383 -0.984 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NCCC(=O)N1CCOCC1 916251374 IQYGKEHTBLEDKN-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD CNC(=O)NNC(=O)/C(=C/c1ccccc1)n1nnnc1C 920744255 BDBMKHURPKBHSO-FLIBITNWSA-N 301.310 -0.060 50 20 DBGD Cn1nncc1NC(=O)C(=O)NNCC(F)(F)C(F)(F)F 1261827539 DEUOQIAAJVFEPR-UHFFFAOYSA-N 316.190 -0.428 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(-n2cnnn2)c1 1321141223 ZYHCJMJIPOJVDC-UHFFFAOYSA-N 315.293 -0.842 50 20 DBGD CN(C)c1nccc(NNC(=O)c2c([N+](=O)[O-])cnn2C)n1 1323516295 XQVBHGXNTLADTJ-UHFFFAOYSA-N 306.286 -0.059 50 20 DBGD C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)[C@@H]1CCC(=O)N1 1329076227 JJLALMHLYMZNLQ-AXFHLTTASA-N 317.411 -0.607 50 20 DBGD CCN(CC)c1ccc(NC(=O)C(=O)NNC(=O)CCO)cn1 1337981970 WLIFSMYNLTYJDW-UHFFFAOYSA-N 323.353 -0.604 50 20 DBGD Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1348434936 BSGMBVRAOSHYGL-SSDOTTSWSA-N 316.383 -0.603 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(C(F)F)nc1 1348437104 SAEKAYKJGNFOQE-UHFFFAOYSA-N 307.278 -0.175 50 20 DBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)CCCc1cnn[nH]1 1577678077 GAPSILNUJFHBNQ-GHMZBOCLSA-N 317.353 -0.188 50 20 DBGD CN1C[C@@H](O)C[C@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591171599 LISXLXVPCOCLQP-TVQRCGJNSA-N 318.341 -0.840 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 1593156102 LBYZKKMDOLRULX-RKDXNWHRSA-N 317.265 -0.707 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)C(=O)NNC(=O)C(C)(C)C 1601023049 KZPKZBXUVQIVGC-UHFFFAOYSA-N 311.298 -0.750 50 20 DBGD CC[S@@](=O)CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604476440 UAXLGBHDBKHYKR-JOCHJYFZSA-N 324.370 -0.344 50 20 DBGD O=C(NCCCN1CCc2ccccc2C1)NNC(=O)C(=O)O 1610692560 OSKCKJPPYLGEPJ-UHFFFAOYSA-N 320.349 -0.150 50 20 DBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2)[C@@H](O)CCl 1792983451 ODUKLKLZQWWAAU-USZNOCQGSA-N 316.785 -0.414 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)[C@H]2CCCO2)C1 1843105592 WJEKIOBSDUVPLM-GHMZBOCLSA-N 316.785 -0.032 50 20 DBGD O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843365425 PJSGXCYFCUGYIW-LPEHRKFASA-N 319.764 -0.553 50 20 DBGD Cn1c(=O)n(CC(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21 32260297 SZROABTYCKMYMX-LBPRGKRZSA-N 318.333 -0.334 50 20 DBGD C[C@H](CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 49119717 QIGGKWDWMAPPNX-SCZZXKLOSA-N 303.384 -0.060 50 20 DBGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)NC2CC2)C1=O 138683087 GZZPWCVBVAVWMW-UHFFFAOYSA-N 311.342 -0.410 50 20 DBGD COCCN(C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 288515120 VKFYIZRVXCEENC-NSHDSACASA-N 319.365 -0.066 50 20 DBGD O=C(CC1CC1)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 294194313 PAODRNAHKPNKIA-TXFQPVFDSA-N 317.345 -0.259 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCOC[C@@H]1C#N 298749932 WJCYXOMZBQQJCR-AWEZNQCLSA-N 316.361 -0.091 50 20 DBGD O=C(CN1CCSC[C@H]1C(=O)O)NNC(=O)c1ccccc1 316867790 BGDPQPQHVBJHDY-NSHDSACASA-N 323.374 -0.050 50 20 DBGD C[C@@](O)(CNC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F 584968587 YWMWYOZECUTHHO-SNVBAGLBSA-N 309.024 -0.451 50 20 DBGD Cn1ncc2c1CCCN(C(=O)c1cc(B(O)O)ccc1F)C2 585002149 NXEBWQXGNUNPQE-UHFFFAOYSA-N 317.129 -0.172 50 20 DBGD COC1CCN(CCNCc2ccc(B(O)O)cc2F)CC1 585033254 BXYPMLGKTRJNDD-UHFFFAOYSA-N 310.178 -0.294 50 20 DBGD OC[C@@]1(CNCc2ccc(B(O)O)o2)CCc2ccccc21 585048898 XZBBLFFSGMFYLE-INIZCTEOSA-N 301.151 -0.075 50 20 DBGD COCCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 727097936 AJGRVIISXPPDLX-UHFFFAOYSA-N 314.367 -0.223 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(N)=O)cc1 728435401 ZWQIXGJHNHSYOJ-QMMMGPOBSA-N 312.351 -0.827 50 20 DBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)C2CCC2)CC1 732446039 HEQLFGQQGUTKJA-UHFFFAOYSA-N 311.386 -0.719 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 753437022 GATNNBCBDZKWAM-GFCCVEGCSA-N 317.345 -0.332 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(C)=O)c2ccccc2O1 763516889 PBLZFXZMYOTZIX-NSHDSACASA-N 321.289 -0.879 50 20 DBGD CCCCOc1ccc(NC(=O)C(=O)NNC(=O)COC)cn1 773496037 JDSMLZZCYBMDTR-UHFFFAOYSA-N 324.337 -0.007 50 20 DBGD O=C(NC[C@@H]1CCCS1(=O)=O)NNc1ncncc1F 814313423 WGANRYGYZBWKIK-ZETCQYMHSA-N 303.319 -0.181 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC(=O)N1 831763162 LRZJZPHNUUSKQI-VIFPVBQESA-N 324.768 -0.079 50 20 DBGD O=C(O)Nc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1 832838569 KJGOTTOKJGJZRC-JTQLQIEISA-N 309.278 -0.047 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c1 847286637 WMBVMRKINLUJMJ-VXGBXAGGSA-N 321.333 -0.024 50 20 DBGD CC(C)(C)n1nnc(CNC(=O)NNC(=O)c2ccc[nH]2)n1 847418485 FKOLRGQZURRDSU-UHFFFAOYSA-N 306.330 -0.100 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)COCc1ccccc1 847512686 WWOIEOIFHSQSSQ-NEPJUHHUSA-N 305.334 -0.138 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(F)n2)CC1 856426633 CCDDXQYWXJBGNQ-UHFFFAOYSA-N 301.299 -0.441 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOc2ccccc2)N1 858088444 FBUMQNXLPHRVRH-LLVKDONJSA-N 306.322 -0.326 50 20 DBGD CC1CCN(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858151382 DHAAHABPEZQTHF-LLVKDONJSA-N 311.386 -0.673 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)CC(C)C 858545042 HRBAXNNJPLECTG-NXEZZACHSA-N 300.359 -0.344 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2cc(Cl)nc(N)n2)C1=O 860727389 BEOVWLSJECYZDG-UHFFFAOYSA-N 313.705 -0.951 50 20 DBGD C[C@@H](NNC(=O)CCN1CCCS1(=O)=O)C(F)(F)F 862310561 ZLFGRMURFIWWDQ-SSDOTTSWSA-N 303.306 -0.016 50 20 DBGD CCCC(=O)NC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 864877969 XGGASJUCTVHGJZ-UHFFFAOYSA-N 318.182 -0.113 50 20 DBGD CCCCNC(=O)NNC(=O)CCN1CCCS1(=O)=O 920822449 RSHASYIIOFBWEC-UHFFFAOYSA-N 306.388 -0.458 50 20 DBGD C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)C(=O)N1CCCC1 1116267116 FJQHPGCYIGXRJO-GHMZBOCLSA-N 312.370 -0.246 50 20 DBGD COCCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)n1 1254466241 OBUXSDGBLLYGRS-UHFFFAOYSA-N 323.353 -0.779 50 20 DBGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)C(=O)OC)c1 1318900734 PRAKWWUNYMSDFZ-UHFFFAOYSA-N 313.335 -0.392 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=S)NC(C)C 1323093619 IEVKGHPSYDEULK-UHFFFAOYSA-N 310.445 -0.390 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCn2ccnc2C1 1326016091 LPSAOTCQRMHHHW-HBNTYKKESA-N 307.354 -0.047 50 20 DBGD CN(C)N(C(=O)[C@@H]1CCCNC1=O)[C@H]1CCS(=O)(=O)C1 1332138912 YJLIOSGFLPSCKE-VHSXEESVSA-N 303.384 -0.995 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCOCC(F)(F)C(F)F 1343755754 QFMFPTFNELVJCH-UHFFFAOYSA-N 319.211 -0.593 50 20 DBGD O=C(NNC(=O)[C@@H](F)C(F)(F)F)N[C@H]1CCS(=O)(=O)C1 1343895075 JLUXDNXXZRZMRZ-CRCLSJGQSA-N 321.252 -0.596 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)[C@@H]1CCN1 1580732478 DJVPHISVRZJSCR-KOLCDFICSA-N 320.324 -0.312 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1ccc(C(=O)O)c(F)c1 1601302420 JNPDTMDZJADBFZ-UHFFFAOYSA-N 310.241 -0.481 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2nn[nH]n2)cs1 1609558293 ZTESPTVABZYSSG-SSDOTTSWSA-N 308.323 -0.132 50 20 DBGD C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1800749524 RPCDQZSUGSLDBS-GENCIFFESA-N 308.737 -0.509 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1OC 48962036 YEGKWHYEKQEPPO-UHFFFAOYSA-N 303.296 -0.484 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@H](CO)C1 156192842 BBGFPOWFRDQRHY-ZDUSSCGKSA-N 305.378 -0.001 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnns2)C[C@@H](C)O1 264840489 LBFAQUZYYLXULT-RKDXNWHRSA-N 313.383 -0.202 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccc1 272511730 URIWYQFZCIMHKT-SKDRFNHKSA-N 305.334 -0.277 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)CCCC(N)=O)cc1 278674830 KLKZGLNKXUTQDU-UHFFFAOYSA-N 308.338 -0.090 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(=O)NC1CC1 279842002 AIQOCXKDAIZGTH-SSDOTTSWSA-N 322.287 -0.703 50 20 DBGD COC(=O)NCCNC(=O)NNC(=O)COCc1ccccc1 497285581 MKTIEJVTMNWJBC-UHFFFAOYSA-N 324.337 -0.110 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)N1CCCC1 584984598 BPOPHTQAIDKLOJ-VIFPVBQESA-N 308.118 -0.754 50 20 DBGD COCC1(CNC(=O)c2cccc(B(O)O)c2)CCOCC1 584991616 FGTURPPTDOIELK-UHFFFAOYSA-N 307.155 -0.461 50 20 DBGD CC(C)[C@@H](NCc1ccc(B(O)O)cc1)C(=O)N1CCOCC1 585026880 SYZGYKKTFBXWIC-OAHLLOKOSA-N 320.198 -0.661 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 725906082 QRGDZJVZHCMFRT-JTQLQIEISA-N 308.294 -0.968 50 20 DBGD CCOCC(=O)NNC(=O)NCCCN1CCCCC1=O 731283608 NGIUDXSRQODICQ-UHFFFAOYSA-N 300.359 -0.244 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1nc2nccc(C)n2n1 731879883 YLCYAXUDONENAJ-UHFFFAOYSA-N 300.282 -0.461 50 20 DBGD Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)c1cnn[nH]1 747379181 FNLISJTWCCKSLI-UHFFFAOYSA-N 319.325 -0.019 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC(=O)N(CC(F)(F)F)C1 753829389 RFFLCJGJBUIKEQ-SSDOTTSWSA-N 310.276 -0.404 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CN1C1CC1 753942374 FPTDCSNQIXWLKI-PSASIEDQSA-N 309.370 -0.779 50 20 DBGD NC(=O)c1cccc(NC(=O)NNC(=O)c2cnccn2)n1 757738566 PSCMYNJKQNOVPM-UHFFFAOYSA-N 301.266 -0.563 50 20 DBGD O=C(CN1CCN2C(=O)CC[C@H]2C1)NNC(=O)c1ccccc1 766272088 OPDWUZMZKNFGQQ-ZDUSSCGKSA-N 316.361 -0.246 50 20 DBGD COc1ccc(NNC(=O)c2ccnc(S(N)(=O)=O)c2)nc1 781535018 XLMHKDDTDGUHRK-UHFFFAOYSA-N 323.334 -0.111 50 20 DBGD O=C(CSc1n[nH]c(O)n1)NNc1nc2ccccn2n1 791261680 LLFLMRWXCJNWAY-UHFFFAOYSA-N 306.311 -0.212 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)Nc1ccccc1 807288775 WZTUNSIZOFKFGA-UHFFFAOYSA-N 321.337 -0.520 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2csc3cncn23)CC1 807380848 STAAFRUEURVZBF-UHFFFAOYSA-N 308.367 -0.002 50 20 DBGD O=C(C[C@H]1CNCCO1)NNc1nc(-c2ccncc2)no1 828217926 QIHMHCCCAWLVDP-JTQLQIEISA-N 304.310 -0.047 50 20 DBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCCCO1 850462767 RMFRZWLTQZOXNV-JTQLQIEISA-N 323.353 -0.134 50 20 DBGD CCN1C[C@H](C(=O)NN(C)C(=S)NCCCOC)CC1=O 854280559 YDZHFFVIHSQVEL-SNVBAGLBSA-N 316.427 -0.271 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1 855096514 BXNSJGCULVDWGN-YUMQZZPRSA-N 322.456 -0.392 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)c1=O 857144401 KBODELPTJZBVDN-MXWKQRLJSA-N 319.365 -0.082 50 20 DBGD CCc1cnccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858695609 GUBHYEDZACENOQ-LLVKDONJSA-N 305.338 -0.247 50 20 DBGD Cc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863411950 DJOANNNWGBILJQ-SECBINFHSA-N 315.326 -0.278 50 20 DBGD CCOc1ccccc1C(=O)NNC(=O)CS(C)(=O)=O 863459451 SKFXAIXPLBYGGW-UHFFFAOYSA-N 300.336 -0.109 50 20 DBGD CC(C)Oc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)n1 863463981 BOSFXCCJOJRSSI-UHFFFAOYSA-N 315.351 -0.326 50 20 DBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 913173086 GYHVBRVCFVDTRI-UHFFFAOYSA-N 313.335 -0.665 50 20 DBGD CCCn1cc(C(=O)NNC(=O)CN2CCCC2=O)c(C)n1 1120765849 MRVIHAXOEVITST-UHFFFAOYSA-N 307.354 -0.015 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1251842850 LZMGUMBTWYEBIJ-SECBINFHSA-N 310.397 -0.652 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1F 1255508207 TZYFBGIIEMPQQF-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD CN(C)N(C(=O)CN1CCSC1=O)[C@@H]1CCS(=O)(=O)C1 1321497813 ODECPSXZFUZCNF-SECBINFHSA-N 321.424 -0.353 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)CC(C)C 1323940883 LGAXQDXCWLMKRO-UHFFFAOYSA-N 308.338 -0.174 50 20 DBGD CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 1323943461 HWPZXSPPWFFTGO-UHFFFAOYSA-N 322.321 -0.233 50 20 DBGD CN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(=O)C1CC1 1324348434 LKXZMHZEONLVSL-LLVKDONJSA-N 317.411 -0.653 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1cn2c(C)cccc2n1 1326014076 QMGHWRHPROCTNQ-UHFFFAOYSA-N 319.321 -0.311 50 20 DBGD Cn1nnnc1-c1ccc(NC(=O)NNC(=O)CCO)cc1 1329418370 YZNVUPIHVDQQFA-UHFFFAOYSA-N 305.298 -0.588 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCCCCS(N)(=O)=O)cn1 1329636404 NXHFMAJNOHGVOC-UHFFFAOYSA-N 317.371 -0.970 50 20 DBGD CCn1nnc(C)c1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549313736 HTQDVHGVQSHNEY-WCQYABFASA-N 306.370 -0.080 50 20 DBGD COc1cc(NC(=O)NNC(=O)CCCc2cnn[nH]2)[nH]n1 1577055319 QODLZXJMKYLNMJ-UHFFFAOYSA-N 308.302 -0.288 50 20 DBGD CN1CCNC[C@@H]1C(=O)NNc1cc(O)nc2ncccc12 1578538353 LIALCLQTJILJAA-LLVKDONJSA-N 302.338 -0.318 50 20 DBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591189642 HKROQBCYMXHOJA-LLVKDONJSA-N 315.337 -0.278 50 20 DBGD Cn1nncc1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592611850 UNMSSRLPEJTNLP-UHFFFAOYSA-N 301.274 -0.461 50 20 DBGD CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1597250594 TVWZKQFIJKMXBU-VQXVYSPMSA-N 305.356 -0.519 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@H](C(=O)O)C1 1609653468 XLYIWUZAGXOTOS-SECBINFHSA-N 317.411 -0.071 50 20 DBGD O=C(NNC(=O)C(=O)O)NC1CCN(c2nccs2)CC1 1610699089 GFEFIFNITJETQH-UHFFFAOYSA-N 313.339 -0.473 50 20 DBGD CC(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792975877 BAWYXBZYTAYVBZ-WRWGMCAJSA-N 318.801 -0.168 50 20 DBGD O=C(COc1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 9930851 QVVVBWKUAOPOGG-JTQLQIEISA-N 312.347 -0.353 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 55617251 CYPWBJOGTAKPPZ-MRVPVSSYSA-N 316.383 -0.260 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)C(=O)NC(C)C 264974428 HNMFYIOMNUHLLP-UHFFFAOYSA-N 308.338 -0.221 50 20 DBGD COc1ccc(S(=O)(=O)N[C@@H](C(=O)NN)C(C)C)cc1 270221608 MIIZKJVFCAEFBE-LLVKDONJSA-N 301.368 -0.012 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1Oc2ccccc2O[C@H]1C 282478679 GYAVJWMZRDASLB-CABZTGNLSA-N 321.333 -0.113 50 20 DBGD CC(C)[C@H](O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 291476338 QASPPKSVPKFIFI-NSHDSACASA-N 304.310 -0.560 50 20 DBGD O=C(CC1CC1)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 294159330 MZLXODCGAJIIBH-OLZOCXBDSA-N 318.333 -0.095 50 20 DBGD O=C(CCn1cc(Cl)cn1)NNC(=O)C(=O)N1CCCC1 299486893 MBAHPACVLZHRBU-UHFFFAOYSA-N 313.745 -0.304 50 20 DBGD C[C@H](NCc1ccc(B(O)O)cc1)C(=O)NCc1ccco1 585032185 CLDVOLFZIOGZLW-NSHDSACASA-N 302.139 -0.246 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=S)N[C@H](C)C1CC1 728449875 OOISSLCFMRSHAT-RNFRBKRXSA-N 308.429 -0.782 50 20 DBGD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 735512755 MVYBLGOLQXUMDA-DTWKUNHWSA-N 310.358 -0.333 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 737362293 ZNFGKTYOEGPUAF-UHFFFAOYSA-N 310.266 -0.384 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 743831596 ZLXXGOPKLAQWAL-UHFFFAOYSA-N 301.324 -0.111 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1C(=O)Nc2ccccc21 748699648 SEYYNFJUTCAWDY-SNVBAGLBSA-N 318.333 -0.216 50 20 DBGD Cc1c(C(=O)NNC(=O)CO)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 753445372 YUDZPMWDLRDQPW-UHFFFAOYSA-N 312.238 -0.127 50 20 DBGD C[C@H]1COCCCN1C(=O)NNC(=O)CNC(=O)c1ccco1 772998786 ODSMWDNRRXOBHI-JTQLQIEISA-N 324.337 -0.139 50 20 DBGD CCOC(=O)C(C)(C)CC(=O)NNc1ccc(C(N)=O)nn1 807046500 ZVHTUNVZBCKTLJ-UHFFFAOYSA-N 309.326 -0.002 50 20 DBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)c1ccc2c(c1)OCCO2 816831244 LRKISZYNROZVDT-JTQLQIEISA-N 319.317 -0.113 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 821682056 YSKFVUOVPWYXGO-CYBMUJFWSA-N 320.309 -0.975 50 20 DBGD CCN(CCO)NC(=O)CN1C(=O)c2ccc(C)cc2C1=O 823838307 NXOSZPVKRFHGAS-UHFFFAOYSA-N 305.334 -0.064 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(=O)n1C 826640106 UMQODHHBQLAOJZ-PWSUYJOCSA-N 322.365 -0.051 50 20 DBGD CNC(=S)N(C)NC(=O)COCCNC(=O)OC(C)(C)C 854923904 MMPHRUYWQUZNRF-UHFFFAOYSA-N 320.415 -0.005 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1cc(C)cs1 858380067 SGFHUVFAPGILHG-UHFFFAOYSA-N 320.396 -0.450 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OCC1CC1 858539687 JKCRNUCRTCKPJN-JTQLQIEISA-N 312.370 -0.199 50 20 DBGD COc1cc2c(cc1F)C(=NNC(=O)[C@H]1CCC(=O)N1)C(=O)N2 863150034 LHLHVXXCCWEBCX-MRVPVSSYSA-N 320.280 -0.115 50 20 DBGD CCN1CCOC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 875062488 LZLZDMHINLOJDZ-RYUDHWBXSA-N 319.427 -0.801 50 20 DBGD Cn1ccnc(NNC(=O)CS(=O)(=O)C2CCCC2)c1=O 1116200873 ZEWVUWJVJLFXJH-UHFFFAOYSA-N 314.367 -0.419 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 1116600650 ZFGBOJCNFOUNKM-UHFFFAOYSA-N 306.322 -0.636 50 20 DBGD Cc1nnc2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cn12 1251432390 ULSDYXWSXNNPMP-UHFFFAOYSA-N 316.321 -0.579 50 20 DBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1O 1251558735 CVJZLRYSEKQHBI-UHFFFAOYSA-N 301.324 -0.619 50 20 DBGD Cc1sc(=O)n(CC(=O)NNc2nccn(C)c2=O)c1C 1252519211 VBCMJIWIXUPFNQ-UHFFFAOYSA-N 309.351 -0.236 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 1327760558 JCWXMUOPSCVUPC-UHFFFAOYSA-N 316.343 -0.195 50 20 DBGD CCN1CCC[C@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1328719948 ZEBXOZULQKSHPW-MNOVXSKESA-N 311.386 -0.673 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1 1335591299 SVWJEGQDVUVAOT-SECBINFHSA-N 307.310 -0.836 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCOC[C@@H]2CCOC2)cn1 1339216021 ZWKKDJFIEWNFNG-SNVBAGLBSA-N 311.342 -0.583 50 20 DBGD CC(C)CCn1cc(C(=O)NNC(=O)C(=O)NC2CC2)nn1 1339399461 ZKRXSXPXRLQAPL-UHFFFAOYSA-N 308.342 -0.636 50 20 DBGD CC(=O)NCC(=O)N1CCCN(S(=O)(=O)CCl)CC1 1351409147 VAJYYCGFPNBOGF-UHFFFAOYSA-N 311.791 -0.817 50 20 DBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2)c1C 1574165180 FGMYXEYAZBODMR-UPJWGTAASA-N 321.377 -0.059 50 20 DBGD O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)[C@@H]1CCC(=O)N1 1574513904 OEYJHJAXFXIOMA-NCJLJLRUSA-N 307.262 -0.583 50 20 DBGD O=C(NNC(=O)c1cc(Cl)ccc1O)C1=NOC2(CNC2)C1 1580735726 DMQSBFUEPKKKLW-UHFFFAOYSA-N 324.724 -0.075 50 20 DBGD CCN(CCO)NC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 1590714776 XEIIAEGWRIGKJA-UHFFFAOYSA-N 306.326 -0.166 50 20 DBGD Cn1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1C=O 1592593680 XVWPPUOXJZGKND-UHFFFAOYSA-N 313.281 -0.435 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(C(=O)O)c1F 1593353482 XYPKCYIMIQHYSQ-ZCFIWIBFSA-N 319.314 -0.095 50 20 DBGD O=C(O)COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1 1595118739 GMFGKWDUUNVIEC-UHFFFAOYSA-N 318.289 -0.123 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1603448697 FDFHZERVFMVOQM-OCAPTIKFSA-N 315.326 -0.231 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1606424196 DAFASDDFUGBDBB-SFYZADRCSA-N 316.325 -0.394 50 20 DBGD COC[C@@]1(C(=O)O)CCCN1C(=O)c1cccc(B(O)O)c1 1606833212 MUSUSBHCOMJCSE-CQSZACIVSA-N 307.111 -0.928 50 20 DBGD Cc1ccc(C2=NO[C@H](CNC(=O)NNC(=O)C(=O)O)C2)cc1 1607766637 CPQNEXMZAFZSEF-JTQLQIEISA-N 320.305 -0.097 50 20 DBGD O=C(c1nc[nH]n1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847560326 QDGAWNMWFHNIEW-CIUDSAMLSA-N 313.745 -0.780 50 20 DBGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)CN(C)C 113424721 ZLWBITZZVIVBHM-ZDUSSCGKSA-N 304.350 -0.327 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)[nH]n1 154208326 DDGMJSPZDQIYQH-UHFFFAOYSA-N 314.305 -0.027 50 20 DBGD CC(C)[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 182257523 VTHDYOCGYWUAQB-AWEZNQCLSA-N 318.377 -0.096 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1cn2ccccc2n1 266958669 VNKLKMSCBMZVOW-UHFFFAOYSA-N 306.322 -0.313 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1O 269367855 VWVNNFVVQSXKKC-VIFPVBQESA-N 311.250 -0.523 50 20 DBGD CCOc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)C 274092462 UKTFGUTWPACYAM-UHFFFAOYSA-N 308.338 -0.267 50 20 DBGD C=CCNC(=S)NNC(=O)CCN1CCCS1(=O)=O 281158886 IAAQHOVLLOMLTC-UHFFFAOYSA-N 306.413 -0.907 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2c(c1)C(=O)NC2=O 294511234 DJMAJWFVRHNZMU-JTQLQIEISA-N 303.274 -0.490 50 20 DBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)CO)CC1CC1 495048582 NYPFOOJRJJJRLF-UHFFFAOYSA-N 301.343 -0.227 50 20 DBGD Cc1nccn1C[C@@H](C)CNC(=O)c1cccc(B(O)O)c1 584932341 LGZMCXUJNCIGQN-NSHDSACASA-N 301.155 -0.063 50 20 DBGD CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584937483 ORXHAIZBCVWNNJ-CYBMUJFWSA-N 318.182 -0.255 50 20 DBGD CN(C(=O)c1cccc(B(O)O)c1)C1CCS(=O)(=O)CC1 584953489 DHGSXYMNXHCYMJ-UHFFFAOYSA-N 311.168 -0.984 50 20 DBGD COC[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H](C)O1 584978905 FXTZZFCWRDAYTR-GXSJLCMTSA-N 311.118 -0.619 50 20 DBGD O=C1CN(C(=O)c2cccc(B(O)O)c2)CN1CC(F)(F)F 584980528 BUVJJTCICNVFGR-UHFFFAOYSA-N 316.044 -0.829 50 20 DBGD CS(=O)(=O)CCCCNC(=O)c1cc(B(O)O)ccc1F 585000892 PNJCZURYANKKEG-UHFFFAOYSA-N 317.147 -0.940 50 20 DBGD C[C@H]1NC(=O)CC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 585002280 SAXWMDKSDXYKIF-RKDXNWHRSA-N 308.118 -0.850 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)NC1(CO)CCOCC1 732205064 YWCIGAUBQWBEPY-LLVKDONJSA-N 301.387 -0.301 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1ccc(C#N)cc1 733660207 DWFSWSPQMCKBEM-SECBINFHSA-N 324.362 -0.065 50 20 DBGD Cn1ncc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1N 754537613 URISEFDLHOPUSZ-UHFFFAOYSA-N 317.305 -0.380 50 20 DBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 763557915 KEFIGOLMTMQNCX-UHFFFAOYSA-N 305.290 -0.031 50 20 DBGD COC[C@@](C)(O)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772158508 FPPBJMLADFMHKC-NOZJJQNGSA-N 304.343 -0.491 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)N(C)C)c1 772224667 CFHZGUQJGJXPLK-UHFFFAOYSA-N 308.338 -0.344 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C1(O)CCOCC1 772898001 FQGQJARIYOCFSR-UHFFFAOYSA-N 310.306 -0.540 50 20 DBGD CS(=O)(=O)CC[C@@H](C(=O)NNC(=O)CO)c1ccccc1 790919574 RASDMLPBBRKSCL-LLVKDONJSA-N 314.363 -0.655 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2nccnc2C)CC1 799325828 MFAMNBTWFIRWCE-GFCCVEGCSA-N 320.397 -0.147 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cncc(-n3ccnn3)c2)cn1 801674544 NOSGEECDOVCQPZ-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD CC[S@@](=O)CC(=O)OCC(=O)NNC(=O)c1ccccc1 803472419 BVECFBBXSYAZLS-OAQYLSRUSA-N 312.347 -0.241 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNc1ccccc1C(N)=O 809670390 LYMCPFZCICJPPL-UHFFFAOYSA-N 316.321 -0.310 50 20 DBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NN(C)C2CC2)c1 819647977 UOAWDGRHILQTFK-UHFFFAOYSA-N 316.383 -0.322 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC(=O)N1 831762158 AOQAJWXMNIIWKJ-JTQLQIEISA-N 315.333 -0.860 50 20 DBGD O=C(O)NNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 833280824 QGLXLTMJHPHJID-UHFFFAOYSA-N 305.224 -0.246 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 847856816 UBJFPRBHQINPMU-MRXNPFEDSA-N 319.361 -0.247 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1cccc(F)n1 856426640 CPDCBLVJYDZMMN-VIFPVBQESA-N 312.301 -0.885 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2cnnn2C)C1 857271538 PNIJAPOLRPTXQL-VIFPVBQESA-N 316.387 -0.680 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCOC(=O)N2)c(OC)c1 859245527 ARHHQKHMDHCGAF-JTQLQIEISA-N 323.305 -0.037 50 20 DBGD CN(CC(=O)N1CCNC(=O)C1)NC(=O)OCc1ccccc1 859389260 DYEZBVDBXQMJKI-UHFFFAOYSA-N 320.349 -0.282 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C3CC3)nn2)N1 860779565 GBESBWXVHNFWIU-VIFPVBQESA-N 304.310 -0.215 50 20 DBGD O=C(C[C@H]1COc2ccccc2O1)NNC(=O)[C@@H]1CCC(=O)N1 862458566 BODXSUBYWHLBLJ-UWVGGRQHSA-N 319.317 -0.358 50 20 DBGD C#CCCN1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 863873675 JLXLCJZQUHQUCD-UHFFFAOYSA-N 318.157 -0.277 50 20 DBGD Cn1ccnc(NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)c1=O 863894316 OBPHYNBEQDTLKV-OAHLLOKOSA-N 319.365 -0.080 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)c1cc(O)ncn1 863897117 UQGRJCZIHLULSG-UHFFFAOYSA-N 317.309 -0.434 50 20 DBGD COCCOCC(=O)NNC(=O)CN1CSCCSC1 913434043 SXMFOAZFMUFIAN-UHFFFAOYSA-N 323.440 -0.506 50 20 DBGD CCCNC(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 921042464 WUFGJEOCRFRPHK-UHFFFAOYSA-N 313.358 -0.163 50 20 DBGD COC(=O)C(=O)NNC(=O)NC1CCC2(CC1)OCCO2 1116187024 KPUMQIRHTOCVKC-UHFFFAOYSA-N 301.299 -0.825 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1nc(O)c2ccccc2n1 1116257989 BTURYEDDHQPONN-UHFFFAOYSA-N 316.277 -0.670 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@@H](C)S1(=O)=O 1118864289 NNJDHZUOJQLTRF-HTQZYQBOSA-N 315.355 -0.729 50 20 DBGD O=C(CO[C@H]1CCOC1)NNc1nccc(N2CCOCC2)n1 1253041695 SUKHZPZCSNRSJN-NSHDSACASA-N 323.353 -0.438 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1COc2c(C)cccc2C1 1330070785 SVAKWYXJYJFZJY-JTQLQIEISA-N 307.306 -0.198 50 20 DBGD CCc1nnc(O)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1CC 1331804430 WDJOATKJIDTMKS-VIFPVBQESA-N 321.337 -0.653 50 20 DBGD COc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1[N+](=O)[O-] 1343824392 YFEUEDTZVNDCGI-UHFFFAOYSA-N 322.277 -0.357 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2nnnn2C)cc1 1346639972 MFZQVTAIHALRTQ-QMMMGPOBSA-N 319.325 -0.076 50 20 DBGD O=C(Cc1ccccc1O)NNC(=O)C1(C2(O)CNC2)CCC1 1580574170 WPBGKWOCYMMRBP-UHFFFAOYSA-N 319.361 -0.413 50 20 DBGD O=C(NNC(=S)Nc1cccc(Cl)c1)C1(O)CNC1 1580737075 JJCVMTUKUNVRFR-UHFFFAOYSA-N 300.771 -0.008 50 20 DBGD NS(=O)(=O)c1ccc(N2CC[C@@H](B(O)O)C2)c(C(=O)O)c1 1601199174 NJPFXVDTXWAXPF-SSDOTTSWSA-N 314.128 -0.915 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1603322919 QHWNYCRZVRAYMP-SECBINFHSA-N 313.354 -0.107 50 20 DBGD COCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605105777 CTFSBTWXFCQJHX-UHFFFAOYSA-N 305.298 -0.543 50 20 DBGD O=C(NNC(=S)NCCCN1CCOCC1)c1ccc[nH]1 34880057 PQGDHLFLYFAURY-UHFFFAOYSA-N 311.411 -0.154 50 20 DBGD O=C(CN1CCC[C@@H](OCCO)C1)NNC(=O)c1ccccc1 265223012 OYCDTZCQHYNUAT-CQSZACIVSA-N 321.377 -0.079 50 20 DBGD C[C@H](O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 276149937 QFHYKFLWYVWEQQ-QMMMGPOBSA-N 315.351 -0.921 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)O1 290386470 CGIDXDDREGBXNA-NTSWFWBYSA-N 313.232 -0.400 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@@H]1CCNC1=O 298491839 JPPVLQYLYNYGDS-GFCCVEGCSA-N 322.340 -0.203 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc3c(c2)NC(=O)CO3)cn1 367547141 RCFQAIGCQNTZBG-UHFFFAOYSA-N 316.277 -0.779 50 20 DBGD COc1nccnc1NNC(=O)c1cnc2c(c1)NC(=O)CO2 372522487 NYELHRLOBOEZLO-UHFFFAOYSA-N 316.277 -0.032 50 20 DBGD CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN(C)C 493734636 YRUVVUXSGNRLMT-VIFPVBQESA-N 302.375 -0.001 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1OCC[C@@H]1Cn1cccn1 584912918 XRMACRKOHIKWCE-BXUZGUMPSA-N 315.138 -0.393 50 20 DBGD CC(=O)NC1CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584938179 JOIPTDXWHUFFLS-UHFFFAOYSA-N 322.145 -0.317 50 20 DBGD Cc1nc2n(n1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 584939903 MRNSXJYYNIAWLO-LBPRGKRZSA-N 300.127 -0.989 50 20 DBGD O=C(NCCCN1CCC(O)CC1)c1ccc(B(O)O)c(F)c1 584948401 LIQKLYQXCXCIKB-UHFFFAOYSA-N 324.161 -0.918 50 20 DBGD NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584962969 NQNGTSJWXOARHX-SCZZXKLOSA-N 308.118 -0.721 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@]2(CCOC2)O1 584983777 OUVJHSWWGHNCIO-ABAIWWIYSA-N 305.139 -0.614 50 20 DBGD CS(=O)(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCC1 584985384 LAQJEVRNDQIIFO-UHFFFAOYSA-N 311.168 -0.937 50 20 DBGD Cn1cccc1C(=O)NCCNCc1cccc(B(O)O)c1 585015164 QQWNHOYOXKJKNW-UHFFFAOYSA-N 301.155 -0.776 50 20 DBGD CNC(=O)c1cccc(CCNCc2ccc(B(O)O)o2)c1 585024952 IGGQQPRMPZDTMW-UHFFFAOYSA-N 302.139 -0.349 50 20 DBGD O=C(CN1CCN(c2ccccn2)CC1)N1CC[C@H](B(O)O)C1 585070143 UBRFGCRTZPYDTR-ZDUSSCGKSA-N 318.186 -0.721 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)COCc2ccccc2)CN1 737628678 BKEORUTZDTVBPS-GFCCVEGCSA-N 305.334 -0.123 50 20 DBGD C[C@@H]([C@@H](C)N(C)CC(=O)NNC(=O)C(C)(C)C)S(C)(=O)=O 744403301 OVFNKYAPVZPWFK-ZJUUUORDSA-N 321.443 -0.067 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)c1nc(O)nc(O)c1N 746015155 MVKZSQJCIHHXDV-UHFFFAOYSA-N 303.278 -0.147 50 20 DBGD CCc1nc(COc2ccc(C(=O)NNC(=O)CO)cc2)no1 753442706 MWPFQSNRFVERQO-UHFFFAOYSA-N 320.305 -0.036 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 764301451 FCAOMQKNYBBTIA-UHFFFAOYSA-N 323.305 -0.074 50 20 DBGD Cn1cc(C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C)cn1 767543885 WIMLFELEGCSLDV-UHFFFAOYSA-N 302.356 -0.606 50 20 DBGD COC[C@H](CO)NC(=O)NNC(=O)c1c(C)nc2ccccn12 792778013 ROPDKZRSRNABOD-JTQLQIEISA-N 321.337 -0.406 50 20 DBGD COC(=O)c1cc(C=NNC(=O)C(=O)NC2CC2)n(C)c1C 800809816 XIAPTRZYBLYWCL-UHFFFAOYSA-N 306.322 -0.151 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1ncccc1F 805097185 LYMLANNBPXEWLQ-UHFFFAOYSA-N 305.335 -0.214 50 20 DBGD Cn1cnc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 809949783 ARUDQRYRYLUCLQ-JTQLQIEISA-N 303.278 -0.584 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)c1ccccc1 844270820 NEVWQZCICJPARI-UHFFFAOYSA-N 315.333 -0.158 50 20 DBGD C[C@H](COCC1CC1)NC(=O)NNC(=O)C(=O)N1CCCC1 845584675 VVZYRMFXNGSBJV-SNVBAGLBSA-N 312.370 -0.246 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H]2C(N)=O)cc1 859665000 NENJAHKOXWTKMX-LBPRGKRZSA-N 315.333 -0.731 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNc3cnccn3)CC2=O)cn1 860936670 IVBRCESZUSGRTE-VIFPVBQESA-N 301.310 -0.294 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1 863458003 SHBJWXWULUJKAW-UHFFFAOYSA-N 315.307 -0.671 50 20 DBGD CC[C@H](C(=O)NNC(=O)COCCOC)N1CCCC1=O 869909757 IPROGDJUQAPITL-SNVBAGLBSA-N 301.343 -0.802 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1C1CCCC1)c1cccnn1 882056912 IHYQTHCEPLQHHB-CYBMUJFWSA-N 319.365 -0.119 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 910152661 SGPPWDQKLGJFOG-VIFPVBQESA-N 318.399 -0.767 50 20 DBGD CCCCOCCCNC(=O)NNC(=O)C(=O)NC1CC1 915887892 AGHQBSOJDKJTIV-UHFFFAOYSA-N 300.359 -0.198 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCCO1 921166971 VNNQQCOAYPBISN-QWRGUYRKSA-N 315.370 -0.367 50 20 DBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c1 1116599974 LQRAPQMWBWOZPU-UHFFFAOYSA-N 311.301 -0.199 50 20 DBGD O=C(NC[C@H]1CC1(Cl)Cl)NNC(=O)C(=O)NC1CC1 1317853207 PMTHPTNHMHGWMQ-RXMQYKEDSA-N 309.153 -0.211 50 20 DBGD COCc1nc2n(n1)C[C@@H](NC(=O)NNc1cccnn1)CC2 1319157533 OMXPJSBHIUOBDW-VIFPVBQESA-N 318.341 -0.144 50 20 DBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)C(C)(C)O 1320825673 UONQWAXDYAXWCM-UHFFFAOYSA-N 308.294 -0.633 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc3c(c2)C(=O)NC3=O)c1=O 1322297337 WCHLXDRVSKKIEU-UHFFFAOYSA-N 313.273 -0.579 50 20 DBGD CC(C)Cn1cnc(S(=O)(=O)NNC(=O)c2cnccn2)c1 1323560352 BLQOEWUQCFXWKN-UHFFFAOYSA-N 324.366 -0.048 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 1325504160 SSYAWNPSGRLWSV-UHFFFAOYSA-N 322.321 -0.693 50 20 DBGD Cc1noc(C)c1CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328803527 DKYOXQXPTYJVEP-JTQLQIEISA-N 309.326 -0.257 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1nc2c(s1)CSCC2 1329085762 KTLJGFFOZREDLG-UHFFFAOYSA-N 316.364 -0.989 50 20 DBGD C#CCCCC(=O)NNC(=O)C1CCN(S(C)(=O)=O)CC1 1333528201 NIIUWPOERHFOQJ-UHFFFAOYSA-N 315.395 -0.391 50 20 DBGD CC(C)c1noc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1335419375 SJKBSNHKNRAXGX-QMMMGPOBSA-N 309.326 -0.448 50 20 DBGD O=C(NNC(=O)c1cnc2cccnn12)C(=O)N1CCCC1 1346171874 NDWOBKHNTXZDJN-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC1(O)CNC1 1576295722 SXEMZPACDBIPNN-SECBINFHSA-N 311.313 -0.535 50 20 DBGD C[C@@H]1[C@H](Cl)[C@@H]1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1594188715 VVZYYWYSSDBTHN-UBVHSMIISA-N 315.757 -0.061 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(C(=O)O)c1 1600441500 FERDEDTVSLRIFP-UHFFFAOYSA-N 322.321 -0.659 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCc2ccc(C(=O)O)cc2)nn1 1600931593 AKBHWUBRWSSPGF-UHFFFAOYSA-N 317.305 -0.093 50 20 DBGD O=C([C@H](O)CCl)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1841351518 SIYNCIWWWDFTLG-OUAUKWLOSA-N 316.785 -0.440 50 20 DBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847868995 JXGZFBSQAMJTEI-BJDJZHNGSA-N 316.833 -0.118 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 139143448 HZTFTRNLJCEDJC-UHFFFAOYSA-N 319.321 -0.192 50 20 DBGD CC(=O)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 171292410 MJWCDLGAVJBGLZ-UHFFFAOYSA-N 303.116 -0.326 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccccc1)[C@@H]1CCNC1=O 281983622 WLCOPJYQOPZCRM-GFCCVEGCSA-N 304.350 -0.342 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H](O)c1cnn(C)c1 292699498 NNLDQEQBKFJMDL-AWEZNQCLSA-N 318.333 -0.148 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)C(=O)NC1CC1 365370180 AYGFAPLEPUALTD-NSHDSACASA-N 307.281 -0.445 50 20 DBGD CN1CCC(CCNC(=O)c2cc(B(O)O)ccc2F)CC1 584936032 CPDCXMDNVSODBE-UHFFFAOYSA-N 308.162 -0.033 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)N1CCCCC1 584942799 DUOATPWSLURHOO-JTQLQIEISA-N 322.145 -0.364 50 20 DBGD CN(CC(=O)N1CCCC1)C(=O)c1cc(B(O)O)ccc1F 585009578 YNTNEYCNSSYYKF-UHFFFAOYSA-N 308.118 -0.800 50 20 DBGD CN1CCN(c2ccncc2NCc2ccc(B(O)O)o2)CC1 585032355 TYUPAKQDXLVGBM-UHFFFAOYSA-N 316.170 -0.282 50 20 DBGD OB(O)c1ccc(CNC2CCN(c3cccnn3)CC2)cc1 585037564 BZXPYFSITNTIET-UHFFFAOYSA-N 312.182 -0.085 50 20 DBGD COc1ccc([C@H]2[C@H](C(=O)NCB(O)O)CC(=O)N2C)cc1 585059451 OCQSWPNDYSEOAD-YPMHNXCESA-N 306.127 -0.657 50 20 DBGD O=C(NNC(=O)[C@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 728381976 SKAVQNFUIBKWON-PHDIDXHHSA-N 315.178 -0.238 50 20 DBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)Cc1cccnc1 728849917 BOLGQNOHAXBNEV-UHFFFAOYSA-N 318.293 -0.034 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 732084279 VODHOGGDNKXYIL-UHFFFAOYSA-N 314.367 -0.163 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)C[C@H]2CCCCO2)cn1 740812008 MTVCUHCSNHLTPL-SNVBAGLBSA-N 302.356 -0.447 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)N[C@H]1CCCCNC1=O 747439578 DRFBYQMMUQTMBT-NSHDSACASA-N 305.338 -0.377 50 20 DBGD CCNC(=O)C1(CNC(=O)NNC(=O)c2cnn(C)c2)CCC1 753309688 HDHAXITVYJBRKX-UHFFFAOYSA-N 322.369 -0.330 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C[C@@H](C)N(C2CC2)C1 753959951 NEYLUUMVJKBRBK-BDAKNGLRSA-N 302.400 -0.347 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)S(C)(=O)=O 754111815 WSKQUTYMWHGNCA-SECBINFHSA-N 324.362 -0.065 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 764421219 HNNHQDOEFPQNNV-UHFFFAOYSA-N 320.330 -0.112 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H](S(C)(=O)=O)C1 770000359 CAFZAYAPHRYBHH-WDEREUQCSA-N 319.427 -0.169 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 770742884 YNXDQTKZTZSOHK-UHFFFAOYSA-N 316.277 -0.481 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)c(F)c1 771927583 KCDSWRGNIFYGPN-UHFFFAOYSA-N 323.280 -0.348 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C(=O)OC)n1 772025455 XOVXEBRVTPKTOS-MRVPVSSYSA-N 323.305 -0.029 50 20 DBGD COCc1nc(C(=O)NNC(=O)COc2ccccc2O)no1 775390692 RLTGDESVPSWXIW-UHFFFAOYSA-N 322.277 -0.238 50 20 DBGD C[C@@H]1CC(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777712515 BUUJZXQOAXNOEQ-SECBINFHSA-N 310.379 -0.281 50 20 DBGD CC(=O)[C@H]1CC(C(=O)NNC(=O)CO)=NN1c1ccccc1 777781777 GHEDHOPPMPYDDG-GFCCVEGCSA-N 304.306 -0.650 50 20 DBGD C[C@@H]1CN(C)C(=O)CN1CC(=O)NNC(=O)c1cccs1 782594009 WMABLBKWNHSNML-SECBINFHSA-N 310.379 -0.328 50 20 DBGD Cn1ncc(C(=O)OCC(=O)NNC(=O)c2cccs2)n1 792532916 CRIFYEANNQJDPN-UHFFFAOYSA-N 309.307 -0.505 50 20 DBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)OC)c1=O 792606525 HUBJMPSLWMIXOX-UHFFFAOYSA-N 320.305 -0.430 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)NC1CCCC1 825815089 XRBVAJGZJAIDCC-MWLCHTKSSA-N 312.370 -0.199 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 826045957 FFRGCVUSDXTQSB-SRVKXCTJSA-N 314.386 -0.538 50 20 DBGD C=CCn1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 826992793 FJKTWYSBFKBDLX-GXSJLCMTSA-N 308.342 -0.281 50 20 DBGD O=C(C[C@H]1COCCN1)NNc1nc(-c2ccncc2)no1 828217768 MTSBOCJTXJCKLR-JTQLQIEISA-N 304.310 -0.047 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(-n2cncn2)c1 843645323 MRYBCFKDTVYYFC-GXSJLCMTSA-N 316.321 -0.152 50 20 DBGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)[C@H]1CCCCO1 844664838 XBGZFFCYBWBPIJ-GARJFASQSA-N 303.384 -0.095 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)CCOc1ccccc1 845548211 FDCUYNPOZFLFDP-UHFFFAOYSA-N 324.337 -0.146 50 20 DBGD CNC(=O)C1(C(=O)NN(C)C(=S)NCCCOC)CC1 854281427 URQPYBDNGUBGRI-UHFFFAOYSA-N 302.400 -0.613 50 20 DBGD COc1cccc([C@@H](O)C(=O)NNC(=O)N2CCN(C)CC2)c1 854378774 BKCSHVBJAQENIS-CYBMUJFWSA-N 322.365 -0.283 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)n1 856422965 IZEPBUMKQJCUDC-ZETCQYMHSA-N 303.315 -0.338 50 20 DBGD C[C@@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@@H]1Br 857734587 UKBOVFHSYUYFAR-VGIXGZPDSA-N 304.144 -0.126 50 20 DBGD CC(C)(C)C[C@@H](O)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696020 HKBIKSFNRUBFHX-BDAKNGLRSA-N 300.359 -0.608 50 20 DBGD C[C@H](NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(F)(F)F 862320000 CWSFXEYSMLTEBJ-BQBZGAKWSA-N 318.321 -0.527 50 20 DBGD CC(C)(C)OC(=O)[C@@](C)(O)CNCc1cccc(B(O)O)c1 863891538 SEJQNGQPZGVKFQ-HNNXBMFYSA-N 309.171 -0.451 50 20 DBGD CCOC(=O)[C@@H]1CSCN1C(=O)c1ccc(B(O)O)cc1 907904223 FELOQYVDGFZAPH-NSHDSACASA-N 309.152 -0.555 50 20 DBGD CS(=O)(=O)CCCC(=O)NNC(=O)NCC(F)(F)F 1256497631 YRCPYJYYBHARCG-UHFFFAOYSA-N 305.278 -0.296 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)OCC(F)(F)F)CC1 1261754651 HMRIZYPLRRLOMZ-UHFFFAOYSA-N 304.246 -0.117 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)Cc1cc[nH]n1 1318332733 AYTMVKPHDLKGMT-ZETCQYMHSA-N 309.355 -0.591 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1325966224 XCOUQAFSJARAPF-IWSPIJDZSA-N 307.372 -0.825 50 20 DBGD C[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 1326899474 DZFDDZZRMHFOPB-GHMZBOCLSA-N 312.370 -0.388 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC1(O)CCOCC1 1329254899 VVMUHSDALGYWCU-QWRGUYRKSA-N 315.370 -0.327 50 20 DBGD CN(C)N(C(=O)[C@H]1CCCNC1=O)[C@@H]1CCS(=O)(=O)C1 1332138913 YJLIOSGFLPSCKE-ZJUUUORDSA-N 303.384 -0.995 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)n2nc(C)cc2n1 1337503248 OKLMDWUXHHHBDC-UHFFFAOYSA-N 316.321 -0.614 50 20 DBGD CCc1nn(C)c(Cl)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1348478598 MMVVXDQDIRZTSA-SSDOTTSWSA-N 313.745 -0.325 50 20 DBGD Cc1noc(Cl)c1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351628691 SRBLGXRXKLNFJV-ZETCQYMHSA-N 300.702 -0.395 50 20 DBGD COCCN(C)NC(=O)CNCCNC(=O)OC(C)(C)C 1579020438 CCQWHGNDXOYURA-UHFFFAOYSA-N 304.391 -0.290 50 20 DBGD CC(=O)NCc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1589146224 YTUFYSOHROSMEN-UHFFFAOYSA-N 308.294 -0.762 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)CC1 1598606390 CJYWSKZJXZCILP-GHMZBOCLSA-N 312.370 -0.134 50 20 DBGD C=C[C@H](NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC 1602802746 AXLFXODYYGHFEG-JTQLQIEISA-N 302.294 -0.171 50 20 DBGD CC(C)c1ccc(NC(=O)C(=O)NNC(=O)CO)c(C(=O)O)c1 1609719279 AGKXFSSBLFXKPB-UHFFFAOYSA-N 323.305 -0.414 50 20 DBGD COCCOCCNC(=O)NNC(=O)Cn1nc(C)cc1C 47050238 CUULDNGPLJHWNZ-UHFFFAOYSA-N 313.358 -0.507 50 20 DBGD O=C(NCCNC(=O)c1cccnc1)NNC(=O)C1CCC1 264715753 FHRBVLZCDOEOMM-UHFFFAOYSA-N 305.338 -0.058 50 20 DBGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(C(N)=O)nn1 268300196 WQANNBWYYVKCJT-UWVGGRQHSA-N 323.353 -0.007 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)C2(NC(N)=O)CC2)cc1 270910449 HFWGGNPKRGXQRP-UHFFFAOYSA-N 306.322 -0.278 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)n1nnnc1C(C)(C)C 273411864 MYQXQAIKVAVUJD-QMMMGPOBSA-N 320.357 -0.274 50 20 DBGD COc1cccc(C[C@@H](C(=O)NNC(C)=O)n2nnnc2C)c1 274159948 FDKRWONECWVEBU-ZDUSSCGKSA-N 318.337 -0.059 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1=CCCCCC1 290234237 LEMPVJUFTAMCGV-SECBINFHSA-N 303.384 -0.038 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 298202593 UYWDJFMXJSMAFH-HNNXBMFYSA-N 318.333 -0.071 50 20 DBGD C[C@H]1[C@@H](C(=O)NNC(=O)CO)CCN1C(=O)OC(C)(C)C 492696157 MIYLJMZOBCOCNC-IUCAKERBSA-N 301.343 -0.228 50 20 DBGD CNC(=O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584945218 HPNYPPAZOAORGU-VIFPVBQESA-N 308.118 -0.896 50 20 DBGD C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cc(B(O)O)ccc1F 584945718 SFDQHNSPHHOVKN-QMMMGPOBSA-N 317.147 -0.989 50 20 DBGD CCc1nn(C)cc1CNC(=O)c1cc(B(O)O)ccc1F 584969730 IIOCSOSPXSJKNS-UHFFFAOYSA-N 305.118 -0.269 50 20 DBGD CN1CC[C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@@H]2C1 584972498 YPEKBUPLHGKAFT-IINYFYTJSA-N 306.146 -0.328 50 20 DBGD CNC(=O)C1CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584977505 XZEPIXAQKKZKEA-UHFFFAOYSA-N 322.145 -0.460 50 20 DBGD CC(C)OC[C@H](CO)N(C)C(=O)c1cc(B(O)O)ccc1F 584984229 YSNSEISBYCXINH-NSHDSACASA-N 313.134 -0.637 50 20 DBGD O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](B(O)O)C1 585069089 KNSXTILTGUNSEU-LLVKDONJSA-N 315.138 -0.138 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H]1C 739913915 TZWNETYPUADTNU-GHMZBOCLSA-N 319.427 -0.313 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)NC1CCCC1 749599384 OPSLHNBDYPJZCK-UHFFFAOYSA-N 313.402 -0.284 50 20 DBGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)COC 764303842 PKQKORSLENVJER-UHFFFAOYSA-N 323.280 -0.430 50 20 DBGD CNC(=O)CCCNC(=O)NNc1ccc(-n2ccnc2)nn1 805182908 WVXWMTUUUBNQTH-UHFFFAOYSA-N 318.341 -0.185 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 806771048 JZIHYPSJOIXMEF-SSDOTTSWSA-N 310.276 -0.751 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 823988187 DUQCUUJLCIKSTL-YFKPBYRVSA-N 324.732 -0.117 50 20 DBGD COC(=O)C[C@H](N)C(=O)NNc1nc(-c2cccnc2)no1 831890633 OUOPENQGHAJFJB-QMMMGPOBSA-N 306.282 -0.535 50 20 DBGD Cc1nn(CC(=O)NNC(=O)Cc2ccccc2F)c(=O)n1C 846865198 QGGOBQVRYOHQPB-UHFFFAOYSA-N 321.312 -0.581 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(C(N)=O)o1 853930781 UXICBLXJTBKJFS-IVGLGHLBSA-N 323.305 -0.119 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@@H]1CCC(=O)N1C 854285342 BHUYPAGEQBKNLH-JTQLQIEISA-N 316.427 -0.129 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)Cn1cncn1 855828887 BBCWAAYLUBQGSR-UHFFFAOYSA-N 310.358 -0.632 50 20 DBGD CSc1cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 858341727 LJCIAOZPNRPEKA-VIFPVBQESA-N 323.378 -0.088 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CC(=O)N(C)C1=O 860128846 SIBHWSHLOUWMGS-UHFFFAOYSA-N 318.333 -0.421 50 20 DBGD C#CCCOc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 863466669 ZXDYTMJABCKRMQ-UHFFFAOYSA-N 324.358 -0.106 50 20 DBGD CN(CCNC(=O)c1ccc(B(O)O)cc1)C(=O)OC(C)(C)C 863872037 KJFUMDIHOQZBIO-UHFFFAOYSA-N 322.170 -0.037 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 863873447 CTEHWSJDQLHGDH-HUUCEWRRSA-N 318.182 -0.962 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 863903412 GHXXGEMCCQBZQA-SSDOTTSWSA-N 313.260 -0.543 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCOc1ccc(F)c(F)c1 1116186515 CLWWBDWXRSGWET-UHFFFAOYSA-N 317.248 -0.153 50 20 DBGD CC(=O)Nc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118943490 OQWXHSRXDDMIRA-LBPRGKRZSA-N 318.333 -0.387 50 20 DBGD CNC(=O)c1cccc(C(=O)NNc2nccn(C)c2=O)c1 1323509363 ZRJYXKZFJCXHLJ-UHFFFAOYSA-N 301.306 -0.103 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1nc(C)no1 1323526766 PTEZNQBLUBAWGO-HTQZYQBOSA-N 315.330 -0.179 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2cnnn2C)cc1 1326343743 QBHKHWQYAITRDJ-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD NC(=O)CC1(CNC(=O)NNC(=O)c2cccc(F)n2)CC1 1329914301 YLDRVKZKGRGTMG-UHFFFAOYSA-N 309.301 -0.180 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc2c(c1)OCCCO2 1330489354 NWDBFHXGNIESEG-UHFFFAOYSA-N 323.305 -0.149 50 20 DBGD CCn1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1333323059 SLACHWCAAOUZMC-DTWKUNHWSA-N 309.326 -0.586 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](NC=O)C(C)C 1348098883 NMYVQEOZNTWJAV-JTQLQIEISA-N 304.416 -0.369 50 20 DBGD O=C(Cn1ccc(C(=O)O)n1)NNC(=S)NCC1CCC1 1601384745 PDGJWGAGGHAOCR-UHFFFAOYSA-N 311.367 -0.123 50 20 DBGD O=C(O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(B(O)O)ccc1F)C2 1601786359 GRSCLZKLZYTZDR-YDEJPDAXSA-N 321.113 -0.169 50 20 DBGD C[C@H](NC(=S)NNC(=O)c1cn(CC(=O)O)nn1)C1CC1 1603243705 VWUDONSKMARFQX-LURJTMIESA-N 312.355 -0.730 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)Cn2cnnn2)o1 1603407028 JWIDNPXJXQRURH-UHFFFAOYSA-N 319.289 -0.892 50 20 DBGD O=C(CN1CCCC1=O)NN=Cc1cccc(-c2nn[nH]n2)c1 1606545784 MBBCMPDFWQVKPD-UHFFFAOYSA-N 313.321 -0.061 50 20 DBGD NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563487 OKMSUFCKQNLBLR-LPEHRKFASA-N 317.773 -0.947 50 20 DBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1O 264550645 OYBKZPIICVJTHE-BDAKNGLRSA-N 308.290 -0.273 50 20 DBGD O=C(CCN1CCOC1=O)NNC(=O)COc1ccccc1O 491256008 OLRMUALBOUMFLB-UHFFFAOYSA-N 323.305 -0.239 50 20 DBGD CCCN(C)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 730096380 QSMBRESMYDXTED-UHFFFAOYSA-N 317.353 -0.235 50 20 DBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)NC)CC1=O 733138651 HSCXLEJWKRJYAV-QWRGUYRKSA-N 311.386 -0.721 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccccc2S(C)(=O)=O)cn1 735446179 BRWUBEIUROUDEY-UHFFFAOYSA-N 322.346 -0.102 50 20 DBGD Cn1nccc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 748619793 TZYVBJTVJNOAAI-UHFFFAOYSA-N 322.346 -0.102 50 20 DBGD O=C(CO)NNC(=O)c1cccn(Cc2ccccc2)c1=O 753452297 ORSKPNCXKAVFHT-UHFFFAOYSA-N 301.302 -0.350 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)NCC1CC1 770893283 NHSXKXCMKLPALZ-SECBINFHSA-N 320.415 -0.309 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 771837548 FAALXGBGXCJEDZ-JTQLQIEISA-N 306.278 -0.166 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802097385 LEYLGDWPSFTVFU-LURJTMIESA-N 309.282 -0.375 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1nccnc1C1CCC1)C(N)=O 805464624 BSCXNLOPNJAOFU-JTQLQIEISA-N 320.353 -0.433 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(CO)c1 814835626 WYOIQIBEMPIOAK-SNVBAGLBSA-N 313.379 -0.043 50 20 DBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 819849274 YLQOTQGTQMOMIF-ZDUSSCGKSA-N 319.277 -0.828 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cs2)cn1 822669806 QJKVWAQTSIMGGM-UHFFFAOYSA-N 318.322 -0.264 50 20 DBGD CCN(CCO)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 823852772 PAQWWHAPUQMTCH-NSHDSACASA-N 307.416 -0.607 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826322152 AMGNDTAUBJKBDR-UHFFFAOYSA-N 301.270 -0.699 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(O)n1 832675077 KSOIGNZKMYPCAV-IUCAKERBSA-N 322.321 -0.393 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843647729 NNABYTHMLJQQCM-APPZFPTMSA-N 311.298 -0.328 50 20 DBGD COc1cccc(NNC(=O)Cn2nc3n(c2=O)CCCC3)n1 845927893 IOVAZKXTYWJBSQ-UHFFFAOYSA-N 318.337 -0.072 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCNC1=O 854193746 HJPVVSQYSGPDEJ-JTQLQIEISA-N 321.333 -0.252 50 20 DBGD O=C(NNC(=O)c1cccnc1N1CCOCC1)c1cc[nH]n1 855359086 DZXRBWRKLHIIRE-UHFFFAOYSA-N 316.321 -0.284 50 20 DBGD COCc1cccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858151549 JHMFTGIZRAPEDV-LBPRGKRZSA-N 320.349 -0.058 50 20 DBGD Cc1cccc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 858408135 MVFSEGIDNBMTPW-LLVKDONJSA-N 305.338 -0.458 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCCSC2)N1 858459071 QDKBAOSQUUEUJJ-RKDXNWHRSA-N 300.384 -0.261 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 862452414 KOXZOTSFLZGHCD-SNVBAGLBSA-N 308.313 -0.069 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1cccc(C)n1 862523351 ZJHYGMCLPXMUHB-LBPRGKRZSA-N 319.365 -0.040 50 20 DBGD CC(=O)N1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)Oc2ccccc21 864232565 AGNHOGQMOYLAGU-FZMZJTMJSA-N 318.138 -0.124 50 20 DBGD CC(C)(CCl)CS(=O)(=O)NC[C@@H](O)Cn1ccnn1 867385337 DSDLQBZMUAZEHO-SECBINFHSA-N 310.807 -0.177 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2nc[nH]n2)C[C@@H](C)O1 1116242679 YXQNMKIQOPJSQY-PHIMTYICSA-N 324.385 -0.616 50 20 DBGD COCCOCC(=O)NNC(=O)CCn1c(C)csc1=O 1261881188 YRRAFAMBURENFC-UHFFFAOYSA-N 317.367 -0.581 50 20 DBGD O=C(NC[C@@H]1CCCCS1(=O)=O)NNC(=O)c1ccc[nH]1 1320365962 VXNNKPQGKMVRKL-VIFPVBQESA-N 314.367 -0.074 50 20 DBGD COC1(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCOCC1 1321134776 JGGJVYJNNSRZIL-SNVBAGLBSA-N 319.383 -0.346 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 1323318473 JMAWCWLJFOJFDS-NXEZZACHSA-N 324.337 -0.093 50 20 DBGD COc1ccc(C(=O)NNc2ccccc2S(N)(=O)=O)nn1 1324864745 PTENNVIVXLADPV-UHFFFAOYSA-N 323.334 -0.111 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1OC 1329004443 SHEYHJANUJNTNQ-UHFFFAOYSA-N 322.321 -0.449 50 20 DBGD Cc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1S(N)(=O)=O 1331897785 ZGVKOZKAVFBETI-SNVBAGLBSA-N 312.156 -0.669 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@H]2CCC(=O)N2)cn1 1332384115 NPFRTYBVPGWXFO-MRVPVSSYSA-N 309.351 -0.314 50 20 DBGD COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591279783 WAGAUOBILIORKL-JGVFFNPUSA-N 303.282 -0.486 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1 1594164420 WBFKYXOUJPLTKM-VIFPVBQESA-N 306.340 -0.931 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](c1ccccc1)N(C)C 195458955 UULXBDMAGCJCSL-GFCCVEGCSA-N 306.366 -0.039 50 20 DBGD CN(CCS(C)(=O)=O)CC(=O)NNC(=O)c1ccccc1 263978860 ZKVCVTLMLCQTFE-UHFFFAOYSA-N 313.379 -0.576 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@H](C)S(C)(=O)=O)cc1 263981824 BOQDEAMCGJAAOG-JTQLQIEISA-N 313.379 -0.013 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 270520433 RINOOKJKDXUNPP-QMMMGPOBSA-N 323.305 -0.037 50 20 DBGD COc1ccc(C(=O)NCC(=O)NN(C)C(N)=O)cc1OC 271364191 OACOMBXHCGQDPF-UHFFFAOYSA-N 310.310 -0.525 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F)[nH]n1 277331028 MGGZIDIJTOJFOH-UHFFFAOYSA-N 321.259 -0.064 50 20 DBGD Cc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 278555003 HUFXAFHJYSJMBF-SECBINFHSA-N 312.347 -0.104 50 20 DBGD COC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 298308833 PUHRTYKSCWWLAP-UHFFFAOYSA-N 319.314 -0.119 50 20 DBGD O=C(NNC(=O)[C@H]1OCCc2ccccc21)C(=O)NC1CC1 362781999 QJCTYVDMALVAFS-LBPRGKRZSA-N 303.318 -0.274 50 20 DBGD CCN1CCOC[C@H]1C(=O)NNc1cc(Cl)nc(N)n1 363867982 QVZOZAHILHGJIU-ZETCQYMHSA-N 300.750 -0.124 50 20 DBGD O=C(/C=C/c1ccc(O)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 492614586 QFGUOIXNDBWYIS-GQOHGMTASA-N 324.358 -0.013 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)Nc1cccc(B(O)O)c1 584912149 PJRJCFBPRWJSKZ-UHFFFAOYSA-N 300.127 -0.447 50 20 DBGD CCC(=O)N[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584938332 YMWUZGKKPFJZLJ-LLVKDONJSA-N 322.145 -0.364 50 20 DBGD Cc1noc(CCCNC(=O)c2cc(B(O)O)ccc2F)n1 584938587 BTIVEQAOUWCTCL-UHFFFAOYSA-N 307.090 -0.440 50 20 DBGD CCN1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)C1=O 584973257 FEIISVBDJDDYHC-SECBINFHSA-N 308.118 -0.802 50 20 DBGD CC(=O)N[C@@H](C)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584974961 CLFPYHQCFPRPJK-NSHDSACASA-N 318.182 -0.257 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@@]2(CCCOC2)C1 584988087 CUFKWPDGRXBZKS-HNNXBMFYSA-N 323.129 -0.473 50 20 DBGD O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc(B(O)O)ccc1F 585002521 XQELMYICHGIBGB-MNOVXSKESA-N 317.072 -0.216 50 20 DBGD OCCCN1CCC[C@@H]1CNCc1ccc(B(O)O)cc1F 585043899 VKKDLUGSDGJRIL-CQSZACIVSA-N 310.178 -0.558 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](N2CCNC2=O)C1 732198614 ZAYALCYCCTUNFJ-QWRGUYRKSA-N 311.386 -0.578 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 749837374 FDGAKNKBOWGEOV-UHFFFAOYSA-N 319.383 -0.984 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc2[nH]ccc12 758047332 MCAGGLGXFKOIFT-MRVPVSSYSA-N 324.362 -0.133 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)CC(C)C 758163455 QOWADWMFYAKMRM-UHFFFAOYSA-N 309.388 -0.864 50 20 DBGD O=C(NN=C1CCN2CCC[C@@H]12)N[C@H]1CCS(=O)(=O)C1 765573180 XKIMRGNQNYDYAV-ONGXEEELSA-N 300.384 -0.303 50 20 DBGD CC(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770210037 YEIWPXGOPZMDKT-UHFFFAOYSA-N 314.367 -0.251 50 20 DBGD CCOC(=O)CN(CC(N)=O)S(=O)(=O)CCCCCl 780731403 DZXDTASCIJPBJT-UHFFFAOYSA-N 314.791 -0.314 50 20 DBGD O=C(CN1CCOC[C@@H]1[C@@H]1CCCC1=O)NNC(=O)C1CC1 784356656 RIXVDFZYPOQRGM-NWDGAFQWSA-N 309.366 -0.386 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(F)cc2nn[nH]c12 800485826 PKZDLXKTFZAVAQ-UHFFFAOYSA-N 303.257 -0.176 50 20 DBGD Cn1cncc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 809605794 NYZGLPXEMOLATE-UHFFFAOYSA-N 322.346 -0.102 50 20 DBGD COC(=O)Cc1occc1C(=O)NNC(=O)c1cnn(C)c1 810417919 QQNPTHBZEGNLKL-UHFFFAOYSA-N 306.278 -0.197 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)N2CCO[C@@H](C(=O)O)C2)c1 819106393 NYKRXKLAGSQCNS-LLVKDONJSA-N 318.289 -0.302 50 20 DBGD C[C@H](CO)N(C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 823993134 LQQDXQVMYYBPPR-WOPDTQHZSA-N 311.382 -0.105 50 20 DBGD CC(C)N1CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 827269169 VQGFGCURNPVVOH-QWRGUYRKSA-N 312.370 -0.295 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843650921 IROSQSUINMYOTM-DTWKUNHWSA-N 304.368 -0.145 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cc2nc(C3CC3)nn2C)CC1 844137073 LZYYKDGYSOERFW-UHFFFAOYSA-N 321.385 -0.777 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 845084023 FWBCHAPDFHFDDJ-VIFPVBQESA-N 312.301 -0.885 50 20 DBGD C[C@H](CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)NC(N)=O 847280653 CJCSRHTYDZRUCH-SSDOTTSWSA-N 309.282 -0.197 50 20 DBGD COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)CCl)C1 849389170 FTXGSUMPRBJDCB-NXEZZACHSA-N 301.792 -0.142 50 20 DBGD NC(=O)c1ccc(NNC(=O)Cn2cc(C3CC3)cn2)nn1 857150666 UCRLMYJIRKJNGZ-UHFFFAOYSA-N 301.310 -0.207 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ncccn2)CCCC1 857290863 NQLFDVJXTAXERP-UHFFFAOYSA-N 312.351 -0.405 50 20 DBGD Cc1cc(C)n(CCCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 858693502 PUGPUUOGLBARLI-LLVKDONJSA-N 322.369 -0.501 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 859252421 OBJSAZMIKVUDLS-OAHLLOKOSA-N 319.365 -0.204 50 20 DBGD CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1=O 862453019 QQYYXXJYDKFNSW-AXFHLTTASA-N 324.381 -0.551 50 20 DBGD COC(=O)[C@@]1(C)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 863886402 YNFZDIKSLDNQNJ-HNNXBMFYSA-N 323.129 -0.079 50 20 DBGD O=C(CN1C[C@@H]2CNC[C@H]2C1)NNC(=O)c1ccc(F)cc1 917198705 KBKVDEQGICMECH-RYUDHWBXSA-N 306.341 -0.262 50 20 DBGD CNC(=O)CCCNC(=O)NNC(=O)Cn1nc(C)cc1C 918234593 AIXBEFCNRQHBBJ-UHFFFAOYSA-N 310.358 -0.643 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc2n(n1)CCCC2 1118955114 WKUZIDCVQDGKJK-UHFFFAOYSA-N 300.340 -0.975 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN1CCC(CO)CC1)C1CC1 1120753473 QWIXSHGMYLNBTI-JTQLQIEISA-N 314.455 -0.016 50 20 DBGD COc1ccc(NNC(=O)c2cn(CC(=O)N(C)C)nn2)nc1 1320655544 XQXJMFCYEIYLKS-UHFFFAOYSA-N 319.325 -0.473 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccccc1OCCC(N)=O 1323927503 QHWARWXNBUHAOW-UHFFFAOYSA-N 322.321 -0.563 50 20 DBGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ncn(C)n2)cc1 1327825677 DUVHBBAVQDEFBJ-UHFFFAOYSA-N 316.321 -0.223 50 20 DBGD N#Cc1cccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1331272646 RPXPEIMBGUKJRR-LLVKDONJSA-N 301.306 -0.333 50 20 DBGD CN(C)[C@H](C(=O)NNC(=O)C1CCOCC1)c1cncn1C 1335190862 VVGMVUIBBPAQIH-LBPRGKRZSA-N 309.370 -0.403 50 20 DBGD O=C(NNc1nc2ccccn2n1)[C@]1(F)CNCC12COC2 1580743112 QLGKURRQALXTAI-CYBMUJFWSA-N 306.301 -0.500 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)C(C)(C)C(=O)O)C[C@@H](C)O1 1589394892 CTPGOVDOQVMICV-AOOOYVTPSA-N 315.370 -0.256 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNC(=O)c1cc[nH]n1 1592911203 JBNDDZXEEZHRAG-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD O=C1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCN1 1593388169 KQTYNSDENUSXML-QMMMGPOBSA-N 316.325 -0.379 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)nc2)ccc1=O 1594530249 HQWKAZILEZWWNH-UHFFFAOYSA-N 316.273 -0.447 50 20 DBGD O=C(O)Cc1ccccc1NC(=O)NNC(=O)[C@H]1COCCO1 1595136567 OALLXJCIUTUVQO-LLVKDONJSA-N 323.305 -0.118 50 20 DBGD CN1CCCc2cc(CNC(=O)NNC(=O)C(=O)O)ccc21 1598602428 CKWBFGVMMVHPCX-UHFFFAOYSA-N 306.322 -0.016 50 20 DBGD O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(B(O)O)ccc1F 1608616639 XMURHSYSBBWQKH-UBHAPETDSA-N 307.086 -0.417 50 20 DBGD COC(OC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847560432 YDYFVVZXWQHKLV-LPEHRKFASA-N 320.773 -0.593 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)Cn2ncn(C)c2=O)cc1 179706669 ZJSYDXFPKLYPKN-UHFFFAOYSA-N 318.337 -0.850 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)cn1 292165882 WSKYPBHOUGTSIU-VIFPVBQESA-N 301.324 -0.421 50 20 DBGD CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NNC(=O)C(C)(C)O)C1 295312738 VVJRZSQUMIOCQU-QMMMGPOBSA-N 315.326 -0.609 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NCc2nnn(C)n2)cc(C#N)n1C 491176485 PVQHNCPECCEMHC-NYYWCZLTSA-N 310.321 -0.048 50 20 DBGD COc1ccc(CCC(=O)NNC(=S)NCC(N)=O)cc1 727081047 QBBVRLYVKPTJBD-UHFFFAOYSA-N 310.379 -0.392 50 20 DBGD NC(=O)c1ccc(OCC(=O)NNC(=O)Cc2cc[nH]n2)cc1 730090910 RHGOTDGGFMZBHH-UHFFFAOYSA-N 317.305 -0.723 50 20 DBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 744385983 UILHXNUHKFOKPF-SNVBAGLBSA-N 319.427 -0.311 50 20 DBGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)NC 746160002 TYUKSOWPBTVGIJ-SSDOTTSWSA-N 313.318 -0.213 50 20 DBGD CC(C)CC(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C 747906163 CZEMQQZDJKMAER-UHFFFAOYSA-N 323.415 -0.476 50 20 DBGD CCc1noc(CC)c1CC(=O)NNC(=O)C(=O)NC1CC1 755061210 FBXZMPWZWZBWHV-UHFFFAOYSA-N 308.338 -0.232 50 20 DBGD COCC(=O)NNC(=O)Nc1cccnc1N1CCOCC1 756184171 UGLBHOBRIPYSRI-UHFFFAOYSA-N 309.326 -0.283 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cccnc1-n1cncn1 756292036 OHYOUBILQGXOPP-UHFFFAOYSA-N 305.298 -0.149 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 757864465 ZAHRYSNNDGJZQT-UHFFFAOYSA-N 320.309 -0.630 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cnn(-c2ccccc2)n1 763561356 IJKHXZVNIIQNEF-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD CCN1C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1=O 770974411 LGNMGGUWVHADNT-SSDOTTSWSA-N 319.325 -0.620 50 20 DBGD C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)N1CCSCC1 773674813 UYEAICIHQKCVNP-NSHDSACASA-N 315.443 -0.588 50 20 DBGD CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)C(C)(C)O 787953802 MQHXQIMRIOLJNV-MRVPVSSYSA-N 317.411 -0.148 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCCNC(=O)C2CC2)CC1 788167220 YQYSSEJFMYPMLP-UHFFFAOYSA-N 311.386 -0.719 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccccc1 794575838 GYCFCTTWMVXBCA-OLZOCXBDSA-N 318.377 -0.048 50 20 DBGD C=CCNC(=S)NNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 798305314 MYZXZXLDNHXADV-SNVBAGLBSA-N 324.410 -0.416 50 20 DBGD COC(=O)COCC(=O)NNc1cccc(S(C)(=O)=O)c1 807195843 ANKLXCJGSXVLHP-UHFFFAOYSA-N 316.335 -0.277 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc(C#N)c1 825907606 ZQYWJCBPXPDAJL-VXGBXAGGSA-N 304.306 -0.084 50 20 DBGD Cn1nc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1O 831794414 LAUNCPWVKQGADN-UHFFFAOYSA-N 313.314 -0.589 50 20 DBGD CN(C)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 843779770 VHKGYDYWFZSTLM-UHFFFAOYSA-N 318.330 -0.594 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)NCc1ccco1 843973908 MJKVQKGUCAXYNZ-GXSJLCMTSA-N 324.337 -0.349 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CCn2ncn(C)c2=O)c(O)c1 848371266 QZWFKKGULWBFOS-UHFFFAOYSA-N 319.321 -0.553 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc3c(c2)CCO3)N1 858174991 ZGRZFWDCEFHRLO-LLVKDONJSA-N 318.333 -0.270 50 20 DBGD CN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CC(C)(C)OC1=O 863882673 OGNQNQAJWBIMMH-LLVKDONJSA-N 309.102 -0.328 50 20 DBGD CC(C)(CCl)CS(=O)(=O)NC[C@H](O)Cn1ccnn1 867385338 DSDLQBZMUAZEHO-VIFPVBQESA-N 310.807 -0.177 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1N(C)C 873804845 OYEGFTUSUFARBS-UHFFFAOYSA-N 312.301 -0.376 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@H]1COCCN1CC(F)F 887147075 WVCVMKQWNUVVII-SNVBAGLBSA-N 303.309 -0.097 50 20 DBGD C[C@@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C[C@@H]1Br 913366610 JOEJLLXJZUFPQI-JAGXHNFQSA-N 312.185 -0.566 50 20 DBGD CCOCCO[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 918147946 NJVFOXRCYIHURS-RYUDHWBXSA-N 322.427 -0.080 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(O)nn2)C[C@H](C)O1 1116038029 UZDVPESQLUDMAO-UWVGGRQHSA-N 323.353 -0.558 50 20 DBGD COC(=O)C(=O)NN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 1116191986 SMQDHDCLGUVUKK-LLVKDONJSA-N 309.297 -0.061 50 20 DBGD C[C@]1(NNC(=O)NOC[C@H]2CCOC2)CCS(=O)(=O)C1 1116749892 RPQISMSGMZJEGR-ONGXEEELSA-N 307.372 -0.665 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1nccnc1C1CCC1 1117472449 YZTJCKGYFFQGPW-UHFFFAOYSA-N 304.310 -0.261 50 20 DBGD O=C(CCc1ccc2c(c1)CCO2)NNC(=O)[C@H]1CCC(=O)N1 1118944115 UHSHVJOVCAGROX-GFCCVEGCSA-N 317.345 -0.020 50 20 DBGD CN(C)C(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)cc1 1318348048 GNZSOKGDXPAXAM-UHFFFAOYSA-N 300.340 -0.821 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cn(C)nc1C(F)F 1324247907 SCGHQBCFZQCBHK-LURJTMIESA-N 323.325 -0.255 50 20 DBGD Cc1c(S(=O)(=O)NNC(=O)Cc2cccnc2)cnn1C 1327709548 ZHJJKORJMMKMET-UHFFFAOYSA-N 309.351 -0.324 50 20 DBGD COCCOCCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1328781986 ALDGJFMXYNESEK-SNVBAGLBSA-N 316.358 -0.961 50 20 DBGD O=C(CCCS(=O)(=O)N1CCCC1)N1CC[C@H](B(O)O)C1 1329293649 SXQSLZYDUPGPMK-NSHDSACASA-N 318.204 -0.733 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331881193 HAJKGNFVRVBYFI-KCJUWKMLSA-N 305.338 -0.734 50 20 DBGD COCCC[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1337365594 RTXIRGADMGOPGV-NXEZZACHSA-N 321.399 -0.433 50 20 DBGD C[C@@]1(Cn2nnnc2N2CCNC(=O)C2)C[C@H]1Br 1337714425 QINGNLJJPJBDKG-XCBNKYQSSA-N 315.175 -0.217 50 20 DBGD Cc1noc([C@H](C)N(C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1348123606 YZXWOXGSGLXLLV-POYBYMJQSA-N 310.314 -0.610 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(C#N)(C(=O)O)CC1 1594645942 UWMCNSLXCMCVES-NXEZZACHSA-N 324.337 -0.157 50 20 DBGD O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)[C@H]1COCCO1 1594779790 WPZWTXJFZMLAOH-RZGXBDKHSA-N 312.322 -0.560 50 20 DBGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1599769805 OVGXOEHLRSWCTL-UHFFFAOYSA-N 315.307 -0.995 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ncc(F)cc1F 1606623579 QQPPUPFREWPUAZ-UHFFFAOYSA-N 322.239 -0.725 50 20 DBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1 54233737 ZVUTTWDVJHDDMH-UHFFFAOYSA-N 321.358 -0.231 50 20 DBGD CCN1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1=O 273282105 LIJHTWVWAXZFMY-UHFFFAOYSA-N 305.338 -0.471 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1ncccc1F 285954276 LHVJRWGKOUJMFK-UHFFFAOYSA-N 320.346 -0.380 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 298319233 STGSELQMAQANRV-UHFFFAOYSA-N 315.307 -0.210 50 20 DBGD CC(=O)NNC(=O)c1cnn(C)c1I 306812213 YQACOFKTRCCVIA-UHFFFAOYSA-N 308.079 -0.194 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](n2cncn2)C1 584976671 KMOMXOSKSBCOPL-SNVBAGLBSA-N 304.090 -0.816 50 20 DBGD CC(C)[C@@H](CNCc1cccc(B(O)O)c1)N1CCOCC1 585014642 AGBYMCCDPXVLHP-MRXNPFEDSA-N 306.215 -0.187 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)cc2F)C[C@@H]2CCCCN12 585044782 UCYWLTLMZXTBBW-GXTWGEPZSA-N 306.146 -0.252 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 729283103 OGPGYLQCCVVPFN-GWCFXTLKSA-N 305.334 -0.075 50 20 DBGD NC(=O)C(=O)NN=Cc1ccc(OC(F)(F)C(=O)O)cc1 730722851 VATJYHGRJCEEQU-UHFFFAOYSA-N 301.205 -0.322 50 20 DBGD Cc1ncc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[nH]1 731890857 HFKKTHHGWMYKEW-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD COCCOC[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 745863825 JGXYAIMQDONLFG-PWSUYJOCSA-N 323.415 -0.581 50 20 DBGD CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 745935990 WPLGTVYADFKMGN-OTYXRUKQSA-N 312.370 -0.201 50 20 DBGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)N(C)C)o1 748641614 MUWUYBCTXOTHCL-UHFFFAOYSA-N 305.312 -0.079 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCN2C(=O)CNC2=O)o1 752373975 GJDIKAYLGHAHQK-UHFFFAOYSA-N 309.282 -0.916 50 20 DBGD CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1 753356263 WNFRLMYTPXZKPG-SNVBAGLBSA-N 318.399 -0.459 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2CCNC(=O)C2)c1 754453311 UXMHUBXBHRPIDK-JTQLQIEISA-N 320.349 -0.219 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1F 764326037 DQGDCAGCXBCQOP-UHFFFAOYSA-N 308.269 -0.180 50 20 DBGD C[C@H](CBr)COC(=O)c1cn(CC(N)=O)nn1 770389945 SZDWCGIHNVCVRD-ZCFIWIBFSA-N 305.132 -0.049 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc(F)ccc1N1CCOCC1 776133617 HPWZDBRGKORCJK-UHFFFAOYSA-N 324.356 -0.015 50 20 DBGD CCN(CC(=O)NNC(=O)c1cccs1)[C@@H]1CCNC1=O 799352100 CSWRDKQFRLKWTR-SECBINFHSA-N 310.379 -0.281 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)N=c2cc[nH]cc2)n1 802032547 VTZFOZJKPCOXAN-UHFFFAOYSA-N 319.325 -0.262 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1cccc(C#N)c1 813440367 NDKBDXOZEIDIGU-LBPRGKRZSA-N 318.333 -0.548 50 20 DBGD C[C@@]1(C(=O)NNC(=O)COCc2ccccc2)CCNC1=O 820151577 HPBMISFTADQZPX-OAHLLOKOSA-N 305.334 -0.123 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@](C)(C#N)CC(=O)O)nc21 821315598 ZPAZNOVVVQOMFE-LBPRGKRZSA-N 319.281 -0.483 50 20 DBGD O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)[C@H]1COCCO1 833102163 MUNNKKFALKVNHS-GFCCVEGCSA-N 322.317 -0.120 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CC(N3CC[C@@H](O)C3)C2)cn1 846511839 WLDXSNAXZBIJTO-MBNGJLNHSA-N 301.350 -0.396 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2SCCS2)N1 858622581 WFECRISTXNOROJ-LURJTMIESA-N 304.397 -0.599 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C12CCC2 858697535 SPPDRRQAQXJZBJ-OUAUKWLOSA-N 324.381 -0.057 50 20 DBGD CCn1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1=O 860500122 FJVPAQQVJIRLIO-VIFPVBQESA-N 307.310 -0.701 50 20 DBGD CCCc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n(C)n1 860868112 PZDSEXKBQSOJNM-SECBINFHSA-N 308.342 -0.196 50 20 DBGD CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450808 BJKSHUYZTDJOSU-ZJUUUORDSA-N 324.381 -0.551 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1cn[nH]c1 863413317 FLEIXRKNFGASBW-UHFFFAOYSA-N 304.328 -0.827 50 20 DBGD CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 863883675 JDUDINLBIKFRDX-GFCCVEGCSA-N 306.127 -0.721 50 20 DBGD CN1CCC(N2CC[C@H](NCc3cccc(B(O)O)c3)C2)CC1 877027502 OVCMUVNPYDFIFN-INIZCTEOSA-N 317.242 -0.376 50 20 DBGD COC(=O)[C@H]1CSCCN1CC(=O)NNC(=O)C(C)(C)C 887075410 DMUJYKYVWMBELR-SECBINFHSA-N 317.411 -0.230 50 20 DBGD O=C(NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)C(=O)N1CCCC1 906472022 RKOVYEPZVJASEI-JRKPZEMJSA-N 315.757 -0.315 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)c1ccc(OC)c(OC)c1 915915975 AXMISJLILCNVEV-UHFFFAOYSA-N 324.337 -0.216 50 20 DBGD C[C@@H](NS(=O)(=O)CBr)[C@@H]1CN(C)CCN1C 919990583 QMFIFADGYJYIGM-BDAKNGLRSA-N 314.249 -0.108 50 20 DBGD O=C(NNC(=O)C1CC1)c1ccc(CN2C(=O)CNC2=O)cc1 921159354 NVASDTACWRAOBA-UHFFFAOYSA-N 316.317 -0.091 50 20 DBGD CCc1ncc(NC(=O)C(=O)NNc2nccnc2OC)cn1 1116607733 HUOTYUJHGCHPHL-UHFFFAOYSA-N 317.309 -0.081 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 1318477994 GLRGDAVRQZSMKS-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cnn(C)c1 1319095335 QWVYTJALJQQBCV-MWLCHTKSSA-N 311.342 -0.442 50 20 DBGD COc1c(NC(=O)C(=O)NNC(=O)C2CC2)cccc1C(N)=O 1320224002 IACLVGGUBGDMHO-UHFFFAOYSA-N 320.305 -0.710 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1nc(-c2ccco2)cs1 1323005146 NCRFGHWTPYUGSP-UHFFFAOYSA-N 324.318 -0.129 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)C(=O)N1CCCC1 1323024532 KWCGSSPROCXHQP-VIFPVBQESA-N 305.338 -0.716 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nc2ncccn2n1 1326297833 DHLZUEMWKQOJME-DTWKUNHWSA-N 319.325 -0.620 50 20 DBGD O=C(NCCC1CCOCC1)NNC(=O)C(=O)N1CCCC1 1328388021 RICKCNXUIXTMIL-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1C 1329297723 DVZONKIFVMRIRS-WCBMZHEXSA-N 323.353 -0.507 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CC1)CNC(=O)N2C 1345672277 RNMYNWGCOUTBHQ-SNVBAGLBSA-N 311.386 -0.578 50 20 DBGD O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(B(O)O)cc1 1540586971 TZKLGFRXWCYXFL-UHFFFAOYSA-N 309.094 -0.201 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1[C@@H](N)[C@H]2C=C[C@H]1C2 1573464146 CCKPQMMHOCWFFD-QSFUFRPTSA-N 324.381 -0.192 50 20 DBGD CO[C@@H]1CNC[C@H]1NC(=O)NNC(=O)Cc1ccccc1F 1579120351 DCXUUKXQOXDNAS-VXGBXAGGSA-N 310.329 -0.315 50 20 DBGD O=C(NNc1nc2ccccn2n1)c1ccc(-c2nn[nH]n2)[nH]1 1606862034 PEAGCSIOVOLARM-UHFFFAOYSA-N 310.281 -0.006 50 20 DBGD CC[C@H](NC)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350474 DXUNULUEYDSZNY-WDEREUQCSA-N 317.817 -0.213 50 20 DBGD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1 1846387552 KQFOJBKQPVBQDP-ZETCQYMHSA-N 309.197 -0.721 50 20 DBGD CCOC(=O)NCCC(=O)NNC(=O)Cn1nc(C)cc1C 42467232 PJBJTRAXROSOSQ-UHFFFAOYSA-N 311.342 -0.216 50 20 DBGD CCOCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952964 ALCAITGOPAUKTE-VIFPVBQESA-N 307.372 -0.679 50 20 DBGD C[C@H](C(=O)NNC(=O)COCc1ccccc1)S(C)(=O)=O 265607669 JWIRJAODHKZCCW-SNVBAGLBSA-N 314.363 -0.216 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 276882127 RLKQVVFPSHAIIA-LBPRGKRZSA-N 321.337 -0.059 50 20 DBGD O=C(NCCN1CCCS1(=O)=O)NNc1ncncc1F 293074857 ULAJXUBQIKBASU-UHFFFAOYSA-N 318.334 -0.723 50 20 DBGD NC(=O)c1ccccc1NCC(=O)NNC(=O)[C@@H]1CCCO1 294615716 KEYZAWMNRPZTOL-NSHDSACASA-N 306.322 -0.476 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]2CCO[C@H]21 361169630 NUFPWZRDZHJLOA-HBNTYKKESA-N 324.381 -0.247 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](N2CCCC2=O)C1 584944079 ASTQFELKKXVKHG-AWEZNQCLSA-N 316.166 -0.407 50 20 DBGD CC(C)N1C[C@H](C)[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584957885 JDMVURJZBOQNMR-HZMBPMFUSA-N 308.162 -0.036 50 20 DBGD OB(O)c1ccc(-c2noc(COC[C@H]3CCOC3)n2)cc1 585050478 AJHWOMOPZALJQF-JTQLQIEISA-N 304.111 -0.031 50 20 DBGD CCOCC(=O)NNC(=S)NCCCN1CCOCC1 731160850 GONRYSKSBSVEBE-UHFFFAOYSA-N 304.416 -0.760 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1C 751271239 LREISQVJSYFGKU-UHFFFAOYSA-N 305.287 -0.045 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1Cc2ccccc21 758040464 QNWDKNNDZQQEHR-KCJUWKMLSA-N 311.363 -0.589 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)[C@H]1CCCO1 776225172 CJLCPWRUEWTZFL-GRYCIOLGSA-N 313.354 -0.451 50 20 DBGD COc1cccc(C[C@H](O)C(=O)NNC(=O)N2CCOCC2)c1 785407977 FVTYCBQCJZOFRG-ZDUSSCGKSA-N 323.349 -0.328 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)N=c1cc[nH]cc1 802026175 UJKXTLGFCBFLNP-UHFFFAOYSA-N 317.265 -0.145 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1cnccn1 816173793 UNQMXAIUPXDWNE-AOOOYVTPSA-N 301.306 -0.129 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCOCC1 825535029 XXDAWAYJJBGYLX-QWRGUYRKSA-N 300.359 -0.926 50 20 DBGD Cc1onc(CC(=O)NN=c2cc[nH]cc2)c1-c1nn[nH]n1 826348456 NADZFXDHHRGDFE-UHFFFAOYSA-N 300.282 -0.334 50 20 DBGD Cc1ccc(NNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)nn1 845421010 YTBIWWXBVHIDCL-SECBINFHSA-N 314.371 -0.555 50 20 DBGD O=C(NCCN1CCCC1=O)NNc1nc2ccccn2n1 845484860 NPQGGTNTZMRWKH-UHFFFAOYSA-N 303.326 -0.022 50 20 DBGD COC(=O)[C@@](C)(CO)N[C@H](C)C(=O)NNC(=O)CC(C)C 852159928 USCFKPDMFLKMHX-NOZJJQNGSA-N 303.359 -0.918 50 20 DBGD CN(C)CCOCCNC(=O)NNC(=O)c1cccc(F)n1 854016650 NPXRHBROZYNKSZ-UHFFFAOYSA-N 313.333 -0.257 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN1CCCNC1=O 854279870 LPSZFJNALAYAOH-UHFFFAOYSA-N 317.415 -0.724 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 854287465 BVCPEJZMTLIDBW-UHFFFAOYSA-N 305.342 -0.230 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 855006447 OEBVOKHEGBHVRA-RKDXNWHRSA-N 310.358 -0.457 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 858569757 NQAALHOWDQTADV-NWDGAFQWSA-N 300.318 -0.030 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H](O)C2CCCCC2)N1 858695505 GFIIOQKWQDRFAT-MNOVXSKESA-N 312.370 -0.463 50 20 DBGD Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461370 OOKPRBHPNABDLT-SNVBAGLBSA-N 307.354 -0.014 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cnc(C2CC2)s1 863461817 VMICFWLOMGCZQD-UHFFFAOYSA-N 303.365 -0.174 50 20 DBGD CC(C)c1nocc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 863866313 SQZPDPHJRIRUMQ-ZETCQYMHSA-N 318.355 -0.503 50 20 DBGD COC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(B(O)O)cc1)CC2 863872099 ABPVQRGTAHGJHZ-ZDUSSCGKSA-N 317.150 -0.218 50 20 DBGD COC(=O)CC1(CS(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 864231014 INDYHPYCZQDLGZ-VIFPVBQESA-N 305.161 -0.792 50 20 DBGD COC(=O)C[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 864988085 VOEQEDNNTQFSDD-CYBMUJFWSA-N 305.139 -0.076 50 20 DBGD CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1ccc(B(O)O)cc1)C2 909785144 OWXCWLHLYKDXGX-LNSITVRQSA-N 302.183 -0.174 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)C(=O)NNC(=O)C(C)C)n1 1116671416 PKMFOLGMHMPKLS-VIFPVBQESA-N 311.342 -0.168 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cn1 1254897555 WPRSZDYMPXOOCQ-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 1319879811 OGUNZAJKVNGXJZ-QMMMGPOBSA-N 324.472 -0.146 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)C[S@@](C)=O 1320955705 LECXWLWFQROXKU-ZUNJMDCASA-N 309.388 -0.865 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(OC(F)F)nc1 1322757221 PMMBZSNKSAYEHW-UHFFFAOYSA-N 318.236 -0.849 50 20 DBGD Cn1nncc1NNC(=O)c1cccnc1N1CCOCC1 1325022810 IIVLSEXHWKXCQC-UHFFFAOYSA-N 303.326 -0.196 50 20 DBGD Cn1cncc1CNC(=O)NNc1nc(O)c2cnn(C)c2n1 1349538775 XKSMPJDMRGMCGZ-UHFFFAOYSA-N 317.313 -0.371 50 20 DBGD C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)C1CCOCC1 1353034433 HJOYVWZKTSGTFI-JQWIXIFHSA-N 315.370 -0.063 50 20 DBGD CS(=O)(=O)CC[C@@H](N)C(=O)NNC(=O)OCC(F)(F)F 1574057649 UJVJAKBBPKYNPP-RXMQYKEDSA-N 321.277 -0.932 50 20 DBGD NCCC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 1580281530 CTLVOWZTSAGOSK-SECBINFHSA-N 308.313 -0.325 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1OC 1590744309 LWVCCLJLNDRHJE-UHFFFAOYSA-N 305.298 -0.161 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)ccn2)cn1 1592565895 LQEUEEDQTFVRBQ-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD CN(CCCNC(=O)NNC(=O)C(=O)O)Cc1ccccc1 1606122030 FTTKKIAHLPYQEA-UHFFFAOYSA-N 308.338 -0.077 50 20 DBGD O=C(CN1CC2CC1(C(=O)O)C2)NNC(=O)c1ccccc1 1608327635 IKGAUNWZASGTOS-UHFFFAOYSA-N 303.318 -0.003 50 20 DBGD C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNc1nc[nH]n1 1609134740 UJRUWRVBSYAOIK-SSDOTTSWSA-N 315.297 -0.105 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCSC[C@@H](C(=O)O)C1 1609682740 IYJOEWLVQDTBEM-VIFPVBQESA-N 303.384 -0.461 50 20 DBGD O=C(c1cc[nH]n1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841348453 SBVFPCYHVWWESX-SNVBAGLBSA-N 312.757 -0.174 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 47909132 QOZPSSMMBXQGOJ-LLVKDONJSA-N 323.305 -0.328 50 20 DBGD COc1ccnc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)n1 268438830 LFNAEJBFRUMPGK-JGVFFNPUSA-N 310.314 -0.856 50 20 DBGD Cc1cc(C)nc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)n1 268494101 VXPUTZXAFJSPMO-NXEZZACHSA-N 308.342 -0.248 50 20 DBGD COC[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 269678751 QFSHCJITPVMYRQ-JTQLQIEISA-N 324.337 -0.235 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc([N+](=O)[O-])[nH]n2)n1 285119028 VKAGVTASRKMHOD-UHFFFAOYSA-N 307.270 -0.408 50 20 DBGD C=CCSCCNC(=O)NNC(=O)C(=O)N1CCCC1 299518653 PPOQNJULHSXXAJ-UHFFFAOYSA-N 300.384 -0.142 50 20 DBGD CN1C(=O)C[C@H](C(=O)NNC(=O)CO)[C@H]1c1ccc(F)cc1 368157417 DDMBUMBOGLQMCE-GXFFZTMASA-N 309.297 -0.515 50 20 DBGD CC(C)[C@H](CNC(=O)c1ccc(B(O)O)cc1)N1CCOCC1 584929235 PSPQGERJNKEYIN-HNNXBMFYSA-N 320.198 -0.547 50 20 DBGD O=C(CCNC(=O)c1ccc(B(O)O)c(F)c1)NC1CCCC1 584933493 CWTFWZNYHOJLQS-UHFFFAOYSA-N 322.145 -0.316 50 20 DBGD C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(B(O)O)ccc1F 584949098 GGHSZJMIIFUKPE-YGRLFVJLSA-N 308.162 -0.082 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)[C@@]12CCCO2 584975334 MTCYWYCJQVJAQT-FMKPAKJESA-N 319.166 -0.177 50 20 DBGD O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCB(O)O 585058196 VLJPFKUQANGKDJ-UHFFFAOYSA-N 308.187 -0.163 50 20 DBGD Cc1cc(CC(=O)NNC(=S)NCC(=O)NC(C)C)n[nH]1 727273688 RVFBHRMDUJYZIS-UHFFFAOYSA-N 312.399 -0.719 50 20 DBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(C)=O 729510014 OABFZOWJCPJDNF-NSHDSACASA-N 303.326 -0.558 50 20 DBGD CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cnn(C)c1 735512756 MVYBLGOLQXUMDA-IUCAKERBSA-N 310.358 -0.333 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 744404678 WLJXDHPSBHJDFH-UHFFFAOYSA-N 315.333 -0.907 50 20 DBGD CCC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)COC1 764345024 NOBLOGAJHWUSBW-UHFFFAOYSA-N 306.322 -0.615 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)ccc1S(N)(=O)=O 768247327 LXGJHCWXMDKYHK-UHFFFAOYSA-N 315.351 -0.826 50 20 DBGD C[C@@H]1COCCN1CCNS(=O)(=O)CBr 780771068 LZFWIRABNRWDAC-MRVPVSSYSA-N 301.206 -0.021 50 20 DBGD COc1cccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 790159562 KCIBEYWOXBWIOD-SNVBAGLBSA-N 312.351 -0.090 50 20 DBGD C[C@H](C(=O)NNc1nc2ccccn2n1)N1C(=O)CCC1=O 791260992 XPNDVWJWQKCYJJ-MRVPVSSYSA-N 302.294 -0.290 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)N=c1cc[nH]cc1 802034266 GXOSJPYTZRFVAQ-UHFFFAOYSA-N 319.321 -0.415 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)nc1 802567869 ZJQLYSGIQGWXCA-UHFFFAOYSA-N 318.236 -0.585 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@@H](C)C(=O)O)n1 818976827 TUOAQFLVEGGHEH-QMMMGPOBSA-N 314.367 -0.454 50 20 DBGD O=C(O)C[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2COCCO2)C1 819365043 MPHOKSSVCQSZCA-UWVGGRQHSA-N 315.326 -0.671 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843653230 MSVHDXJWAQWBJA-MNOVXSKESA-N 310.354 -0.012 50 20 DBGD NC(=O)NC1(C(=O)NNc2ncc(Br)cn2)CC1 848322113 QNXCHMQNBOUTIY-UHFFFAOYSA-N 315.131 -0.117 50 20 DBGD CC[C@H]1COCC1=NNC(=O)CSc1nnc(O)nc1O 853285138 POHHWMBNCITRCH-LURJTMIESA-N 313.339 -0.097 50 20 DBGD C[C@H](CCc1cccn1C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858252611 MKMYCMDBUHMQIG-PWSUYJOCSA-N 321.381 -0.045 50 20 DBGD COc1ncc(NC(=O)NNc2nnc(C)n2C)cc1C(N)=O 860776054 AXYQBICWZPECQY-UHFFFAOYSA-N 320.313 -0.225 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn(C(F)F)c2)CC1 868120498 CBQWRBSUZITIPY-UHFFFAOYSA-N 302.285 -0.120 50 20 DBGD CCNC(=O)NNC(=O)c1cccn1CCN1CCOCC1 906417266 KUBNXOHMQMCOQP-UHFFFAOYSA-N 309.370 -0.216 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(Cl)ccc1O 919743947 YZGSKPTXTMTETR-UHFFFAOYSA-N 306.727 -0.149 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)NC1 919821894 DZUIFLAZSLRXQT-LLVKDONJSA-N 305.334 -0.089 50 20 DBGD O=C(COc1cccnc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1116025906 VLXHJXMDPFILEY-VIFPVBQESA-N 313.335 -0.958 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCCNC(N)=O 1256075145 IKMNMLRTQCULNV-MRVPVSSYSA-N 302.331 -0.686 50 20 DBGD COCCCNC(=O)NNC(=O)C(=O)c1c(C)nn(C)c1C 1317994465 UPXJYJOKDSKZDT-UHFFFAOYSA-N 311.342 -0.413 50 20 DBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2cccnc2)C1 1318320058 CQYLOZGRPJRFCR-LLVKDONJSA-N 305.338 -0.438 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1ccc[n+]([O-])c1 1318347926 PEEAHJFISZEFRX-UHFFFAOYSA-N 303.274 -0.134 50 20 DBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1321827232 SGWCQWUYXKNAJV-MRVPVSSYSA-N 300.340 -0.901 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 1324306179 RIXRJBSNEIVMSL-BXKDBHETSA-N 319.383 -0.681 50 20 DBGD CN(CCc1nccs1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329192200 RMUPQXLXRHXEQZ-QMMMGPOBSA-N 311.367 -0.363 50 20 DBGD Cc1cscc1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1330066366 HQMJYKBBDOUXPZ-ZETCQYMHSA-N 310.335 -0.579 50 20 DBGD O=C(CN1CCN(C[C@@H]2CCOC2)CC1)NNC(=O)C1CC1 1334727370 FXCBZXOLSKCKJQ-LBPRGKRZSA-N 310.398 -0.802 50 20 DBGD C[C@@]1(CCC(=O)NNc2ccc(C(N)=O)nn2)CCC(=O)N1 1337722189 VXUKZRJBKBVCNX-ZDUSSCGKSA-N 306.326 -0.533 50 20 DBGD CC(C)c1nn(C)cc1C(=O)NNC(=O)CS(C)(=O)=O 1348436846 QOCNELFHGXVWQF-UHFFFAOYSA-N 302.356 -0.651 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CCNC2=O)CC1 1348898620 GBGQHUOOPVSZFY-MNOVXSKESA-N 324.381 -0.246 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](CCCN)c1ccccc1 1578766169 AXCMUOIYTOGYDG-LLVKDONJSA-N 308.338 -0.030 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@]1(C)C[C@@H](O)CN1 1579873124 TXRBGZUQFBCGKX-MEBBXXQBSA-N 317.349 -0.483 50 20 DBGD O=C(COC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1592886150 WGJSDNLMTPUBFB-UHFFFAOYSA-N 302.294 -0.193 50 20 DBGD O=C(O)Cn1cc(C(=O)NNC(=O)NC2CCCCC2)nn1 1595143404 CBDSLUAVFHQBBA-UHFFFAOYSA-N 310.314 -0.361 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1COc2cc(F)cc(F)c21 1601552640 BZYNBOTZTKRFSV-ZCFIWIBFSA-N 301.205 -0.187 50 20 DBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1cccc(Cl)n1 1604464359 OFTZDLUMPAJAOW-NSHDSACASA-N 301.686 -0.014 50 20 DBGD CN1CCC(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1 1604854505 SVZXEMCQKJBCRO-UHFFFAOYSA-N 317.357 -0.018 50 20 DBGD CN(C)S(=O)(=O)CC(=O)NNc1ccc(F)c(C(=O)O)c1 1606038287 YSINFECIDBXZKQ-UHFFFAOYSA-N 319.314 -0.142 50 20 DBGD O=C(c1cccnn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847564099 STXWQLFGGVKOHL-SDDRHHMPSA-N 324.768 -0.108 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2cc[nH]n2)c2ccccc2c1=O 54043138 RMWGVBMLVRTQIM-UHFFFAOYSA-N 312.289 -0.269 50 20 DBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)NC1CC1 64429288 LSHQBSUJAMFMLD-UHFFFAOYSA-N 302.294 -0.716 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F 126429109 IZGUEZFVYPYJRF-UHFFFAOYSA-N 318.255 -0.249 50 20 DBGD COCCN1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1 265496189 CCQBOHVAUXZOCE-CYBMUJFWSA-N 321.381 -0.325 50 20 DBGD C#CCSCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 265896475 ZXRQFOQEZICBNO-LLVKDONJSA-N 305.425 -0.266 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 268691371 IPWAFSOREKQMHB-UHFFFAOYSA-N 310.358 -0.784 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1cccc(F)c1 269581673 KDLOJASWSCLAOM-UHFFFAOYSA-N 301.343 -0.001 50 20 DBGD CCCn1nc(C(=O)NNC(=O)[C@@H](C)O)c2ccccc2c1=O 270791557 XGASLYHTHCZUTI-SECBINFHSA-N 318.333 -0.052 50 20 DBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NN(C)C(N)=O)C2=O 272223765 ULHFJUXTCUSNQC-OQPBUACISA-N 311.342 -0.471 50 20 DBGD CC(C)[C@H](C(=O)NNc1cccnn1)N1CCCS1(=O)=O 273264113 ZPSHCLUCRUDJDM-LLVKDONJSA-N 313.383 -0.020 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 298331421 GNOBUJIDORNDJR-BXKDBHETSA-N 319.317 -0.548 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)cc1 490555469 DZXBSIIPRQCYRL-UHFFFAOYSA-N 304.280 -0.301 50 20 DBGD O=C(NC1CC1)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584934818 XOKJYMLEPIWLAG-UHFFFAOYSA-N 316.166 -0.503 50 20 DBGD O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(B(O)O)c(F)c1 584934905 ZJSZYJAADIGZTO-SNVBAGLBSA-N 306.146 -0.280 50 20 DBGD C[C@@H](Cc1cnn(C)c1)NC(=O)c1ccc(B(O)O)c(F)c1 584996749 OOEYCZPQPMHAOF-VIFPVBQESA-N 305.118 -0.400 50 20 DBGD CCCN1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CC1=O 585003500 REMVFBVRPCQRMZ-SNVBAGLBSA-N 308.118 -0.754 50 20 DBGD O=C(Cc1cccc(I)c1)NCB(O)O 585061282 UYZOCOPZDLWWEM-UHFFFAOYSA-N 318.907 -0.038 50 20 DBGD NC(=O)CNC(=S)NNC(=O)Cn1cnc2ccccc21 727065668 CADVWMJPVKCYNV-UHFFFAOYSA-N 306.351 -0.983 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=S)NCC1CCC1 728449840 OAAMYYWAVLMXRG-SSDOTTSWSA-N 308.429 -0.781 50 20 DBGD CNC(=O)CCCNC(=O)NNC(=O)COc1ccccc1O 730902902 JSQVMWUIXHYLJO-UHFFFAOYSA-N 324.337 -0.372 50 20 DBGD COc1ccccc1C(=O)NNC(=O)Cn1cccnc1=O 731494417 QYFWCKDNAPUUAM-UHFFFAOYSA-N 302.290 -0.287 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)on1 733757077 ITOUBGDPYOGCJU-MRVPVSSYSA-N 315.351 -0.006 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H](C)N1CCOCC1 735581922 STZQZIWHGUDVMO-GHMZBOCLSA-N 324.385 -0.527 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)CNC(=O)c2cccs2)CCC1 747907000 KSBDIWDOBAFKQF-UHFFFAOYSA-N 324.362 -0.719 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCOC1CCC1 748637447 RBDHEMYCBOERCF-SNVBAGLBSA-N 303.359 -0.063 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1 765678464 TVRGQFUJWNUPMC-NEPJUHHUSA-N 319.365 -0.131 50 20 DBGD Cc1cnn(-c2c(C(=O)NNC(=O)C(C)(C)O)c(C)nn2C)c1 768256776 YMVJFUABRIVQMH-UHFFFAOYSA-N 320.353 -0.245 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(Cn2cncn2)cc1 768261564 MZIHEHVYMJLJAQ-UHFFFAOYSA-N 303.322 -0.142 50 20 DBGD COc1ccnc(NNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)n1 770434303 FTGIKPPAKBNHPA-NXEZZACHSA-N 310.358 -0.170 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)cc1 801106809 HYURYHHFWWMRQK-NSHDSACASA-N 318.333 -0.441 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc3ncnn23)CC1 807383431 WFEDRARVSYQKNI-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD COc1cccnc1CC(=O)NNC(=O)N1CCN(C)CC1 807383602 GAJSKPMXEZKOCS-UHFFFAOYSA-N 307.354 -0.379 50 20 DBGD Cn1nncc1NNC(=O)CNC(=O)COc1ccccc1 816770181 MQXGYHMWQGBSEX-UHFFFAOYSA-N 304.310 -0.547 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)NC1CCC(C(=O)O)CC1 821452013 XXIGVEJMYSVIMT-RTBKNWGFSA-N 315.326 -0.624 50 20 DBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)N1C(=O)[C@H]2CCCC[C@H]2C1=O 823988376 REWSYDHRZVNQTG-KXNHARMFSA-N 311.382 -0.106 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 839721440 QHJVTEBYXHGJKA-NSHDSACASA-N 323.324 -0.644 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)[C@H]2CCO[C@H]2C)nn1 842558420 XOZZOFMIUGMEQN-UWVGGRQHSA-N 309.326 -0.284 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 843970006 AUIZNHJZQCUNJG-XPUUQOCRSA-N 309.282 -0.242 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCc3nnnn3CC2)n1 845933501 CGLPGBQPPSLODR-ZCFIWIBFSA-N 323.748 -0.206 50 20 DBGD C[C@H](CC(N)=O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855833233 QAMZERHDPMUARU-SECBINFHSA-N 314.386 -0.412 50 20 DBGD CO[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccc(F)cc1 858168365 SRVQQSCKJSCDCW-LLVKDONJSA-N 309.297 -0.061 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c2c(C)n[nH]c2n1 862454370 SYAJTTKCWNVTEQ-SECBINFHSA-N 316.321 -0.386 50 20 DBGD O=C(NNC(=O)c1cc(B(O)O)ccc1F)NC1CCCC1 863872850 ZPSWCVIXSQMBMD-UHFFFAOYSA-N 309.106 -0.608 50 20 DBGD OCCn1ncc2c1CCC[C@@H]2NCc1ccccc1B(O)O 876966181 QPCIFYSVVKZEDL-HNNXBMFYSA-N 315.182 -0.278 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)NC[C@@H]1COCO1 923861515 RLLHWRXULJNKPG-SECBINFHSA-N 313.285 -0.092 50 20 DBGD Cc1nccn1C[C@@H](C)CNC(=O)NNC(=O)C(=O)NC1CC1 1318373001 KNIRRJJZQJWBMH-VIFPVBQESA-N 322.369 -0.563 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1 1321602648 QJRXCNJSSQFHBZ-UHFFFAOYSA-N 305.338 -0.424 50 20 DBGD C=CC(=O)NCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324129639 WZFBZTJTQWVWBY-SNVBAGLBSA-N 303.384 -0.829 50 20 DBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326716360 UXRAFLMEHGFIKQ-CAHLUQPWSA-N 304.328 -0.700 50 20 DBGD COCCOCC(=O)NNC(=O)c1nnc(O)c2ccccc12 1332145251 POSXROOSIQUDET-UHFFFAOYSA-N 320.305 -0.241 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 1332158618 UBUISTJPQOXUNJ-KOLCDFICSA-N 306.322 -0.099 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cn(C)nc1OC 1333607792 MQJZOESFGPAMLS-UHFFFAOYSA-N 311.342 -0.506 50 20 DBGD COCCCNC(=O)NNC(=O)c1c[nH]nc1[C@@H]1CCNC1 1579016490 JVKZBCJPSQSILG-SECBINFHSA-N 310.358 -0.533 50 20 DBGD CCOC(=O)NNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1590884210 ONYOMDISXNADSM-UHFFFAOYSA-N 308.312 -0.957 50 20 DBGD CN1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)NC1=O 1591167305 VYVIAPLNOQAFEQ-SECBINFHSA-N 302.298 -0.667 50 20 DBGD COC(=O)[C@@H](F)CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591276154 CGXMHGVTZBTLEL-ZETCQYMHSA-N 324.276 -0.601 50 20 DBGD C[C@@H](NC(=S)NNC(=O)Cn1cc(C(=O)O)nn1)C1CC1 1593188818 AUIVWBMPGVAPOD-ZCFIWIBFSA-N 312.355 -0.730 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ncccn2)CO1 1595005326 NPRNOEZYTLKWHR-DTWKUNHWSA-N 308.294 -0.493 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNC(=O)C2CCCC2)c1=O 1595157058 WXMJNEDDHCDOEX-UHFFFAOYSA-N 307.306 -0.116 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)NC[C@H]1CCO[C@H]1C(=O)O 1601370082 PUQGULIJDVQJMF-BXKDBHETSA-N 322.321 -0.556 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)[C@]12CCCO2 1610030578 MQEXXRVYVYFOFY-DNSOKLHBSA-N 301.299 -0.872 50 20 DBGD CC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1792974575 CZSPHXQTWOQVTD-KZZRWZIVSA-N 318.801 -0.005 50 20 DBGD CC[C@H](NC)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350473 DXUNULUEYDSZNY-QWRGUYRKSA-N 317.817 -0.213 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1COCCO1 32661453 MVKOEIAUQWSJDV-RYUDHWBXSA-N 308.290 -0.611 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)[C@H]2COCCO2)c2ccccc2N1 266706167 QOGRDFICTBKYAG-ZYHUDNBSSA-N 319.317 -0.325 50 20 DBGD C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(B(O)O)cc1 584947873 DMQSZZBVTNIKBR-NXEZZACHSA-N 311.168 -0.986 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CN2CCOCC2)C1 584950523 FLYGYVGIMXLJDT-CYBMUJFWSA-N 318.182 -0.839 50 20 DBGD C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584976041 PNLUAAFEUFKJOV-ONGXEEELSA-N 311.118 -0.883 50 20 DBGD CCN(C)C(=O)[C@@H](NC(=O)c1cccc(B(O)O)c1)C(C)C 584994589 BGOBNNPGECKDPZ-ZDUSSCGKSA-N 306.171 -0.401 50 20 DBGD COc1ccc(OCC(=O)NNC(=S)NCC(N)=O)cc1 727064342 CARBLWRNEXXPSN-UHFFFAOYSA-N 312.351 -0.945 50 20 DBGD C[C@H](CN1CCCCC1)C(=O)NNC(=S)NCC(N)=O 727066714 OXKLGXUHJXVZHI-SECBINFHSA-N 301.416 -0.911 50 20 DBGD CN(CC(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)C1CC1 733145510 RYFICWYTALTUKJ-UHFFFAOYSA-N 322.321 -0.975 50 20 DBGD CCc1ncsc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749661963 AMDCNAOEWNHDFD-SSDOTTSWSA-N 317.392 -0.099 50 20 DBGD C[C@@H]1CN(C)CC1=NNC(=O)C(=O)NN=C1CN(C)C[C@H]1C 752156025 VZVOVZBHSBYGAN-NXEZZACHSA-N 308.386 -0.906 50 20 DBGD Cc1cscc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758043521 ICLNSLMOZYKIRY-SSDOTTSWSA-N 305.381 -0.245 50 20 DBGD COC(=O)c1coc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1 758111008 ZIIDAJRKPQEUMR-ZETCQYMHSA-N 317.323 -0.546 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)c(C)nn(C)c1=O 771971388 YGUQGUXREQQGIJ-SECBINFHSA-N 324.337 -0.500 50 20 DBGD CCNC(=O)COc1ccc(C=NNC(=O)CO)cc1OC 776780007 AJCXYHLEDRSJTF-UHFFFAOYSA-N 309.322 -0.348 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc(OCC(N)=O)cc1 779827138 XJUUSNVNACDSJP-UHFFFAOYSA-N 308.294 -0.643 50 20 DBGD O=C(NNC(=O)c1[nH]nnc1-c1ccccc1)C(=O)NC1CC1 797702146 SOAVUJPNGQMDMY-UHFFFAOYSA-N 314.305 -0.489 50 20 DBGD N#Cc1cccc(-n2ccc(C(=O)NNC(=O)c3cnn[nH]3)n2)c1 798958285 SLKPUJOBOVCZAO-UHFFFAOYSA-N 322.288 -0.063 50 20 DBGD C#Cc1cncc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 806736295 JAMSNRJDFCHVDL-UHFFFAOYSA-N 312.285 -0.153 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 816820070 XUORZHWNZZDUDL-JTQLQIEISA-N 320.305 -0.881 50 20 DBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NN(C)C1CC1 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AJIRVVNRQPOJDD-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc[nH]1 1317716410 GDGYHCYBNDMYJD-QMMMGPOBSA-N 317.392 -0.304 50 20 DBGD Cc1nn(CCO)c(C)c1C=NNC(=O)CN1CCCC1=O 1317974959 KCFLCINWRYGWCG-UHFFFAOYSA-N 307.354 -0.435 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccncc1 1320224227 KSSHSSURXWGRFT-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD O=C(Cc1ncccc1F)NNC(=O)[C@H]1CCS(=O)(=O)C1 1321016394 OUOGIOKQBWMHQI-QMMMGPOBSA-N 315.326 -0.655 50 20 DBGD CC(C)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(F)F 1321055678 RXFLADQWWLUPCT-LURJTMIESA-N 313.326 -0.205 50 20 DBGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1 1321152401 SGJQVIVCDKHYEA-UHFFFAOYSA-N 304.306 -0.329 50 20 DBGD C[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)n1ccnc1 1322516298 NDYYIWWDBZICIP-VIFPVBQESA-N 302.294 -0.375 50 20 DBGD Cc1cn2ccnc(C(=O)NNc3nnc(C)c(O)n3)c2n1 1326379483 ATTCASIPQAOZCG-UHFFFAOYSA-N 300.282 -0.006 50 20 DBGD C[C@@](O)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 1328803240 AUHSGGUHVUKIBV-ISVAXAHUSA-N 310.310 -0.904 50 20 DBGD COCc1csc(C(=O)NNC(=O)CS(C)(=O)=O)c1 1330167848 FOYBTOFCWPXQAX-UHFFFAOYSA-N 306.365 -0.300 50 20 DBGD C[C@@]1(CNC(=O)CN2C(=O)CNC2=O)C[C@H]1Br 1348011024 MPOXPWVGWTYNSH-LDWIPMOCSA-N 304.144 -0.172 50 20 DBGD O=C(O)Cn1ccc(NC(=O)C(=O)NNc2cccc(F)n2)n1 1595151124 FZQSWFHIHRIRHY-UHFFFAOYSA-N 322.256 -0.416 50 20 DBGD C[C@H](C(=O)O)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1599886147 FTTDUMAHAGXEKN-MRVPVSSYSA-N 324.293 -0.239 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)c(C)c1 1600482534 FGOQIOGCHBUMPU-UHFFFAOYSA-N 301.324 -0.119 50 20 DBGD O=C(NNc1ccccc1C(=O)O)c1cccc(B(O)O)c1 1601561639 SBLDHZVYGVUFCQ-UHFFFAOYSA-N 300.079 -0.179 50 20 DBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNC(=O)c1ccncc1 1608332242 ZZROICAPVDJPOO-SNVBAGLBSA-N 320.305 -0.834 50 20 DBGD O=C(NCCc1ccc(C(=O)O)cc1)NNC(=O)c1ncon1 1608451114 FWZULUIMAZTNLK-UHFFFAOYSA-N 319.277 -0.046 50 20 DBGD O=C(O)Cc1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1 1608779612 KLNLYKGMDXBKLG-NSHDSACASA-N 323.305 -0.118 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ccccc2C(=O)O)c1=O 1610596061 VWEJFTXYJYTCQY-UHFFFAOYSA-N 318.289 -0.612 50 20 DBGD COCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793109940 JOLXKHJMJFCLIA-VLEAKVRGSA-N 304.774 -0.129 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 267499129 MAPLXTLGUGNKHG-NSHDSACASA-N 317.349 -0.282 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 268441462 KOURGTSUOYQHRJ-BDAKNGLRSA-N 324.341 -0.547 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNc2nc3ccccn3n2)C1 276511900 CMPLLXZXGKYNJA-LLVKDONJSA-N 318.385 -0.399 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cncc(-n3ccnn3)c2)O1 294109408 FBXXUQSKPYMYSR-CABZTGNLSA-N 316.321 -0.009 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccccc1-n1cnnn1 299245873 WKSOYZTZTHDORK-UHFFFAOYSA-N 319.325 -0.357 50 20 DBGD CNS(=O)(=O)CCNC(=O)/C(C#N)=C/c1ccc(O)cc1 491127681 BPZPVVIKNPOYKT-DHZHZOJOSA-N 309.347 -0.035 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)S(C)(=O)=O 494539128 LMGXKLNFYCRXFS-ZETCQYMHSA-N 323.371 -0.908 50 20 DBGD N#CCCN(C[C@H]1CCOC1)C(=O)c1ccc(B(O)O)cc1 584943569 UEPHUWJKNXPPPL-GFCCVEGCSA-N 302.139 -0.241 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 584964670 JYSQJWNRNSNWHF-GHMZBOCLSA-N 317.072 -0.106 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@H]1[C@H]1CCCO1 584988564 PZMUDRQKBBAGBQ-ZIAGYGMSSA-N 305.139 -0.614 50 20 DBGD O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(B(O)O)cc1 584999774 YICHGZRRWSRNFI-QWHCGFSZSA-N 302.139 -0.750 50 20 DBGD Cc1cccc(C(=O)NCCNCc2ccc(B(O)O)o2)c1 585018864 VLHLNFJKGIMKNJ-UHFFFAOYSA-N 302.139 -0.213 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CN3CCC[C@@H]3CO2)c(F)c1 585021934 FVBBNBCPOJJQOM-KGLIPLIRSA-N 308.162 -0.542 50 20 DBGD CS(=O)(=O)c1ccc(CCNCc2ccc(B(O)O)o2)cc1 585026863 LIPLYZJEVDCYOQ-UHFFFAOYSA-N 323.179 -0.305 50 20 DBGD CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058959 VIXFZQSTEJGYRB-SECBINFHSA-N 315.204 -0.218 50 20 DBGD O=C(NNC(=O)[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 728383870 FPAXADWDLYZSJP-HTQZYQBOSA-N 324.449 -0.583 50 20 DBGD CN(C)C(=O)CCNC(=O)NNC(=O)c1cccc(C#N)c1 729047942 RWTYGOFPXZIHSP-UHFFFAOYSA-N 303.322 -0.019 50 20 DBGD CCn1c(NNC(=O)C2=NNC(=O)C2)nc2ccccc2c1=O 731894064 FSIIZKLSSGIFNO-UHFFFAOYSA-N 314.305 -0.265 50 20 DBGD CNC(=O)NNC(=O)CCNC(=O)c1n[nH]c2ccccc12 732754845 LTJBFBSIAUGCIE-UHFFFAOYSA-N 304.310 -0.357 50 20 DBGD C[C@H](NC(=O)O)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 739180948 HHJAMWJZUZQHMM-BBBLOLIVSA-N 316.358 -0.711 50 20 DBGD CCNC(=O)C1(CNC(=O)NNC(=O)COCC)CCC1 753745186 DEBXSAGJFRQRBV-UHFFFAOYSA-N 300.359 -0.340 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)COc2ccccc2O)CCN1 760551700 PHUOKAOHUSHSID-VIFPVBQESA-N 307.306 -0.555 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1ccc2ccccc2n1 761139833 ZCNVPERAVZLKGI-UHFFFAOYSA-N 301.306 -0.075 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)cnc1Cl 764204772 UMAMBMBPNUXBOE-UHFFFAOYSA-N 313.745 -0.309 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 764299246 AUVJOGXZFXPNCC-UHFFFAOYSA-N 311.342 -0.339 50 20 DBGD COCCCn1nccc1C=NNC(=O)C(=O)N1CCCC1 802709727 JEEKVZOCXUWGLY-UHFFFAOYSA-N 307.354 -0.008 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1 805771826 BAMAYOKVXQRKAR-OUAUKWLOSA-N 319.427 -0.170 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)CC1CC1 819123165 RRCAXYIBTQRDRI-UHFFFAOYSA-N 317.392 -0.026 50 20 DBGD O=C(CNC(=O)c1ccco1)NN=C1CCN(CCO)CC1 819808020 YZPAENTUKIGAJO-UHFFFAOYSA-N 308.338 -0.430 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@H](CC(=O)O)C1 826754687 QIOOEDXRCLIOHG-WDEREUQCSA-N 315.370 -0.256 50 20 DBGD CON1CCC(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 826984787 QSLFFBJXECNXLP-ONGXEEELSA-N 300.359 -0.232 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 843970130 BLHVWZSUHNKCOP-CIUDSAMLSA-N 300.359 -0.358 50 20 DBGD CO[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)C(F)(F)F 846638029 DQDRGAPHUOGGPE-LURJTMIESA-N 307.232 -0.014 50 20 DBGD Cc1cnc(CCNC(=O)NNC(=O)C(=O)NC2CC2)c(C)c1 847413456 QFQQBDRZSJASMU-UHFFFAOYSA-N 319.365 -0.150 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 848234244 DVLJAXABVFGFFJ-RQJHMYQMSA-N 309.282 -0.242 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)CC(F)(F)F)nn1 855000716 NPGCSAAQGLCJRC-UHFFFAOYSA-N 309.204 -0.836 50 20 DBGD CSC[C@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695958 IQTUOIUATHMTOB-BDAKNGLRSA-N 300.384 -0.167 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCCC3)N1 862459442 TZOSAVFUSLTXHX-SNVBAGLBSA-N 305.338 -0.282 50 20 DBGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459890 YEZGSSQZRPJEEH-NSHDSACASA-N 321.381 -0.487 50 20 DBGD COC(=O)CC1(NC(=O)c2cc(B(O)O)ccc2F)CCC1 863877483 YNFCFXOQBVHHEG-UHFFFAOYSA-N 309.102 -0.279 50 20 DBGD COC(=O)[C@H](CC(F)(F)F)NC(=O)c1ccc(B(O)O)cc1 863879706 YNACSAFBCHBHSO-VIFPVBQESA-N 319.044 -0.410 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)Cc2ccccc2F)C1=O 900638957 TVLMCHCXQFIFBT-LBPRGKRZSA-N 309.297 -0.627 50 20 DBGD COC[C@@H]1COCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C 933329929 COYUFABPYYHLOY-NWDGAFQWSA-N 301.387 -0.084 50 20 DBGD O=C(CCl)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1116437377 AORHRHJHSJQKRJ-UHFFFAOYSA-N 307.759 -0.113 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2ccn(CC(F)F)n2)nn1 1116863775 NOXXVYFBKOAWLC-UHFFFAOYSA-N 311.252 -0.206 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)Nc1noc(C)n1 1254391292 PXMFVGNCPXGCST-UHFFFAOYSA-N 316.343 -0.168 50 20 DBGD CCn1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 1261460482 FXANGHQSOVTICO-SCZZXKLOSA-N 309.326 -0.586 50 20 DBGD CCn1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 1261460484 FXANGHQSOVTICO-WPRPVWTQSA-N 309.326 -0.586 50 20 DBGD O=C(NCCCn1ccnc1)NNC(=O)C(=O)N1CCCC1 1318078764 VBRGDSFMKSGWPP-UHFFFAOYSA-N 308.342 -0.774 50 20 DBGD O=C(CCOC1CCOCC1)NNC(=O)C(=O)N1CCCC1 1319083267 XEFSJGOSTHVGGM-UHFFFAOYSA-N 313.354 -0.658 50 20 DBGD Cn1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1319172323 WAXVPXVGQOCJRC-VIFPVBQESA-N 300.340 -0.844 50 20 DBGD O=C(NNC(=O)c1cc2n(n1)CCCO2)C(=O)N1CCCC1 1320764543 QWDZAPOTURMPHD-UHFFFAOYSA-N 307.310 -0.951 50 20 DBGD CC(=O)Nc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1F 1321161874 RDXJSLLMFHMZCP-UHFFFAOYSA-N 322.296 -0.176 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCO[C@H]1C(C)C 1323669762 ZROWTFFFJXNFKU-UWVGGRQHSA-N 301.343 -0.059 50 20 DBGD COC(=O)CC(C)(C)N(C)C(=O)c1cc(B(O)O)ccc1F 1348469017 WGOQKKZVFXPDBG-UHFFFAOYSA-N 311.118 -0.081 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccccc1F 1350794791 SMMQRGUTZDPDOO-MFKMUULPSA-N 306.341 -0.025 50 20 DBGD O=C(CO)NNC(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1 1592879159 XTRXKFNBBCBTLA-UHFFFAOYSA-N 302.294 -0.962 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cn1 1600944483 AKUZZOKHROALLU-KNEYGVCKSA-N 304.306 -0.379 50 20 DBGD C[C@@H]1OCCO[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1605426564 AECRPHWEXCQSRJ-XVKPBYJWSA-N 305.298 -0.491 50 20 DBGD O=C(NCCOc1ccc(F)cc1F)NNC(=O)C(=O)O 1608449163 KTJBVRBQOILAEH-UHFFFAOYSA-N 303.221 -0.241 50 20 DBGD C=CCNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1609058751 RWLPKYMASSNYCX-UHFFFAOYSA-N 304.339 -0.443 50 20 DBGD CNC(=O)NCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 1609288875 SALCQLRNDNITSO-UHFFFAOYSA-N 324.732 -0.108 50 20 DBGD CC(C)(C)[C@@H](NCC(=O)NNC(=O)c1ccccc1)C(N)=O 182648282 XOAMIFVXZTWGMG-LBPRGKRZSA-N 306.366 -0.063 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C2(C(=O)NC)CC2)nc1C 272223724 UJMASLRUWJUZIM-UHFFFAOYSA-N 321.337 -0.069 50 20 DBGD C[C@H](O)C[C@@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 274355131 XWECTJKOHQTDNH-GXTWGEPZSA-N 321.377 -0.081 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 286282049 IRUCFUWDQLHOQO-UWVGGRQHSA-N 308.294 -0.313 50 20 DBGD O=C(NCCn1cc([N+](=O)[O-])cn1)NNC(=O)[C@@H]1CCCO1 292731900 VAWHHTSLMXFDRM-VIFPVBQESA-N 312.286 -0.699 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC(=O)Nc2ccccc21 295587268 MAJJUSMXVNRJGN-JTQLQIEISA-N 318.333 -0.216 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NNC(=O)CO)C1 375255539 GTDDKVAZWKFHCO-YMTOWFKASA-N 313.354 -0.227 50 20 DBGD Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C2 584936389 HLNJARYQLWZICG-LLVKDONJSA-N 317.129 -0.245 50 20 DBGD CC(C)N1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)C1 584957887 JDMVURJZBOQNMR-QMTHXVAHSA-N 308.162 -0.036 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCOC2(CCOCC2)C1 584964915 LOBVSSABALCAJA-UHFFFAOYSA-N 305.139 -0.612 50 20 DBGD CCNC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCCC1 584979711 CGYLLJBJTCSLFJ-UHFFFAOYSA-N 304.155 -0.455 50 20 DBGD O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cccc(B(O)O)c1 584986170 VJEQWPFMDPPQGA-NSHDSACASA-N 315.138 0.236 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)c3cc(B(O)O)ccc3F)CC[C@@H]2N1 585007989 RIIYUQZAVXUPBU-RNCFNFMXSA-N 320.129 -0.754 50 20 DBGD CN(CC(=O)NCc1ccccc1)CC(=O)NNC(=O)C1CC1 738336011 XSHRGSIVVLZDPD-UHFFFAOYSA-N 318.377 -0.208 50 20 DBGD O=C(NNC(=O)c1ccc2n[nH]cc2c1)C(=O)N1CCCC1 746594989 KOBNXAKYVZWNSV-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD CCCNC(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C 747906870 DUCKSTILAOEVCP-UHFFFAOYSA-N 324.403 -0.929 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)CC1=O 757406447 BDFZVLYFNHSKOM-QMMMGPOBSA-N 320.353 -0.334 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F 764303555 NLXVBURYTJYFLW-UHFFFAOYSA-N 305.212 -0.164 50 20 DBGD COc1ccccc1C(=O)NNC(=O)Cn1cnc(C#N)n1 769193196 FZYMUWPOBHFFTI-UHFFFAOYSA-N 300.278 -0.380 50 20 DBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNc1cccnn1 776935903 HIVVDNJDCSZJDH-QWRGUYRKSA-N 311.342 -0.077 50 20 DBGD C[C@@H](C(=O)NN(C)C1CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 819648927 XOAOXIQTKZJTLH-VSYPEIIYSA-N 307.350 -0.337 50 20 DBGD O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)[C@H]1COCCO1 823273135 FOTHSZMMYLVTSS-LLVKDONJSA-N 302.294 -0.268 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)CN1CCOCC1 824016704 PUYMWHNTZJZZOX-RYUDHWBXSA-N 313.398 -0.083 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2cncn2C1)C(=O)N1CCCC1 844133495 VTLBXZXWUHBGEM-SNVBAGLBSA-N 305.338 -0.785 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1OC 847284813 RPEPNUSAGGNLKG-UWVGGRQHSA-N 321.333 -0.024 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCCS1(=O)=O)C1CC1 855094726 FXONTUYMNZWJIG-VXNVDRBHSA-N 305.425 -0.143 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 858218210 JWOGZGFNRIICEQ-ZDUSSCGKSA-N 321.333 -0.011 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCOC3(CCCC3)C2)N1 858694703 BMBWIUVZIACWIO-SNVBAGLBSA-N 310.354 -0.349 50 20 DBGD CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1=O 862453021 QQYYXXJYDKFNSW-GARJFASQSA-N 324.381 -0.551 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C(C)C)n1 862454478 GXMDBDDCMVHUKD-JTQLQIEISA-N 305.338 -0.052 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1O 862463145 YVKPUWFRAMATSM-JTQLQIEISA-N 305.290 -0.366 50 20 DBGD O=C1CC[C@H](C(=O)NN[C@H](C(=O)NC2CC2)c2ccccc2)N1 863378741 JKPQTZOPLPTANZ-OCCSQVGLSA-N 316.361 -0.094 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 863873445 CTEHWSJDQLHGDH-GJZGRUSLSA-N 318.182 -0.962 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C[C@@H]2CCCO2)CC1 864536378 BXCZGUGDUKTCLF-HNNXBMFYSA-N 318.182 -0.697 50 20 DBGD O=C(NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)N1CCOCC1 906446958 FHJKVMBOSCJPSX-KBVBSXBZSA-N 303.746 -0.012 50 20 DBGD O=C(CN1CCCC1=O)NN=C1C(=O)Nc2cc(O)ccc21 915953419 WDBKIWWYLPDOCT-UHFFFAOYSA-N 302.290 -0.213 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 920308328 BUFHZGTXQKVKTO-UHFFFAOYSA-N 324.355 -0.051 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cn(Cc2ccccn2)nn1 1116801877 NWTBHZQVDLMZPK-UHFFFAOYSA-N 304.310 -0.747 50 20 DBGD NC(=O)c1csc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1252815870 MSRWWPNOIRDHAV-ZETCQYMHSA-N 315.376 -0.268 50 20 DBGD C[C@@H](NCC(=O)NNC(=O)c1cccs1)c1nncn1C 1255273038 PZBZCNKFILXNIE-MRVPVSSYSA-N 308.367 -0.012 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1261461087 YONQEFQXFCAQAT-OIBJUYFYSA-N 310.285 -0.268 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN1C(=O)CNC1=O 1318372496 HWAMPFOTDSMESG-UHFFFAOYSA-N 306.278 -0.992 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1318828822 RRTLHZOIFNBFLT-UHFFFAOYSA-N 318.333 -0.570 50 20 DBGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1320520860 HDVDKOPPRSQNFL-UHFFFAOYSA-N 305.290 -0.833 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC2([S@](C)=O)CCC2)cn1 1321613658 AZTHQMSIMOTTAD-NRFANRHFSA-N 313.383 -0.335 50 20 DBGD COCCn1nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1=O 1326384229 WSIYEZYDTPIJSJ-ZJUUUORDSA-N 324.337 -0.924 50 20 DBGD CC(=O)NCC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1328803975 JJQBOEKEBXRRBI-UHFFFAOYSA-N 308.342 -0.388 50 20 DBGD C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)c1cnn(C)c1 1329208081 MRECDWBDCDDASE-MRVPVSSYSA-N 302.356 -0.894 50 20 DBGD C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)c1cnn(C)c1 1329208083 MRECDWBDCDDASE-QMMMGPOBSA-N 302.356 -0.894 50 20 DBGD C[C@]1(CNC(=O)C(=O)N[C@H]2CCNC2)C[C@@H]1Br 1334720101 BNLGIVUZHSGVRK-DKCNOQQISA-N 304.188 -0.246 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccccc1Cl 1346142541 VPPMUAIHQJBXHD-SECBINFHSA-N 317.754 -0.207 50 20 DBGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)c1cccc(F)n1 1351229233 CEZGQRTXZCTGER-MRVPVSSYSA-N 313.310 -0.070 50 20 DBGD CCN(CCO)NC(=O)c1ccc(-c2nn[nH]n2)cc1OC 1604319899 XXKLFDCJLMOATA-UHFFFAOYSA-N 306.326 -0.166 50 20 DBGD O=C(NNc1ncccc1C(=O)O)c1ccc(B(O)O)cc1 1605820852 IBNQBUXEILDONV-UHFFFAOYSA-N 301.067 -0.784 50 20 DBGD Cc1c(C(=O)NNC(=O)c2cccc(C(=O)O)c2)nnn1C 1611122554 UXNAGJSPFBUNHF-UHFFFAOYSA-N 303.278 -0.103 50 20 DBGD C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784093733 FNALRNFBNWFWJE-BJDJZHNGSA-N 314.769 -0.801 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccccc1C(=O)OC 49152623 JFCKTZQWUFRUQC-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD O=C(Cc1ccccc1)NCC(=O)NNC(=O)Cc1cc[nH]n1 106417042 DQUGTUFVUDIVRN-UHFFFAOYSA-N 315.333 -0.542 50 20 DBGD CC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 182327728 MIGPEOMUYGICTE-GFCCVEGCSA-N 304.350 -0.342 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(=O)n(C)n2)n1 198548257 CWJSRPVCZJYTAQ-UHFFFAOYSA-N 304.310 -0.945 50 20 DBGD CN1CCN(C(=O)CCNC(=O)NNc2cccnn2)CC1 265558642 LCEVMSVQZNHWHF-UHFFFAOYSA-N 307.358 -0.733 50 20 DBGD C[C@H](NC(=O)NNC(=O)COc1ccccc1O)C(=O)N(C)C 276779049 PNZACLPJBCHHGQ-VIFPVBQESA-N 324.337 -0.422 50 20 DBGD O=C(CN1CCOCC1)NNc1ccc(-n2ccnc2)nn1 286720699 SGGWVZIYRRPCLG-UHFFFAOYSA-N 303.326 -0.562 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cccc[n+]1[O-] 495208881 VCLRJJWKSKPDBC-UHFFFAOYSA-N 324.337 -0.004 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 727761411 BEIKCKOYAUXSNF-UHFFFAOYSA-N 307.354 -0.759 50 20 DBGD CC(=O)NN=C1NC(=O)[C@H](CC(=O)Nc2cnccn2)S1 730816489 WDBXWVSIOIOFDU-ZETCQYMHSA-N 308.323 -0.556 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(C)nc1-c1cccnc1 733359172 DUNOEUDEGXUELS-UHFFFAOYSA-N 302.338 -0.195 50 20 DBGD CCCCNC(=O)NNC(=O)c1coc(S(=O)(=O)NC)c1 755662074 VWLCOGLQEKYPPU-UHFFFAOYSA-N 318.355 -0.068 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN([C@H]2CCOC2)CC1 773481864 HWVOSVXVNHLEFB-LBPRGKRZSA-N 312.414 -0.414 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)cn1 775731110 COPNWSSXLPCOMH-SSDOTTSWSA-N 316.314 -0.192 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCCNC(=O)[C@@H]2C)cc1 788276463 ZJIXBKXZNXAUMZ-LBPRGKRZSA-N 318.377 -0.034 50 20 DBGD CCOC1(C(=O)NNC(=O)NCCCOC)CCOCC1 794798339 CNJAEEAWLJIJSH-UHFFFAOYSA-N 303.359 -0.061 50 20 DBGD O=C(NNC(=O)c1cnn[nH]1)c1ccnc(NC(=O)C2CC2)c1 796186834 LULIFFARLYGLAQ-UHFFFAOYSA-N 315.293 -0.377 50 20 DBGD CC(C)C[C@@H](CNC(=O)NNC(=O)[C@@H]1COCCO1)C(=O)O 818627840 NVFJDZILDMWXHZ-UWVGGRQHSA-N 317.342 -0.521 50 20 DBGD CC(C)C[C@H](CNC(=O)NNC(=O)[C@@H]1COCCO1)C(=O)O 818627842 NVFJDZILDMWXHZ-ZJUUUORDSA-N 317.342 -0.521 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 844264384 BYCMRGHGQHKEHM-SNVBAGLBSA-N 311.363 -0.319 50 20 DBGD NC[C@H]1OCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1 852865002 PDGKHNNBAVMMSM-VHSXEESVSA-N 304.310 -0.062 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)(C)C 858265318 UKJRPYNYMJGKPL-RKDXNWHRSA-N 300.359 -0.344 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 859804172 NFUQJGKIQQZQCF-AWEZNQCLSA-N 317.349 -0.205 50 20 DBGD O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 862455189 ZRLLKAPBDBQVGY-MWLCHTKSSA-N 316.317 -0.462 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862456419 XYNWUEQJEHBUAQ-SECBINFHSA-N 319.383 -0.983 50 20 DBGD CN(CCO)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1 863145880 NUODJGWIQSJGCF-ZDUSSCGKSA-N 304.350 -0.156 50 20 DBGD CCOc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)cc1 863458135 VNXCSQHIKINLDF-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD CCOC(=O)N1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 863879652 XGPQGYPGTXWAAV-GFCCVEGCSA-N 306.127 -0.673 50 20 DBGD CO[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCO1 878966501 GMOMZSVXMFPRFU-ZDUSSCGKSA-N 311.313 -0.109 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCS(C)(=O)=O 916737263 SVSJZYQNSZJGGL-UHFFFAOYSA-N 324.362 -0.162 50 20 DBGD Cn1cnc2cc(NC(=O)C(=O)NNC(=O)CCO)ccc21 1116623801 XKJWQLWJCIRFJO-UHFFFAOYSA-N 305.294 -0.958 50 20 DBGD O=C(CCc1cnccn1)NNC(=O)CNC(=O)c1ccco1 1321202478 MVBOWKVFYZWHBC-UHFFFAOYSA-N 317.305 -0.420 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)NCC(F)(F)F)cnc21 1325107178 HPVKXNXTJONAPK-UHFFFAOYSA-N 317.231 -0.130 50 20 DBGD COc1ccc(C(=O)NNC(=O)CCS(C)(=O)=O)cc1 1333802612 CNZIOAOTOHOMJL-UHFFFAOYSA-N 300.336 -0.109 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCCCN1 1579052395 JMWQQJDQQYJNDQ-VXGBXAGGSA-N 316.402 -0.100 50 20 DBGD CS(=O)(=O)c1ccc(NNC(=O)[C@@H]2CCO[C@@H]2CN)cc1 1579351696 QGJAHSTUPUGAOJ-VXGBXAGGSA-N 313.379 -0.103 50 20 DBGD Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)c1cn[nH]c1 1580621453 YECKQVWTXKLCOY-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1 1591275366 AWHDGJBLPSETHB-UHFFFAOYSA-N 316.274 -0.445 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2 1594164096 RBAVAFPFVWRLGJ-YVZVNANGSA-N 318.351 -0.931 50 20 DBGD COCCN(CC(=O)O)CC(=O)NNC(=O)c1cccc(C)c1 1599234364 MFRQPYXPSDWVNC-UHFFFAOYSA-N 323.349 -0.211 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)OCCc2ccccc21 1604577010 DSZQEOBVNUMUFM-AWEZNQCLSA-N 307.306 -0.111 50 20 DBGD COc1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)n2C)n1 1605338344 KAAATFJWHGEFKQ-UHFFFAOYSA-N 315.297 -0.239 50 20 DBGD COCCn1nc(C(=O)NNC(=O)c2ccccc2)ccc1=O 198542193 AHTYGRHRHQTTPR-UHFFFAOYSA-N 316.317 -0.036 50 20 DBGD COc1ccnc(NNC(=O)NCCN2C(=O)CCC2=O)n1 265094213 NUXVUKPRSPRJMS-UHFFFAOYSA-N 308.298 -0.740 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CC(C)C)co1 270056073 SOLFWFIJKMIHTC-UHFFFAOYSA-N 303.340 -0.005 50 20 DBGD COc1cccc(C(=O)NNS(=O)(=O)C[C@@H](C)OC)c1O 282316329 YYUZFKHHAQUULD-MRVPVSSYSA-N 318.351 0.000 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)o1 288641157 XJDCSMQOINEBJS-UHFFFAOYSA-N 300.296 -0.614 50 20 DBGD CN(C)CCN1CCC(NCc2ccc(B(O)O)cc2)CC1 585017751 KCHPRHIDZKTHDF-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCB(O)O 585058975 VTVPPSORZMZNRH-UHFFFAOYSA-N 320.563 -0.863 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)c1ccccc1F 726865223 UTCHHVUGRQNXIW-UHFFFAOYSA-N 320.280 -0.473 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)Cc1cccnc1 731989433 CJRLPTJOWNPXAN-UHFFFAOYSA-N 317.305 -0.108 50 20 DBGD CCCN(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 736473022 WRDIDSRQFSBAPM-UHFFFAOYSA-N 317.353 -0.031 50 20 DBGD CS(=O)(=O)CC1(CNC(=O)NNC(=O)C2CCC2)CC1 752025412 XTLDKZILTYJVLC-UHFFFAOYSA-N 303.384 -0.058 50 20 DBGD O=C(NNC(=O)c1ccc(-n2cccc2)nc1)C(=O)NC1CC1 753278866 BHFZPJQADBLOLT-UHFFFAOYSA-N 313.317 -0.088 50 20 DBGD CS(=O)(=O)CCc1ccc(NC(=O)NNC(=O)CO)cc1 757749570 RIDNSMOCGDWIMP-UHFFFAOYSA-N 315.351 -0.581 50 20 DBGD COc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CO)c1 764428488 FQSDNLDQULNAIW-UHFFFAOYSA-N 301.686 -0.573 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCN(C)C1=O 772512169 ZHWREGNYNPBVJC-UWVGGRQHSA-N 313.354 -0.410 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 780710309 AYMJKMXXDIDGMU-JTQLQIEISA-N 320.415 -0.259 50 20 DBGD COC(=O)c1cccc(NNC(=O)C(=O)NCC(=O)N(C)C)c1 782699728 BHGPVEFKPGBJPG-UHFFFAOYSA-N 322.321 -0.879 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCCNC(=O)[C@@H]2C)c1 788279360 AJWDHUDPYNKQBO-LBPRGKRZSA-N 318.377 -0.034 50 20 DBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1ncncc1F 817066980 FAJUTQWYIRFRLV-MRVPVSSYSA-N 305.335 -0.367 50 20 DBGD CCNC(=O)N(C)NC(=O)c1nc(S(C)(=O)=O)ncc1C 831854469 XGUGFKFIVWBLDH-UHFFFAOYSA-N 315.355 -0.505 50 20 DBGD NCC(F)(F)CNC(=O)NNC(=O)COc1ccccc1O 841971872 ZDRNHDFCEREKQU-UHFFFAOYSA-N 318.280 -0.305 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](N2CCOCC2)C1 846942086 YYVMOYYIFBYDGX-QWHCGFSZSA-N 312.414 -0.271 50 20 DBGD NC[C@@H]1OCC[C@H]1C(=O)NNc1nc(-c2cccnc2)no1 852864922 MDLBRBQRPOISQX-ZJUUUORDSA-N 304.310 -0.062 50 20 DBGD CCCc1nnc(SCC(=O)NN(C)C(=S)NC)n1N 854921675 VWIHXGGBCHTPGK-UHFFFAOYSA-N 317.444 -0.496 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 854929618 NGNLFRBSWCQHDC-IUCAKERBSA-N 312.395 -0.371 50 20 DBGD Cc1[nH]ccc(=NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1Cl 860899228 UUSLENOIBUJTBI-MRVPVSSYSA-N 311.729 -0.103 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc2c(c1)OCO2 862463186 ZSBNJKMHJJKZLI-SCZZXKLOSA-N 319.317 -0.055 50 20 DBGD CC(C)(C(N)=O)N1CCN(S(=O)(=O)CCCCl)CC1 881961632 BVNRJWMYVDOSRZ-UHFFFAOYSA-N 311.835 -0.173 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 887140970 ZOUKJZNDWVSKSS-NSHDSACASA-N 315.395 -0.249 50 20 DBGD O=C(NN=C1CCN(CCN2CCOCC2)CC1)c1ncon1 901290135 PQBRHPFWJCFHGH-UHFFFAOYSA-N 322.369 -0.417 50 20 DBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)CC(C)C)CC1 916516961 QIDCICYWFQPWRK-UHFFFAOYSA-N 313.402 -0.427 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 919684144 YOQJACYYMWMMFU-UHFFFAOYSA-N 309.347 -0.098 50 20 DBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)C1CCOCC1 923053897 DRETTWWXGQLVME-UHFFFAOYSA-N 313.398 -0.081 50 20 DBGD O=C1CSC[C@@H](C(=O)NNC(=O)NC2CCCCC2)N1 929247062 XSAOXVQZVZSNHC-VIFPVBQESA-N 300.384 -0.119 50 20 DBGD Cn1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)nn2)n1 1253704283 WZULKCAFUHOEJQ-YWEYNIOJSA-N 301.266 -0.358 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1320119603 DRQWJSUDQMJOPM-SECBINFHSA-N 306.388 -0.746 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ncc(C)c(OC)c1C 1323454421 MOLVNSLKJPHUCT-UHFFFAOYSA-N 310.310 -0.290 50 20 DBGD CCC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCOCC1 1327686887 HBHQQQGFWFHERW-UHFFFAOYSA-N 312.370 -0.198 50 20 DBGD CC(C)NC(=S)NNC(=O)c1sccc1S(N)(=O)=O 1328072398 VRCGWUJMYOIPTI-UHFFFAOYSA-N 322.437 -0.087 50 20 DBGD C[C@H]1C(=O)CC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1(C)C 1329208450 QTOMXLSLUOGAKB-IUCAKERBSA-N 318.395 -0.180 50 20 DBGD C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331521900 UNMHNXCHZRYVMV-ONGXEEELSA-N 305.338 -0.378 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)C1CCOCC1 1336945663 QRWDFJUKCSPUQY-NWDGAFQWSA-N 315.370 -0.063 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 1590366052 VAROEFDCAWOWSU-UHFFFAOYSA-N 310.339 -0.105 50 20 DBGD O=C(NC1(C(=O)O)CCSCC1)c1cccc(B(O)O)c1 1601431191 UCRIYXSMYOPBTM-UHFFFAOYSA-N 309.152 -0.553 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccccc2C(=O)O)N1 1606559342 KSXSGSJYLJGYBH-JTQLQIEISA-N 320.305 -0.506 50 20 DBGD O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](B(O)O)C1 1607070182 MYINFJAXUVUEIZ-VIFPVBQESA-N 323.143 -0.896 50 20 DBGD C[C@@H]1CN(C(C)(C)CNC(=O)NNC(=O)C(=O)O)C[C@@H](C)O1 1609867503 MSMGXGYPBFORPV-RKDXNWHRSA-N 316.358 -0.711 50 20 DBGD C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1845178071 QSLOOQFJAHFJCM-RKDXNWHRSA-N 305.737 -0.141 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 269612336 FLWCVSQNXIIAGW-HNNXBMFYSA-N 305.334 -0.133 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1nnc(C2CC2)s1 273626468 PHJMPPXOIPYHOX-YFKPBYRVSA-N 305.385 -0.204 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc([N+](=O)[O-])cc1O 274647113 BJJKFHPMLCWJDV-JTQLQIEISA-N 311.250 -0.523 50 20 DBGD CS(=O)(=O)C1(CNC(=O)NNc2nc3ccccn3n2)CC1 279666067 MONXCRZYBOZFLP-UHFFFAOYSA-N 324.366 -0.067 50 20 DBGD O=C(COc1cc(F)cc(F)c1)NNC(=O)C(=O)NC1CC1 289397569 RYPOFQVZEGLJGV-UHFFFAOYSA-N 313.260 -0.230 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1COC(=O)N1 296011407 NOSQKPHTUFUEGT-NKWVEPMBSA-N 316.314 -0.845 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)CNc1ccccc1 298152190 NXGSRDJCMPTUNZ-UHFFFAOYSA-N 318.333 -0.215 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 370344432 XKPCVYNDIDZUQR-GFCCVEGCSA-N 305.334 -0.640 50 20 DBGD CCCNC(=O)NNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 496749285 SAQVOOXOALNLIP-UHFFFAOYSA-N 316.358 -0.291 50 20 DBGD Cn1cccc1C(=O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 497145365 KJHCXFBELYIDNR-UHFFFAOYSA-N 324.337 -0.120 50 20 DBGD Cc1ccc(NCCCNC(=O)c2ccc(B(O)O)cc2)nc1 584958453 YVQSIMVYVUJEAL-UHFFFAOYSA-N 313.166 0.302 50 20 DBGD CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584976759 SBKKCQYHSFJBMV-STQMWFEESA-N 311.118 -0.571 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN[C@@H](c2cccnc2)C1 584987622 XAZKPGYSADTNOJ-OAHLLOKOSA-N 311.150 -0.452 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H]1c1ncon1 584993551 ZSUGXHITXGIOHW-NSHDSACASA-N 305.074 -0.134 50 20 DBGD O=C1C[C@H](NCc2ccc(B(O)O)cc2F)[C@H]2CCCCN12 585042272 NSOANENCNPUIJN-UONOGXRCSA-N 306.146 -0.252 50 20 DBGD C[C@H]1C[C@H]1C(=O)NCCc1nc(-c2ccc(B(O)O)cc2)no1 585050933 QCHSSIIGIYUSQP-JOYOIKCWSA-N 315.138 -0.269 50 20 DBGD O=C(NCB(O)O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 585063073 RQODPDMISAVBSB-UTUOFQBUSA-N 304.159 -0.258 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@]1(C)CCOC1 748635941 UHRYJORGZHTYPR-MFKMUULPSA-N 303.359 -0.205 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCC1(C)OCCO1 760162741 KCGUICFGJGSIBN-JTQLQIEISA-N 319.358 -0.479 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)[C@H]2COCCO2)c1[N+](=O)[O-] 767993867 YTDDQCGFHFBQAX-SSDOTTSWSA-N 313.270 -0.943 50 20 DBGD COC(=O)c1cncc(C(=O)NNC(=O)c2cnn(C)c2)c1 774308398 SBUUJRFIOUXPEG-UHFFFAOYSA-N 303.278 -0.324 50 20 DBGD COC(=O)c1ccccc1CC(=O)NNC(=O)C(=O)NC(C)C 775647252 SVPWTUNGIVRDEK-UHFFFAOYSA-N 321.333 -0.312 50 20 DBGD CC(Cl)(Cl)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 777368342 URBOADXIVZHFDR-RXMQYKEDSA-N 318.182 -0.302 50 20 DBGD CCCCN1C(=O)c2ccc(C(=O)NNC(=O)CO)cc2C1=O 777781171 JDSZAQMEPLRYTH-UHFFFAOYSA-N 319.317 -0.164 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)c1cnn(C)n1 785683541 DOCVYADCDSFOLO-UHFFFAOYSA-N 305.294 -0.336 50 20 DBGD CNC(=O)NCCC(=O)OCC(=O)NNC(=O)c1ccccc1 795640152 MAQKKDMAMKNCOP-UHFFFAOYSA-N 322.321 -0.690 50 20 DBGD O=C(CC1CC1)NNC(=O)Cn1nnc2ccccc2c1=O 819114552 LFBYTBNCPVABBO-UHFFFAOYSA-N 301.306 -0.261 50 20 DBGD O=C(Cn1cc(C2CC2)cn1)NNC(=O)C(=O)N1CCCC1 824876926 HNPCJCOQFXBTCK-UHFFFAOYSA-N 305.338 -0.470 50 20 DBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1ccco1 825265620 DKYXEZCJARUDLT-SECBINFHSA-N 322.321 -0.832 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)Cn1cnc(C(=O)O)n1 832977061 BLLBPMACGWAKAR-UHFFFAOYSA-N 317.305 -0.325 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CCNC1 851672347 CWTMPCHZVHCPFL-QMMMGPOBSA-N 311.367 -0.830 50 20 DBGD O=C(NNC(=S)NCC1CCC1)[C@@H]1CCCS1(=O)=O 855093609 HKYVKVGNZMZXNA-VIFPVBQESA-N 305.425 -0.141 50 20 DBGD COC(=O)Nc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455252 NGQPWOZZPUJBNZ-SNVBAGLBSA-N 320.305 -0.096 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCOc2ccccc21 863461644 PLJMZHKWNXOYEZ-JTQLQIEISA-N 312.347 -0.255 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCN(CC(F)F)C1 869906650 YPJNGPSZMJAACA-SNVBAGLBSA-N 323.340 -0.226 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(N)=O)cc1C 916561630 ATNBJWQXTHZCMF-UHFFFAOYSA-N 307.310 -0.942 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ncn(C)c2Cl)cn1 1116085866 RMNXLQLFRFKLLM-UHFFFAOYSA-N 318.746 -0.570 50 20 DBGD Cc1coc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 1259177973 BLUBXCHZXLEABI-QMMMGPOBSA-N 303.340 -0.405 50 20 DBGD CC(C)NC(=S)NNC(=O)c1ccnc2c(C(N)=O)cnn12 1319769370 KZUJFSXJCGHTPW-UHFFFAOYSA-N 321.366 -0.655 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2cccnn2)cn1 1320355294 QJJOSELQIYVPFH-UHFFFAOYSA-N 322.350 -0.121 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F 1320846448 NTIVGNMXLPBRCT-UHFFFAOYSA-N 307.232 -0.065 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)CN1C(=O)CNC1=O 1322225167 RQNLWEOJZROGOM-UHFFFAOYSA-N 304.306 -0.682 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1nncc(N)c1Cl 1322654564 ALZLPFHZPFWRQP-RXMQYKEDSA-N 307.763 -0.164 50 20 DBGD CCc1ncc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1348422893 MDZOCZPKOOIHDC-LURJTMIESA-N 318.380 -0.706 50 20 DBGD C[C@@]1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)CNCCO1 1576350264 MZDBRYDYIYOYPC-ZDUSSCGKSA-N 313.379 -0.088 50 20 DBGD CS(=O)(=O)CC[C@H](N)C(=O)NNc1ncncc1Cl 1579341022 SEGBDBLHPZITJJ-ZETCQYMHSA-N 307.763 -0.665 50 20 DBGD Cc1cc(C(=O)NNC(=O)CN(C)C)cc(C)c1-c1nn[nH]n1 1591929181 NFQDDRSKMLUBCZ-UHFFFAOYSA-N 317.353 -0.194 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1 1602071959 DQMFSVNGRXJDEP-UHFFFAOYSA-N 309.250 -0.458 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1606291626 VAIZGOOAPZOAHV-UHFFFAOYSA-N 321.289 -0.810 50 20 DBGD O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)C(=O)N1CCCC1 1610674117 SEXNRTJXOIDOTP-UHFFFAOYSA-N 319.317 -0.303 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)C(=O)N1CCCC1 265017997 NHFRPAZVGQYFDJ-UHFFFAOYSA-N 320.349 -0.123 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cn1 265366991 YKYXNOSBRREZJJ-TVQRCGJNSA-N 323.378 -0.365 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 269722776 SATMYVFLTKWKJM-UHFFFAOYSA-N 321.337 -0.153 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 276490566 VGDYWBYNDFDPNT-UHFFFAOYSA-N 324.362 -0.896 50 20 DBGD Cc1cccc(C(=O)NNS(=O)(=O)N2CCOCC2)n1 279817986 ARSUTLNUWOEDMJ-UHFFFAOYSA-N 300.340 -0.799 50 20 DBGD COCCN(C)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 288534427 XCIMCTNAAHDMQZ-ZDUSSCGKSA-N 319.365 -0.284 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)[C@@H]2CCCO2)c(=O)c1 293883044 DPIVDKVKLCSSAM-NHYWBVRUSA-N 323.349 -0.766 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNc2ncncc2F)c(=O)c1 294693172 USARVBWERFDPNO-AWEZNQCLSA-N 321.312 -0.020 50 20 DBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 298693911 ZYNNMVPGBJVLLD-RYUDHWBXSA-N 316.321 -0.152 50 20 DBGD C[C@H](C(=O)NNC(=O)NC1CC1)N1C(=O)NC2(CCCC2)C1=O 363105400 VRXOAFPIXYIQEH-MRVPVSSYSA-N 323.353 -0.268 50 20 DBGD CC(C)(C)OC(=O)N[C@@H](C(=O)NNC(=O)CO)C1CCC1 496362926 NTUZGZPRQKFDSS-SNVBAGLBSA-N 301.343 -0.181 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN1CC(C)(C)O 584979121 LHOVVETVBGFHKX-GFCCVEGCSA-N 320.198 -0.716 50 20 DBGD CC(C)(C)N1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1=O 584999507 BZFYVJYXISBMCS-LBPRGKRZSA-N 322.145 -0.365 50 20 DBGD C[C@@H]1CCN(C(=O)c2nc(-c3cccc(B(O)O)c3)no2)C1 585051867 FTOKDORCVLEYTC-SECBINFHSA-N 301.111 -0.102 50 20 DBGD CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCB(O)O)cc1 585053816 DCNXKXMAHMVDTF-UHFFFAOYSA-N 314.172 -0.039 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCCCCl 696857930 XZICVPJQGUZYGJ-BDAKNGLRSA-N 319.832 -0.263 50 20 DBGD O=C(CN1CCC[C@H](N2CCNC2=O)C1)NNC(=O)C1CC1 733194436 RHQAATLGWVTROM-NSHDSACASA-N 309.370 -0.967 50 20 DBGD O=C(CCCn1ccccc1=O)NNC(=O)C(=O)N1CCCC1 735039551 IWTKBWHLABIZCR-UHFFFAOYSA-N 320.349 -0.602 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)c1cnn(C)c1 735445480 XDSSOXPZKUIQBO-UHFFFAOYSA-N 321.297 -0.315 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccccc2F)nn1 762964571 PUKNREGEUNEKFJ-QMMMGPOBSA-N 307.285 -0.068 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(F)ccc1F 779845642 RRVJCUFCHZHFCK-UHFFFAOYSA-N 323.277 -0.370 50 20 DBGD C=C[C@@H](NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)OC 799975955 OXLGYDJVCGAPNS-LLVKDONJSA-N 302.294 -0.376 50 20 DBGD Cn1cc(C=NNC(=O)Cc2cc(O)nc(S)n2)c(O)n1 814216862 GECISOOUIYJFSK-UHFFFAOYSA-N 308.323 -0.397 50 20 DBGD Cc1nc(CC(=O)NNC(=O)CNC(=O)c2cccs2)n[nH]1 825273267 GBPGYAFBAYDYKI-UHFFFAOYSA-N 322.350 -0.705 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1COC(C)(C)OC1 826903045 QXFHSTSTHIETOZ-WCBMZHEXSA-N 301.343 -0.107 50 20 DBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)OCC(F)(F)F)S1 856024377 TYNCSJXCTGXHGK-GSVOUGTGSA-N 314.245 -0.137 50 20 DBGD O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)[C@@H]1CCC(=O)N1 862448415 DKZHZZZOGSGPEV-FWYAXHSGSA-N 317.301 -0.146 50 20 DBGD O=Cc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862456462 YLHQPDLBKGIYNY-SNVBAGLBSA-N 305.290 -0.696 50 20 DBGD CN1CC[C@H](N2CCC(NS(=O)(=O)CCl)CC2)C1=O 867441822 VFSTXKSRWXWNEA-JTQLQIEISA-N 309.819 -0.203 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ncc3ccccn23)CC1 868120835 LFDFWCRDSQMGGT-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C1(c2ccccn2)CC1 913733961 CEAZLBLGQOGKGG-UHFFFAOYSA-N 302.334 -0.117 50 20 DBGD Cc1ccc(C(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)c(O)c1 917549415 XXPZSCVHEJBXQS-UHFFFAOYSA-N 316.317 -0.138 50 20 DBGD CCNC(=S)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 1116122729 FTDDEWRJZFLATH-UHFFFAOYSA-N 317.396 -0.146 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-n2ccnc2)nn1 1256692874 SYBYDAGPJDUNKZ-UHFFFAOYSA-N 324.304 -0.054 50 20 DBGD COC1(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)CCOCC1 1321953215 AOHWJTMHKYPRKR-SECBINFHSA-N 307.372 -0.778 50 20 DBGD COCCn1cc(CNC(=O)NNC(=O)c2cnn(C)c2)cn1 1339915795 YGWNHQJJWTTYAQ-UHFFFAOYSA-N 321.341 -0.593 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc(N2CCOC2=O)ccc1F 1342593443 XWYHFTXXCJUKSZ-UHFFFAOYSA-N 324.268 -0.112 50 20 DBGD COC(=O)N1CCC(CNC(=O)NNC(=O)c2cn[nH]c2)CC1 1348109718 BLFVFZVAKOPNAO-UHFFFAOYSA-N 324.341 -0.168 50 20 DBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1cccnn1 1349788844 UWQUEIGSSAAQGD-JOYOIKCWSA-N 304.354 -0.097 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C(=O)NOC)CC1 1352944488 JMOOVCWTEXXWGR-VIFPVBQESA-N 300.359 -0.678 50 20 DBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccnnc1 1593157408 MFIOMLIBDZKVLR-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)O)cc1 1601556250 TZJHTGXVYGKJDS-SNVBAGLBSA-N 321.289 -0.350 50 20 DBGD O=C(O)Cn1cc(C(=O)NNC(=O)Nc2ccccc2)nn1 1606331660 SZUGJFCHGPKNLS-UHFFFAOYSA-N 304.266 -0.171 50 20 DBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNC(=O)c1ccncc1 1608332241 ZZROICAPVDJPOO-JTQLQIEISA-N 320.305 -0.834 50 20 DBGD C/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783057319 SLWUIDPCXXLKKF-XXMQVSLVSA-N 316.785 -0.008 50 20 DBGD Cc1nnc(NNC(=O)COc2ccc([N+](=O)[O-])cc2)[nH]c1=O 11547932 WZSVXTBLWSMONP-UHFFFAOYSA-N 320.265 -0.096 50 20 DBGD O=C(CSc1nnnn1C1CC1)NNC(=O)c1ccccn1 41946742 UNJREJOOHXFNEV-UHFFFAOYSA-N 319.350 -0.044 50 20 DBGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)NC)ccc1C 56376857 NRBIKIMRRDPSQT-UHFFFAOYSA-N 300.340 -0.523 50 20 DBGD Cc1nc2n(n1)CCN(CC(=O)NNC(=O)c1ccccc1)C2 267358399 HQCGCPYRQZOVRE-UHFFFAOYSA-N 314.349 -0.137 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)c1cc(C)n[nH]1 270612599 GOVIXGNPUAWGFQ-UHFFFAOYSA-N 300.340 -0.225 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1F 275757781 FEBAZUYDJOWFSL-UHFFFAOYSA-N 318.330 -0.681 50 20 DBGD CCN1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1=O 279718219 UEEBWPZIXWGZTR-UHFFFAOYSA-N 305.338 -0.091 50 20 DBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)O1 282705112 PCTQMTQLSYOXTA-BREBYQMCSA-N 320.349 -0.228 50 20 DBGD COC(=O)N(C)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 286482435 VILJEDXARMKLOA-UUTMEEIUSA-N 307.306 -0.477 50 20 DBGD CC(=O)NNC(=O)C[C@H](CC(C)(C)C)C(=O)NNC(C)=O 289210829 WLHQMEGKAZYACA-SNVBAGLBSA-N 300.359 -0.237 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNc1ccc(Cl)nn1 290860860 DVCMKMKWWZJVKS-UHFFFAOYSA-N 322.778 -0.353 50 20 DBGD C=CCNC(=S)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 298273168 LKGPHHCFTMFJAO-AOOOYVTPSA-N 324.406 -0.157 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H]2[C@@H](CO)[C@@H]2C1 368335350 HZAKDSSLGXPSSB-FICVDOATSA-N 317.389 -0.145 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)COc1ccc(C#N)cc1 492632694 HPXKATWWFVAFLW-UHFFFAOYSA-N 320.305 -0.169 50 20 DBGD CCN1CCC(C#N)(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584963609 VVJMHTZJZMQFHH-UHFFFAOYSA-N 319.145 -0.387 50 20 DBGD CCOC1CC(O)(CNC(=O)c2cc(B(O)O)ccc2F)C1 584983420 WWGVYFGOCQNYJA-UHFFFAOYSA-N 311.118 -0.835 50 20 DBGD CNC(=O)CC[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584988815 FRDRUGMYEXUVQP-CQSZACIVSA-N 318.182 -0.113 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](N2CCOCC2)C1 584995292 LBGNLGKDCOEQMA-HNNXBMFYSA-N 318.182 -0.697 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@@H]3COC[C@H]3[C@H]2C1 585010563 UZKCZWFBXOOYKQ-BJDJZHNGSA-N 305.114 -0.530 50 20 DBGD CS(=O)(=O)c1ccc(CNCc2ccc(B(O)O)o2)s1 585036544 IFUBJWPCMQISEW-UHFFFAOYSA-N 315.181 -0.286 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccc(Cl)nn1 735688224 FEWUDIMPKMIRJA-SSDOTTSWSA-N 319.774 -0.003 50 20 DBGD CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cnn(C)c1 741809424 FWRYRVALIXIVGZ-MRVPVSSYSA-N 301.372 -0.412 50 20 DBGD Cc1cc(C(=O)NNC(=O)N(C)C)cc(S(N)(=O)=O)c1C 746520070 RHPUCTMNXFKQBQ-UHFFFAOYSA-N 314.367 -0.133 50 20 DBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)C(=O)N1CCCC1 748245914 UCHBKWDQHFNUME-WDEREUQCSA-N 313.354 -0.660 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(-n2ccnn2)c1 755424586 AKTADDWCHNUWDB-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2coc(S(N)(=O)=O)c2)o1 757646277 DHTZTDQJEMVXMM-UHFFFAOYSA-N 313.291 -0.097 50 20 DBGD CN1CCCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 758118413 XVDREIYAMMGNQZ-LLVKDONJSA-N 302.400 -0.056 50 20 DBGD Cn1ccnc1N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 760877482 VDJKHHVCPBHOQC-UHFFFAOYSA-N 322.413 -0.264 50 20 DBGD COC(=O)[C@H](COC(C)C)N(C)CC(=O)NNC(=O)C1CC1 767115093 CCIYMMJRRNNSOP-NSHDSACASA-N 315.370 -0.558 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)CCC1=O 772023346 ZCLHEAHONIYRHB-SFYZADRCSA-N 313.310 -0.987 50 20 DBGD COCCONC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 789352323 ADPISQDYQCOCHA-UHFFFAOYSA-N 321.297 -0.816 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnc(S)[nH]1 800693174 AUEDCXFRFIWART-UHFFFAOYSA-N 320.334 -0.716 50 20 DBGD C[C@H](CO)N(C)NC(=O)CCNS(=O)(=O)c1cccs1 823988989 YXYLLDYKMFWOSN-SECBINFHSA-N 321.424 -0.240 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 830240887 VLILZTSIDSBFJC-UHFFFAOYSA-N 301.347 -0.190 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCOC[C@H]2C(=O)O)cc1 832911783 MWSSVMBZHZBRHB-LBPRGKRZSA-N 321.333 -0.459 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1SC(=N)NC1=O 843973097 JDVIPFKSUPVYRU-ACZMJKKPSA-N 300.340 -0.885 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCc2nnnn2CC1 846231908 PDQHVHNAFZCNQI-NXEZZACHSA-N 308.342 -0.658 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)[C@@H]2CCCCO2)n1 848157198 DNYCMWYMHCYFTN-LBPRGKRZSA-N 309.370 -0.225 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)CC1 849310436 XOEFPQLJBCFBRS-NSHDSACASA-N 321.399 -0.468 50 20 DBGD CN(C)S(=O)(=O)NCCNC(=O)NNc1ccc(F)cc1 854107458 GQHWESLANJJMMD-UHFFFAOYSA-N 319.362 -0.152 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1 855096512 BXNSJGCULVDWGN-SFYZADRCSA-N 322.456 -0.392 50 20 DBGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449496 HAOHIKOXVUCYOH-VIFPVBQESA-N 322.277 -0.357 50 20 DBGD COCCOc1ncccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452385 KEBIPNOQRFULMV-SNVBAGLBSA-N 322.321 -0.854 50 20 DBGD Cc1ccccc1COCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862464222 VDQPWQYHGMIFAP-GFCCVEGCSA-N 305.334 -0.062 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 910179844 FUSMDVSVLCSXJP-XYNYFCMSSA-N 307.350 -0.863 50 20 DBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 910179845 FUSMDVSVLCSXJP-ZIIUWJBSSA-N 307.350 -0.863 50 20 DBGD CCCCNC(=O)NNC(=O)C1(S(C)(=O)=O)CCOCC1 1117740001 WWKMOJCQKAASJJ-UHFFFAOYSA-N 321.399 -0.289 50 20 DBGD O=C(NNC(=O)c1cc2ccccc2c(=O)o1)C(=O)NC1CC1 1322736718 ZJOWUUOUDBJZHX-UHFFFAOYSA-N 315.285 -0.167 50 20 DBGD C[C@@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)c1cn[nH]c1 1329175227 OQNDSBAVLKRNAI-NSHDSACASA-N 323.401 -0.620 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)N1CC[C@H](B(O)O)C1 1331826329 KGBDQSFMJJZXOW-JTQLQIEISA-N 312.156 -0.960 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1COC2(CCCCC2)O1 1337263506 NJOQLZQECCVNIR-VIFPVBQESA-N 315.326 -0.434 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@]2(CCOC2=O)C1 1341021138 RWVBFYGAAKTUBR-IMSIIYSGSA-N 311.338 -0.209 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1=CCCNCC1 1580551789 CDWBDFLBUQJCKI-UHFFFAOYSA-N 322.390 -0.065 50 20 DBGD COCCN(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1591421041 YJMPLMUSZKSXIP-UHFFFAOYSA-N 306.330 -0.717 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1)c1ccnc(-c2nn[nH]n2)c1 1593158705 ZQBFCOCGYQFIRC-VIFPVBQESA-N 319.350 -0.082 50 20 DBGD O=C(CCO)NNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F 1606524215 QGCCNAZDVYNBCI-UHFFFAOYSA-N 309.261 -0.459 50 20 DBGD CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)NCC(=O)O 1606667922 DQTJOCJWJATCJJ-QMMMGPOBSA-N 311.360 -0.734 50 20 DBGD O=C(O)CCS(=O)(=O)NNC(=O)[C@H]1Cc2ccccc2O1 1608732673 FLDGDOMCQHRHBX-SNVBAGLBSA-N 314.319 -0.585 50 20 DBGD COC(=O)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21 1609292230 YHHHRFWGCWPFCO-UHFFFAOYSA-N 315.293 -0.409 50 20 DBGD Cn1cnn(CC(=O)NNc2cccc(F)c2C(=O)O)c1=O 1610611859 CZXBSTWZPZHRKZ-UHFFFAOYSA-N 309.257 -0.438 50 20 DBGD CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792900231 WQCKXIVXZGOXAV-JXUBOQSCSA-N 304.774 -0.047 50 20 DBGD COCCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842771518 GJKRRYAERVTPBW-JTQLQIEISA-N 304.774 -0.174 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cnccn1 11530895 MZOFOXLYSQFSLM-UHFFFAOYSA-N 305.319 -0.271 50 20 DBGD O=C1CCC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)N1 270189488 BUHMKCJXYVMBGC-JOYOIKCWSA-N 319.317 -0.358 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 270426500 LQYYVHYJKCBGRS-OAHLLOKOSA-N 320.349 -0.490 50 20 DBGD COc1cccc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 272361483 FKBKOZMTUGARBP-QMMMGPOBSA-N 300.340 -0.097 50 20 DBGD CCN1CCN(CC(=O)NNc2ncccc2F)C(=O)C1=O 285901074 HNNQTMRBIJVPBG-UHFFFAOYSA-N 309.301 -0.646 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)N1 302682581 ANPSVZLVSBPOSP-ZCFIWIBFSA-N 315.127 -0.183 50 20 DBGD O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(B(O)O)cc1 584938085 VWDUKDKJUFUUDA-NSHDSACASA-N 316.088 -0.267 50 20 DBGD C[C@H](CCN1CCOCC1)NC(=O)c1cccc(B(O)O)c1 584944307 KEJATVIUSZUDBP-GFCCVEGCSA-N 306.171 -0.793 50 20 DBGD C[C@@H](CCn1cncn1)NC(=O)c1ccc(B(O)O)c(F)c1 584960155 IVBNSYZNNFAXIJ-VIFPVBQESA-N 306.106 -0.694 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CN3CCCC[C@@H]3CO2)c(F)c1 585035650 WKBOPMGUJHPMNF-HUUCEWRRSA-N 322.189 -0.152 50 20 DBGD Cc1cc2c(cc1S(=O)(=O)N1CC[C@H](B(O)O)C1)OCO2 585055530 AOSDHXJTRMLYPV-VIFPVBQESA-N 313.140 -0.039 50 20 DBGD O=S(=O)(N1CCc2ccccc2C1)N1CC[C@H](B(O)O)C1 585058052 RTNLVVYEPTYOBA-ZDUSSCGKSA-N 310.184 -0.162 50 20 DBGD O=C(NCCCN1C(=O)CNC1=O)NNC(=O)C1CCCC1 731119156 YFIJHPXEGJLZDW-UHFFFAOYSA-N 311.342 -0.551 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 748241401 ZLQSVKKRHPCHMR-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD CCCN1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 749561890 HSASFZILRHCCDS-QWRGUYRKSA-N 317.411 -0.557 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nc1 758046307 HHHIOZOVUMCLKI-QMMMGPOBSA-N 300.340 -0.911 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 769767477 MKUNFBSSMZODLO-MRVPVSSYSA-N 319.456 -0.365 50 20 DBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 777136756 AMDBKBKAEZJISH-DTWKUNHWSA-N 322.431 -0.762 50 20 DBGD COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)NNC(=O)C(C)(C)C 796513192 VCPWDWUYQGHOBU-IUCAKERBSA-N 303.334 -0.235 50 20 DBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)c1c(C)nc2ccccn12 814271006 TVEKKJKZMNYFAB-VIFPVBQESA-N 318.337 -0.279 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CC1 819115001 YZFBCAMQZBKFHO-SNVBAGLBSA-N 305.400 -0.102 50 20 DBGD Cc1cccc(F)c1NNC(=O)CNS(=O)(=O)N(C)C 832357251 OALCCQHGDADNST-UHFFFAOYSA-N 304.347 -0.027 50 20 DBGD Cc1csc(CC(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)n1 839408279 ACPLMBNFFNNNSM-UHFFFAOYSA-N 321.362 -0.458 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21 841999227 DMEKJBSEQWKMLT-IMRBUKKESA-N 304.350 -0.249 50 20 DBGD Cc1cc(C)nc(NNC(=O)Cn2nc3n(c2=O)CCCC3)n1 845141201 NXUJEWMDPFXLTI-UHFFFAOYSA-N 317.353 -0.069 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](C(=O)O)C(C)C 848591232 QTGUFGBUOPWZRR-ZJUUUORDSA-N 319.358 -0.275 50 20 DBGD Cc1nc2ccnn2cc1C(=O)NNC(=O)N1CCN(C)CC1 854381385 JEOBMKAEFKJNKO-UHFFFAOYSA-N 317.353 -0.360 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNc1ncc(Cl)cn1 857728956 FPXJUCRCRFJISY-UHFFFAOYSA-N 307.763 -0.145 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCn1cnc2ccccc21 863459060 KBPGRXHCJHLVOW-UHFFFAOYSA-N 324.362 -0.382 50 20 DBGD C#CCCCC(=O)NNC(=O)CCN1CCCS1(=O)=O 887141642 BZPGPFNWKGXSKC-UHFFFAOYSA-N 301.368 -0.637 50 20 DBGD COC[C@@H](C)NC(=S)NNC(=O)[C@H](C)CN1CCOCC1 916117896 NVSDPOOIZAZBDA-GHMZBOCLSA-N 318.443 -0.515 50 20 DBGD COC[C@H](C)NC(=S)NNC(=O)C(=O)Nc1ccccn1 1116260685 CKLDOHDZNYZFDB-QMMMGPOBSA-N 311.367 -0.450 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc(NC(C)=O)ccc1OC 1116627643 UXHAKHYJBSAZBE-UHFFFAOYSA-N 324.293 -0.021 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCc2cc(O)ccc2C1 1116826042 WBPJMHCUOXHOAH-JTQLQIEISA-N 307.306 -0.247 50 20 DBGD C[S@](=O)C1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 1116910884 LVSXAEHKGMISAH-OVWNDWIMSA-N 323.440 -0.722 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NNc2cccnn2)CC1 1320924788 NEWMJHOYIDJOIF-UHFFFAOYSA-N 313.383 -0.019 50 20 DBGD CC(CN1C(=O)CCC1=O)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1321093917 GBRVMRIANDECTO-VIFPVBQESA-N 315.351 -0.938 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cnccc1SC 1321668082 UUTVEUQYGIZALY-UHFFFAOYSA-N 312.307 -0.938 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2ncn(C)n2)c1 1324185466 FUFOZXZVRXRERW-UHFFFAOYSA-N 303.282 -0.757 50 20 DBGD C[C@@H](C(=O)NNC(=S)NCC1CCC1)N1C(=O)CCC1=O 1328355817 BKBSMFJGOPOKPT-QMMMGPOBSA-N 312.395 -0.181 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)C[C@H]1Br 1331205200 PDTHODGWBBMFPF-UOKLYIGXSA-N 316.199 -0.151 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C2CC2)n1 1331802236 BGMNYHKCFQIBFL-JTQLQIEISA-N 303.322 -0.298 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNC(=O)c1cccc(Cl)c1 1337811771 KYRWDOHFZFHQEI-UHFFFAOYSA-N 310.697 -0.347 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@]2(CCOC2=O)C1 1341021140 RWVBFYGAAKTUBR-RBZYPMLTSA-N 311.338 -0.209 50 20 DBGD Cn1nnc2c(C(=O)NNC(=O)Cc3cc[nH]n3)ccnc21 1344658068 WLCGWKFBYGJOTB-UHFFFAOYSA-N 300.282 -0.910 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@H]3CCOC3)nc21 1347176543 LRIHWOHIMSTCDC-SSDOTTSWSA-N 307.314 -0.269 50 20 DBGD Nc1cnnc(NNC(=O)[C@@H]2CCc3nnnn3CC2)c1Cl 1349552595 BXSKZAJFNRVGEA-ZCFIWIBFSA-N 323.748 -0.206 50 20 DBGD N[C@H](CO)C(=O)NNC(=O)c1ccc(F)cc1Br 1574264443 QWACIOZYBLQGFC-MRVPVSSYSA-N 320.118 -0.331 50 20 DBGD CCn1nc(C(=O)NNC(=O)[C@H](C)NC)c2ccccc2c1=O 1578359227 DMVCEYLFBWYCQZ-VIFPVBQESA-N 317.349 -0.215 50 20 DBGD NCCN1CCC[C@@H](C(=O)NNc2ncc(Cl)cn2)C1=O 1580311210 KEQOQCLHUJKPCO-VIFPVBQESA-N 312.761 -0.230 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc2c1CNC2 1580736179 NFUAKEZDZCZDPJ-SNVBAGLBSA-N 323.374 -0.515 50 20 DBGD COC(=O)C(=O)NN[C@H](C(=O)OC)c1cccc(C(=O)O)c1 1598684661 MBDYPNIHOLFAQS-VIFPVBQESA-N 310.262 -0.607 50 20 DBGD NC(=O)C(=O)N/N=C1\C(=O)Nc2c1cccc2C(F)(F)F 17645838 GLZRICGCUKTOGD-UHFFFAOYSA-N 300.196 -0.037 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 54062504 LEVZDKXQNIIHKG-GFCCVEGCSA-N 322.321 -0.707 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1CCCC1=O 60795610 GHQFGWYTAMJMFC-UHFFFAOYSA-N 324.362 -0.752 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)n(C)n1 111544325 RZIZNCJBLIKYOA-VXGBXAGGSA-N 323.397 -0.011 50 20 DBGD NC(=O)COc1ccccc1C(=O)NNC(=O)NCC1CC1 139373309 LMNIYBITFIPBGK-UHFFFAOYSA-N 306.322 -0.095 50 20 DBGD CN(C)CC(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1 265083030 QTPLKKCOEYMEDK-UHFFFAOYSA-N 310.329 -0.345 50 20 DBGD O=C(NCc1ccc(O)c(F)c1)NNC(=O)C(=O)N1CCCC1 265788040 LOBZZGAOPUYJDP-UHFFFAOYSA-N 324.312 -0.016 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 276672312 VCPZXDYQOMNNBU-NEPJUHHUSA-N 320.349 -0.454 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nnc2n1CCC2 584933530 DFJPABRTQBLQNB-MRVPVSSYSA-N 318.117 -0.466 50 20 DBGD CC(C)C[C@@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584944207 BQVSQHPFEXZPHE-CQSZACIVSA-N 310.134 -0.475 50 20 DBGD CC(C)NC(=O)C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584952887 PXBGWTDNQIEDOQ-VIFPVBQESA-N 310.134 -0.462 50 20 DBGD CC(C)[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584980825 MCDQJHBQSAQWTH-CQSZACIVSA-N 308.162 -0.082 50 20 DBGD O=C(Nc1ccn(C[C@H]2CCOC2)n1)c1ccc(B(O)O)cc1 584990806 LGWGKSNQEBGMCO-LLVKDONJSA-N 315.138 -0.148 50 20 DBGD O=C(NC[C@H]1CCCN1CCCO)c1ccc(B(O)O)c(F)c1 584995810 RQXAJUXPUDXDDX-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CC[C@@H](B(O)O)C1 585057326 RDHYHZFLYXIHIL-RXMQYKEDSA-N 313.066 -0.334 50 20 DBGD Cc1nnc(S[C@H](C)C(=O)NNC(=O)CC(C)C)n1N 734979264 AHYOOUXNSKJTJD-SSDOTTSWSA-N 300.388 -0.026 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnnn1CCN(C)C 735414823 UHWNBIVCHLZGML-QMMMGPOBSA-N 315.403 -0.727 50 20 DBGD NC(=O)C[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1 747500155 HNHMMVDCIVXASM-LBPRGKRZSA-N 319.365 -0.048 50 20 DBGD Cn1ccc(C=NNC(=O)CSc2nnc(O)nc2O)c1 749860245 VDLVLCJAUHUNPD-UHFFFAOYSA-N 308.323 -0.136 50 20 DBGD CSCCNC(=S)NNC(=O)CCN1CCOCC1 752731461 XKIPWVRFEYMNNZ-UHFFFAOYSA-N 306.457 -0.433 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)o1 752779949 WEYHGPDJSBUVSS-UHFFFAOYSA-N 316.277 -0.566 50 20 DBGD CC(C)CNC(=O)N1CCC[C@H](CC(=O)NNC(=O)CO)C1 753439986 VXPAGKYITYLJOD-LLVKDONJSA-N 314.386 -0.406 50 20 DBGD CC1=C(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCO1 755645370 OSOSWDAXWAKFCG-SECBINFHSA-N 317.367 -0.412 50 20 DBGD COCCC[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758046723 JNUYHKYLTDHRQW-DTWKUNHWSA-N 309.388 -0.866 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN1CCOCC1 772243357 WSGOCZODBBSQFW-NSHDSACASA-N 315.370 -0.556 50 20 DBGD O=C1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCN1 826479058 PPMISZUSDNCTQQ-VIFPVBQESA-N 301.310 -0.164 50 20 DBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 836320172 YRDNEHBWPHVLPE-QWRGUYRKSA-N 312.370 -0.105 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CC(=O)N(C2CC2)C1 836348121 BEHUQZXITJCVMH-ONGXEEELSA-N 310.354 -0.351 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 843652207 IPFWWSXXHNXQFN-NXEZZACHSA-N 318.395 -0.226 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](C2OCCO2)C1 863872266 PHJMLOMDQIAFQJ-GFCCVEGCSA-N 305.139 -0.409 50 20 DBGD OB(O)c1cccc(CNC[C@H]2COC3(CCOCC3)O2)c1 863891536 SEABTNYDHRWLHA-AWEZNQCLSA-N 307.155 -0.622 50 20 DBGD C[C@@]1(CNS(=O)(=O)N2CCNCC2)C[C@@H]1Br 923657778 AAJYMPCXFGWZON-IUCAKERBSA-N 312.233 -0.101 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)N3CCOCC3)nn2c1 1118637136 ZSLRUMPUDDMHQN-UHFFFAOYSA-N 305.298 -0.881 50 20 DBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)c1cnn(C)c1 1318921463 VQSCUDHPDOWEQL-JTQLQIEISA-N 310.358 -0.915 50 20 DBGD COCc1nnc(-c2cccc(C(=O)NNC(=O)CO)c2)o1 1320265375 ITTRVEIYGQWICK-UHFFFAOYSA-N 306.278 -0.364 50 20 DBGD C=CCNC(=S)NNC(=O)c1cnc2n(c1=O)CCS2 1321414437 HORAPXHHTWYNET-UHFFFAOYSA-N 311.392 -0.356 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCN(C)Cc1ccccc1 1323433647 RUNRWXJRUJRJGX-UHFFFAOYSA-N 308.338 -0.378 50 20 DBGD NC(=O)C1(NCC(=O)NNC(=O)c2ccccc2)CCOCC1 1327549815 UTRYWGYFXAADLG-UHFFFAOYSA-N 320.349 -0.928 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1332158083 RAAZPNKVLPRBFC-IONNQARKSA-N 310.285 -0.268 50 20 DBGD COc1ccc(C(=O)NNC(=O)C2=NN3CCCN=C3N2)cc1 1333767434 UTBDMESNARNJIG-UHFFFAOYSA-N 316.321 -0.565 50 20 DBGD Cc1nn(C)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-] 1346069979 YANNNYZAOIXSKX-HTQZYQBOSA-N 311.298 -0.177 50 20 DBGD NC(=O)c1ccc(NNC(=O)COCc2ccccn2)nn1 1353556683 VZULEFFASDYFEJ-UHFFFAOYSA-N 302.294 -0.370 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cscc1-c1nn[nH]n1 1593156246 PVUBDGHMVDHMSA-MRVPVSSYSA-N 308.323 -0.132 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 1601553103 UNOJRBXCVPAVHC-DSYKOEDSSA-N 305.381 -0.219 50 20 DBGD CN1CC[C@@H]1CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604855842 PDSQZQAYMXYVPD-SECBINFHSA-N 303.330 -0.408 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1606013537 ALALTUJHEIKVHF-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD O=C(COc1ccc(-c2nn[nH]n2)cc1)NNc1nc[nH]n1 1606571492 XSQPZKCFFNNGJE-UHFFFAOYSA-N 301.270 -0.493 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN[C@@](C)(CO)C(=O)O 1607878260 LXCCZOYAQKSFCL-HNNXBMFYSA-N 323.349 -0.890 50 20 DBGD CC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110423 SIZFYFWXVWAEBY-LMLFDSFASA-N 302.758 -0.187 50 20 DBGD C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795510808 BMBNZRCMRSXSIR-KAMPLNKDSA-N 321.780 -0.295 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1c(F)cccc1F 155657518 IJAXPZNSVVUQJE-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD CC(C)NS(=O)(=O)CCNC(=O)NNc1cccnn1 265458511 DJBBYRJVXOQRLE-UHFFFAOYSA-N 302.360 -0.570 50 20 DBGD Cc1cccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1C#N 269646342 DXYCJOZDCHLOAJ-UHFFFAOYSA-N 324.362 -0.299 50 20 DBGD C[C@H](CC(N)=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 282977979 NCZKXNUDDSZCBP-KCJUWKMLSA-N 307.306 -0.515 50 20 DBGD CCOC(=O)NCCCC(=O)NNC(=O)N1CCN(C)CC1 497213298 XBCXXAQOVWGZQU-UHFFFAOYSA-N 315.374 -0.499 50 20 DBGD CC(C)(C)n1nnc(CC(=O)Nc2cccc(B(O)O)c2)n1 584911852 NTHDFAGSNIMBGA-UHFFFAOYSA-N 303.131 -0.711 50 20 DBGD CC(C)(C)NC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 584939321 JCAVPISWWFWAHU-UHFFFAOYSA-N 310.134 -0.460 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 584996665 NUSSBRWRYVNFEW-ZLDLUXBVSA-N 303.167 -0.011 50 20 DBGD OB(O)c1ccc(CNCc2nc([C@@H]3CCCO3)n[nH]2)c(F)c1 585045096 BFLKVWQFYRVRTI-LBPRGKRZSA-N 320.133 -0.235 50 20 DBGD O=C([C@@H]1COCCN1CC(F)(F)F)N1CC[C@@H](B(O)O)C1 585065238 WGHLLGMHTZGQPM-BDAKNGLRSA-N 310.081 -0.675 50 20 DBGD COC(=O)[C@@H]1C[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728161447 JHKHZLRJUZHZPV-KXUCPTDWSA-N 304.368 -0.712 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 733215415 QBTNWPDZUWJWRA-ONGXEEELSA-N 324.358 -0.255 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 757806394 SAFNGGWDOSSJAC-UHFFFAOYSA-N 305.254 -0.090 50 20 DBGD O=C(NNC(=O)c1ccnnc1)c1ccc(-n2cnnn2)cc1 761209711 AMDPWDPMWBYWDN-UHFFFAOYSA-N 310.277 -0.473 50 20 DBGD Cc1cccc(NC(=O)CSCC(=O)NNC(=O)CO)c1 777781930 SNHJGZICGCYIHK-UHFFFAOYSA-N 311.363 -0.194 50 20 DBGD O=C(NNc1ncccn1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 779593903 OTRRZGRLNFSIAD-WDEREUQCSA-N 314.305 -0.110 50 20 DBGD C[C@@H]1CN(C)C(=O)CN1C(=O)NNC(=O)Cc1cccnc1 782575656 OJIXMLCRGIZQLL-SNVBAGLBSA-N 305.338 -0.473 50 20 DBGD COC(=O)[C@@H]1C[C@H](O)CN1[C@@H](C)C(=O)NNC(=O)CC(C)C 788604721 VAKNUIZFOPQVDF-DCAQKATOSA-N 315.370 -0.823 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ncn(C)c1Cl 842591880 GYXJAJUWZSAVCV-BQBZGAKWSA-N 322.774 -0.192 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCc3cncn3C2)CC1 844136062 CIKVFXZVPCTMFD-LLVKDONJSA-N 306.370 -0.566 50 20 DBGD C[C@@H]1[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CCN1C 844136140 BLBNVEGBNBNSPQ-ZYHUDNBSSA-N 319.365 -0.701 50 20 DBGD CCc1[nH]ccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 846634401 UHFDFEGCYHWTFX-SSDOTTSWSA-N 302.356 -0.724 50 20 DBGD COC(=O)c1oc(S(=O)(=O)NNC(=O)N(C)C)cc1C 853024199 HEJLXMJFZCKNCR-UHFFFAOYSA-N 305.312 -0.161 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1cccc(F)n1 856423005 JYHJSZUGQFQUOU-WRWORJQWSA-N 324.312 -0.743 50 20 DBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1C 861805348 BPLJRNHCEXTDEP-UHFFFAOYSA-N 309.322 -0.138 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNC(=O)c1cc[nH]n1 862167731 AMFDVTXHRJXACD-MRVPVSSYSA-N 313.314 -0.944 50 20 DBGD O=C(CN1Cc2ccccc2C1=O)NNC(=O)[C@H]1CCC(=O)N1 862456577 ZLPFOBQQQFIZSF-LLVKDONJSA-N 316.317 -0.932 50 20 DBGD O=C(C[C@@H]1CSCCS1)NNC(=O)[C@H]1CCC(=O)N1 862457830 RTMXEDSFTPHGPM-HTQZYQBOSA-N 303.409 -0.349 50 20 DBGD O=C1COc2ccc(C=NNC(=O)[C@@H]3CCC(=O)N3)cc2N1 863152770 FRAPHZSRKDFEJW-VIFPVBQESA-N 302.290 -0.254 50 20 DBGD O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)CN1CCCC1=O 920827915 ZNBNLUAJEFITTP-UHFFFAOYSA-N 320.305 -0.093 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 1118858620 OKTCVMRGELIQQQ-RYUDHWBXSA-N 320.349 -0.017 50 20 DBGD CN(C)C(=O)c1ccccc1C=NNC(=O)CS(C)(=O)=O 1261833238 QVTXGXRXPNFLLO-UHFFFAOYSA-N 311.363 -0.117 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1317906477 KUCBRAKKXDMLAX-NSHDSACASA-N 311.363 -0.485 50 20 DBGD Cn1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)n1 1320357933 VTWKWLCXPZBGOV-UHFFFAOYSA-N 319.296 -0.112 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn(CC(F)F)c1 1320521076 LTQAJKQASGZTGI-UHFFFAOYSA-N 319.268 -0.729 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1OC 1325503429 JFJPRHDWXDOMSZ-UHFFFAOYSA-N 308.294 -0.710 50 20 DBGD O=C(NNC(=O)N1CCC(Cn2cncn2)CC1)c1cn[nH]c1 1334930403 KKMHYPHRKUUPJD-UHFFFAOYSA-N 318.341 -0.232 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](CCCN)c1ccccc1 1578766170 AXCMUOIYTOGYDG-NSHDSACASA-N 308.338 -0.030 50 20 DBGD Cc1ccccc1C1=NO[C@@H](C(=O)NNC(=O)[C@H]2CCN2)C1 1579795185 LUYSFRNLCOICAB-DGCLKSJQSA-N 302.334 -0.003 50 20 DBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)n1C 1592449560 TYQSUXSHDOCSMU-UHFFFAOYSA-N 300.286 -0.544 50 20 DBGD CC1(c2ccc(CNC(=O)NNC(=O)C(=O)O)cc2)OCCO1 1594071827 TWKBYFLGPKIQEB-UHFFFAOYSA-N 323.305 -0.179 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(C(=O)O)nc1 1594646252 XLTYULBLSMHSAX-PSASIEDQSA-N 307.306 -0.105 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)O1 1608240090 LPMAIISMSWEABM-VHSXEESVSA-N 311.269 0.000 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1COCCO1 32661455 MVKOEIAUQWSJDV-NWDGAFQWSA-N 308.290 -0.611 50 20 DBGD O=C(C[C@H]1C=CCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 48952861 WSIWNHHBDIPNQB-VHSXEESVSA-N 301.368 -0.140 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnns2)C[C@@H](C)O1 264840486 LBFAQUZYYLXULT-DTORHVGOSA-N 313.383 -0.202 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1F 266002285 FABYXQXMMCOONN-UHFFFAOYSA-N 317.342 -0.086 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-n2ccnn2)cc1 270436575 HDUGABXVFQHGTF-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD CCc1ccccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273368014 DQTHZOUASXJYON-SECBINFHSA-N 313.379 -0.052 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ncccc1F 287221544 FXVHCLOPEFIYGD-UHFFFAOYSA-N 305.335 -0.214 50 20 DBGD CCCc1nnc(S)n1CC(=O)NNC(=O)[C@@H]1CCCO1 294741109 VEHPKSSSMJKKCJ-QMMMGPOBSA-N 313.383 -0.154 50 20 DBGD COCCN1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 585001102 QYUHBJDTGFGCGL-CQSZACIVSA-N 306.171 -0.793 50 20 DBGD CC(C)[C@H](C(=O)N1CC[C@H](B(O)O)C1)N1CCCS1(=O)=O 585064604 RYEKXTYMJJNXBR-WDEREUQCSA-N 318.204 -0.878 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=S)NCC(N)=O 727067486 KRPIFIGKJDQYSC-SSDOTTSWSA-N 314.342 -0.426 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1csc(N)n1 728436233 DVZAVPSJNHRJMF-ZCFIWIBFSA-N 305.385 -0.497 50 20 DBGD COC(=O)[C@H]1CC12CCN(CC(=O)NNC(=O)C1CC1)CC2 733795832 JLKLGUGKVVNLKR-LLVKDONJSA-N 309.366 -0.181 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3CNC[C@H]3C2)cc1 744389760 ZISJMPNMQUZKCT-KBPBESRZSA-N 313.361 -0.530 50 20 DBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNc2ncccn2)C1 745828899 AMLRGJOOEIHRHZ-LLVKDONJSA-N 321.385 -0.310 50 20 DBGD CCOCC(=O)NNC(=O)NCc1cccc(OCC(N)=O)c1 745898759 AXQFDJWDHSYDMT-UHFFFAOYSA-N 324.337 -0.582 50 20 DBGD COC(=O)c1ccnc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1 770695837 UVOHMLWGXIFGHX-UHFFFAOYSA-N 318.293 -0.013 50 20 DBGD Cn1cc([C@H](CO)NCC(=O)NNC(=O)c2cccs2)cn1 778139030 UUARAUHHBIYMSZ-JTQLQIEISA-N 323.378 -0.434 50 20 DBGD O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)NC1CC1 788739489 VGJJRQAFXKMGMS-SNVBAGLBSA-N 304.306 -0.568 50 20 DBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@@H](C)OCCOC 788890446 FUBSEYTYFJWTSJ-NXEZZACHSA-N 318.374 -0.765 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)n1 799388602 VZCGWMSJDIBJEC-KCJUWKMLSA-N 305.338 -0.141 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 809795593 TXZZQNJWQZXMCZ-UHFFFAOYSA-N 322.383 -0.500 50 20 DBGD C[C@H](CO)N(C)NC(=O)COCCNC(=O)c1ccccc1 823935589 UGSFSQBLKNVTTD-GFCCVEGCSA-N 309.366 -0.223 50 20 DBGD Cn1c(NNC(=O)[C@H]2CCNC2=O)nc2ccccc2c1=O 827627273 OUPOMSSFEHRWAI-VIFPVBQESA-N 301.306 -0.487 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)c1cnn(C)c1 843973249 YAKRAKVOXAVTRR-GXSJLCMTSA-N 308.338 -0.045 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 844147988 YXSWCMTTXKHXJD-BXKDBHETSA-N 321.333 -0.306 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 845456379 XKYDVPFEAZOFSS-MRVPVSSYSA-N 304.314 -0.882 50 20 DBGD CC(C)(C)n1cnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860921176 PIXKOJPLBFJPQS-SSDOTTSWSA-N 309.330 -0.536 50 20 DBGD CN(C)Cc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863463209 FDXDBPDKIISSCT-UHFFFAOYSA-N 313.379 -0.446 50 20 DBGD CC(C)(C)[S@](=O)CCNC(=O)c1cc(B(O)O)ccc1F 863872412 GSYBNABOQDGPAI-OAQYLSRUSA-N 315.175 -0.218 50 20 DBGD O=C(NC[C@H]1COC2(CCCC2)O1)c1ccc(B(O)O)cc1 863877937 IXUKUFYZHZXTHZ-ZDUSSCGKSA-N 305.139 -0.218 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N[C@@H](CO)CN2CCCC2)cn1 908200868 BHDHPAUALDLXOJ-CNTYAEFGSA-N 303.366 -0.100 50 20 DBGD C[C@H](O)CN(C)NC(=O)CNS(=O)(=O)c1ccccc1F 910182395 XZGXZYTYLNTIOI-VIFPVBQESA-N 319.358 -0.552 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn[nH]c2)c1 917108960 VTGGAHRRGHXWJB-UHFFFAOYSA-N 308.319 -0.112 50 20 DBGD CC(=NNC(=O)CN1CCCC1=O)C1CCS(=O)(=O)CC1 1116689553 YBINVRLXAVOOQD-UHFFFAOYSA-N 315.395 -0.074 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccnc1-n1cccn1 1320379758 YYXRDCVGZIMCSN-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD Cn1ccnc(NNC(=O)CC2(CS(C)(=O)=O)CC2)c1=O 1322295885 GJHWWZADTFQHDJ-UHFFFAOYSA-N 314.367 -0.562 50 20 DBGD CN(C)N(C(=O)CNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1326110908 JEQQBZGULSUFRR-SNVBAGLBSA-N 303.384 -0.995 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)N1 1328717872 DOPCWOAXDRMIFR-MXWKQRLJSA-N 310.354 -0.493 50 20 DBGD CS(=O)(=O)c1ccccc1CC(=O)N1CC[C@@H](B(O)O)C1 1329216549 YGSOMFJGYHNYKB-LLVKDONJSA-N 311.168 -0.292 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc([C@H](C)O)s1 1343884090 HKBRJKPNODOUMT-BQBZGAKWSA-N 320.396 -0.416 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(CO)on1 1347422939 SIISYUBSRAZVGH-QMMMGPOBSA-N 316.339 -0.623 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](F)[C@H]1CCNC1 1579016130 AKBZOCOYQJRSDG-UWVGGRQHSA-N 306.407 -0.192 50 20 DBGD CSCCNC(=S)NNC(=O)C1([C@@H](C)N)CCOCC1 1579374147 IIMZRUZEGCHGCM-SECBINFHSA-N 320.484 -0.011 50 20 DBGD CC(=NNC(=O)CS(C)(=O)=O)c1ccccc1-c1nn[nH]n1 1588775760 GVEPPEMJFMXONT-UHFFFAOYSA-N 322.350 -0.249 50 20 DBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1589219020 GHJUYWRZFWCQAN-CLAHSXSESA-N 321.337 -0.511 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1603318554 QMVZESFBAPKLNK-UHFFFAOYSA-N 317.353 -0.032 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)n2C)O1 1605409942 GOXAXFDDXLLGKF-GMSGAONNSA-N 319.325 -0.466 50 20 DBGD COc1cc2c(cc1CNC(=O)NNC(=O)C(=O)O)O[C@@H](C)C2 1607191088 ASPZVMBBUVAVDJ-ZETCQYMHSA-N 323.305 -0.066 50 20 DBGD Cn1nc(C(=O)O)cc1NC(=O)NNC(=O)C1CCOCC1 1608143934 KJBMILFTXLFZEZ-UHFFFAOYSA-N 311.298 -0.302 50 20 DBGD Cc1nnc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nc1O 1609461731 NSMKGNYLTRZZFC-UHFFFAOYSA-N 302.258 -0.849 50 20 DBGD CC(C)(CS(=O)(=O)NNC(=O)Cc1cccnc1)C(=O)O 1609677870 IRURILDZIQUSFU-UHFFFAOYSA-N 315.351 -0.315 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CN1C1CC1 127534471 UQYHQAYQHYCDEG-GXSJLCMTSA-N 306.370 -0.011 50 20 DBGD C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CBr 227979960 KKYHXJVFQDLVQN-ZCFIWIBFSA-N 306.203 -0.213 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)o1 264103742 HYFYAUWPHRLEOI-YFKPBYRVSA-N 309.731 -0.368 50 20 DBGD C=CCOCCCC(=O)NNC(=O)CNC(=O)c1cccnc1 268823520 JMGYDEAVNZINJW-UHFFFAOYSA-N 320.349 -0.058 50 20 DBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1 276584911 JUVJTKYOGNPRRH-NXEZZACHSA-N 322.277 -0.611 50 20 DBGD CN(C(=O)c1cc(B(O)O)ccc1F)C1CCS(=O)CC1 584952180 SQDYOGQMLKCLIT-UHFFFAOYSA-N 313.159 -0.511 50 20 DBGD COCCc1noc(CN(C)C(=O)c2ccc(B(O)O)cc2)n1 584959112 XOKVDKFCUALETC-UHFFFAOYSA-N 319.126 -0.790 50 20 DBGD CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(B(O)O)c2)C1 584965272 OXWNKYGWZXJXQD-UKRRQHHQSA-N 302.183 -0.077 50 20 DBGD CCOC(=O)[C@H]1CSCCN1CC(=O)NNC(=O)C1CC1 733194410 PKNHCNQQPNZDGL-SNVBAGLBSA-N 315.395 -0.476 50 20 DBGD CC[C@H](C)C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 755620321 WUWZTAMHKATUPU-QMMMGPOBSA-N 313.383 -0.281 50 20 DBGD Cc1cc(=NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc[nH]1 757806961 AVVGFIVXTDAJCT-VIFPVBQESA-N 312.351 -0.601 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 764202930 CZYMIYDPJVAXQZ-UHFFFAOYSA-N 319.365 -0.392 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 775249570 VRABZUGCKMWCOW-UHFFFAOYSA-N 303.252 -0.378 50 20 DBGD O=C(CN[C@@H](CO)C1CCOCC1)NNC(=O)c1ccccc1 782528588 AXKVFPFVTDVFSV-AWEZNQCLSA-N 321.377 -0.175 50 20 DBGD CC(C)CCC(=O)NCC(=O)NNC(=O)N1CCN(C)CC1 788165242 AMDAHAPJTIQHOK-UHFFFAOYSA-N 313.402 -0.473 50 20 DBGD Cn1ccnc(NC(=O)NNc2cc(Cl)nc(N)n2)c1=O 789184471 LAXSSZVWAVQMEO-UHFFFAOYSA-N 310.705 -0.046 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)c(C)c1 804124737 RMIIVHZFYKTEJB-UHFFFAOYSA-N 301.324 -0.015 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 806853317 SPWMQXGPXWTNIQ-LLVKDONJSA-N 315.333 -0.003 50 20 DBGD COCCO[C@@H](C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 821692091 NYWXFWYBQYLCFR-QMMMGPOBSA-N 308.298 -0.039 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1 830052734 PDGZTZKWNAYNID-DZGCQCFKSA-N 313.398 -0.301 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)c(C)o1 832864903 WWKBJYGQUQZHFS-UHFFFAOYSA-N 307.266 -0.353 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncc(-n2ccnn2)c1 843655523 MQXPGAUEASFZKL-CABZTGNLSA-N 316.321 -0.152 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 846634561 ZJKVQOUBUNZPOA-CHWFTXMASA-N 315.395 -0.326 50 20 DBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)C(C)(C)C 847345018 AOTXUWSNPFMOOH-UHFFFAOYSA-N 314.367 -0.155 50 20 DBGD CC(C)[C@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(=O)O 848591309 BDEZOEKJHVIUDX-CABZTGNLSA-N 321.399 -0.276 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(O)(CO)CC1 852499461 MLOZWCBBVBBOAC-NSHDSACASA-N 301.387 -0.612 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CCn1ncn(C)c1=O)C1CC1 855097294 NPYUZIATLAARHB-MRVPVSSYSA-N 312.399 -0.734 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)c1cccc(Cl)n1 857324030 AITHUEAQCGUPQZ-SSDOTTSWSA-N 318.742 -0.812 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1ccncn1 857521899 SYVWCPZGPMTHMR-CQSZACIVSA-N 303.322 -0.159 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)nn1C 863400932 NMGCULGCDQKPHJ-UHFFFAOYSA-N 301.250 -0.439 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NN(C)C[C@@H](C)O 910169311 AOAWHBYVFPJPCR-VXGBXAGGSA-N 321.443 -0.076 50 20 DBGD C#CCN1CCC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 923594105 GITZGKBRUGRFED-LBPRGKRZSA-N 304.130 -0.667 50 20 DBGD O=C(NNC(=O)c1cnn(C2CCC2)c1)C(=O)N1CCCC1 931248448 UUKLEPYJLNLRBE-UHFFFAOYSA-N 305.338 -0.009 50 20 DBGD COC(=O)C1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 1116637191 OZBLHCMZIAABHM-UHFFFAOYSA-N 306.282 -0.535 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H](CO)CCF 1118278318 XSHMDDLMBALWEQ-QMMMGPOBSA-N 316.289 -0.940 50 20 DBGD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118884280 DEWHRRVHDXJHRK-OIBJUYFYSA-N 307.354 -0.054 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)NCC(F)(F)F 1123773281 GNTUVQRADVZLQA-JGVFFNPUSA-N 309.292 -0.733 50 20 DBGD CN(C)N(C(=O)[C@@H]1C[C@@]12CCOC2)[C@H]1CCS(=O)(=O)C1 1254882845 RUZGJPDUXSKXNY-GMXVVIOVSA-N 302.396 -0.095 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1318178423 ZTSPSNGNRMFLFK-UHFFFAOYSA-N 307.354 -0.036 50 20 DBGD CS(=O)(=O)CCC(=O)NNc1ccccc1S(C)(=O)=O 1319240833 PLOIRYJNXIOWQZ-UHFFFAOYSA-N 320.392 -0.032 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1325335562 LOELNJQQEYQKRN-IMTBSYHQSA-N 307.310 -0.454 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1332469685 MKPLIGXHZKOSAS-UWVGGRQHSA-N 308.400 -0.688 50 20 DBGD O=C(NNC(=O)N1CCC(N2CCOC2=O)CC1)c1cn[nH]c1 1334931620 UQMSIQIZYUTICI-UHFFFAOYSA-N 322.325 -0.319 50 20 DBGD COC(OC)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)o1 1342172107 BOEVSJKIYFMSKM-UHFFFAOYSA-N 311.294 -0.389 50 20 DBGD CC(=O)N[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(C)C 1588868221 FVBWJQDBJFUTIG-LLVKDONJSA-N 318.341 -0.135 50 20 DBGD Cc1c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)nnn1C 1591810585 WORVHCGZWJLIJB-UHFFFAOYSA-N 300.286 -0.544 50 20 DBGD O=C1C[C@H](CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CN1 1593385556 NAAYLEPNXJSLPQ-ZETCQYMHSA-N 317.313 -0.976 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccccc1CC(=O)O 1598684675 MMXLPEZTEFAXDK-UHFFFAOYSA-N 309.278 -0.683 50 20 DBGD O=C(NNC(=O)C(=O)O)NC1CCN(c2ccncc2)CC1 1601552871 LORZXQCKRIHZHU-UHFFFAOYSA-N 307.310 -0.535 50 20 DBGD O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3nnnn3CC2)nc1 1602385598 YFTUFAQHEDIOFQ-MRVPVSSYSA-N 317.309 -0.138 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1ncccc1C(=O)O 1604626088 JEIFXAVULQDQKI-UHFFFAOYSA-N 317.323 -0.716 50 20 DBGD C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783914243 SUZHEXHBLAGUGH-SMDDNHRTSA-N 316.785 -0.008 50 20 DBGD CC(C)CC(=O)NCCC(=O)NNC(=O)C(=O)N1CCCC1 265958101 PEPCHIXFPIBCIM-UHFFFAOYSA-N 312.370 -0.691 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1 266874530 YJTPZOBENTZHKR-GFCCVEGCSA-N 309.322 -0.751 50 20 DBGD C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C/OCC)CC1 269480901 ONCCDNTXKFTDJX-BUHFOSPRSA-N 318.377 -0.286 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)OC)[nH]1 293142764 JZFWVILKAMTNDW-UHFFFAOYSA-N 324.337 -0.133 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)C2=COCCO2)C[C@H](C)O1 298226262 AGSJVMFRSUCTPO-QWRGUYRKSA-N 313.354 -0.479 50 20 DBGD CCN(Cc1cnn(C)c1)C(=O)c1cc(B(O)O)ccc1F 584944290 QVVKVPKVGQJGPC-UHFFFAOYSA-N 305.118 -0.099 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H](C)S1=O 584980672 HHVUEXRHJPOYOC-IUCAKERBSA-N 313.159 -0.513 50 20 DBGD OB(O)c1ccc(CNCCc2nnc3n2CCCCC3)o1 585018420 VXTLSZIISHAQFN-UHFFFAOYSA-N 304.159 -0.390 50 20 DBGD CN(CCOCCN)CC(=O)NNC(=O)c1cccs1 699497778 GPZWUZMMBOACMZ-UHFFFAOYSA-N 300.384 -0.584 50 20 DBGD CCN(CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736532366 BOPJKQIIGBIPPY-UHFFFAOYSA-N 317.353 -0.031 50 20 DBGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)O1 743289718 BDDMYWSEHGFOMJ-VWYCJHECSA-N 318.395 -0.084 50 20 DBGD COc1ccc(C(=O)NNC(=O)N(C)C)cc1-n1cnnn1 781683609 FEIZZZURFWJGOX-UHFFFAOYSA-N 305.298 -0.413 50 20 DBGD CCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 797652793 PKCAIVNZQCWJIH-UHFFFAOYSA-N 315.355 -0.105 50 20 DBGD O=C(NC[C@@H]1COc2ccccc21)NNC(=O)C(=O)NC1CC1 812440435 ASZFFKYDJGYDQN-SECBINFHSA-N 318.333 -0.228 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2c(c1)nnn2C 843657127 OYXDSIZQHBVUNH-IONNQARKSA-N 304.310 -0.451 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CNc1ccccc1OC 856791947 GEHLRYPFKZPOMN-LBPRGKRZSA-N 311.338 -0.084 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1cccc(OCC(=O)O)c1 863189457 NEGORXWIOYRYRD-UHFFFAOYSA-N 314.319 -0.355 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2c(F)cccc2F)N1 863413979 PCGGDJBNOJPAQS-MRVPVSSYSA-N 319.289 -0.447 50 20 DBGD C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)CS(C)(=O)=O)C1 863463546 MPDIVQONFMIQHL-NXEZZACHSA-N 306.384 -0.226 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1scc2c1OCCO2 863467353 UCBIFWUSMZLQTI-UHFFFAOYSA-N 320.348 -0.675 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ncc3n2CCCC3)CC1 868120424 AKINTUOZIIILGL-UHFFFAOYSA-N 306.370 -0.179 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc([S@](C)=O)cc1 869912878 PYACOYOONMLSTR-NRFANRHFSA-N 314.363 -0.152 50 20 DBGD C#CCCCC(=O)NNS(=O)(=O)N1CCC(OC)CC1 901964852 RPHXSIVOQCQVTD-UHFFFAOYSA-N 303.384 -0.234 50 20 DBGD CC(C)CC(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920366278 LPCACSBWZSWNPT-UHFFFAOYSA-N 306.326 -0.131 50 20 DBGD CCOCCOCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 927534829 RRJNSFYSGFPCMW-MNOVXSKESA-N 303.359 -0.205 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cncn1-c1ccccc1 1318209748 IAHXKEVCSSRPQZ-UHFFFAOYSA-N 318.362 -0.534 50 20 DBGD C=CCN1CCC(NC(=O)NNC(=O)C(=O)NC2CC2)CC1 1318332713 AIXZEAFHRZESDO-UHFFFAOYSA-N 309.370 -0.754 50 20 DBGD CNC(=O)COc1ccc(NC(=O)NNC(=O)CCO)c(C)c1 1321584530 XAQNLOIOQAJPRQ-UHFFFAOYSA-N 324.337 -0.345 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N1CCC(OCC(N)=O)CC1 1323608524 RCJMSQVULIRDKX-UHFFFAOYSA-N 300.359 -0.260 50 20 DBGD CC[C@H](NC(C)=O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1330574845 CWZCGJPVCHPXAD-QWRGUYRKSA-N 305.400 -0.607 50 20 DBGD NC[C@@H](O)CC(=O)NNC(=O)c1cccc(OC(F)F)c1 1580231796 HYRLLEWLPVYOMZ-QMMMGPOBSA-N 303.265 -0.241 50 20 DBGD CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)CO 1589343044 GVDPGQAPMQUZQM-UHFFFAOYSA-N 320.309 -0.836 50 20 DBGD C[C@@H](CC(N)=O)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 1589800426 LSSIHCLZURLCDP-YFKPBYRVSA-N 324.732 -0.130 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cccn1CC(=O)O 1592622813 BLRXAPZGTKOTOI-GFCCVEGCSA-N 322.365 -0.009 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1600978896 VQKOSMHZCWMJGC-UHFFFAOYSA-N 313.291 -0.060 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2cnco2)c1 1601636224 WTMUJRDKXDTTCN-UHFFFAOYSA-N 318.245 -0.488 50 20 DBGD O=Cc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 263912885 WBAGLOIQGWFAHA-UHFFFAOYSA-N 319.317 -0.352 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 371979562 RVTUEGUHKWEEOL-VIFPVBQESA-N 316.358 -0.075 50 20 DBGD CCN(CC)C(=O)CCNC(=O)c1cc(B(O)O)ccc1F 584933305 ZLKBYFSEFZFONP-UHFFFAOYSA-N 310.134 -0.506 50 20 DBGD CC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584938333 DLOSYODYTDVRMD-LBPRGKRZSA-N 304.155 -0.645 50 20 DBGD CC[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](O)C(F)(F)F 584968313 KCFQNSPTUFKZFQ-VHSXEESVSA-N 305.061 -0.202 50 20 DBGD C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(B(O)O)cc1 584982856 MYVOWGHLIRKZGM-SNVBAGLBSA-N 311.168 -0.984 50 20 DBGD C[C@H]1CN(CCNC(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)CO1 585006155 IPGBMZMFDJQQQX-MNOVXSKESA-N 324.161 -0.656 50 20 DBGD CC(C)CN1CCO[C@@H](CNCc2ccccc2B(O)O)C1 585015862 BLBJKVUQNGPLEH-HNNXBMFYSA-N 306.215 -0.187 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1cc[nH]n1 726099190 HDDKNDLPHLURPU-UHFFFAOYSA-N 322.350 -0.268 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)NC2CC2)cc1 728313955 NHKVADYXIWDVED-UHFFFAOYSA-N 312.351 -0.631 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)c1ccncc1 735516669 VYWLIUPBZHKUCB-UHFFFAOYSA-N 302.294 -0.696 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc2c(c1)OCCO2 739453088 CNEHXDKVEUFLAJ-IUCAKERBSA-N 306.274 -0.061 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)C[S@@](C)=O)n1 753361231 ZUVKFTIEUXRRCQ-AOUSDQRYSA-N 315.399 -0.403 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)CC(F)(F)F 753416474 JBJMHLKRDNFGPX-UHFFFAOYSA-N 319.305 -0.242 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(C(N)=O)c1 755700258 WSBLLYCENQKEJS-MRVPVSSYSA-N 312.351 -0.827 50 20 DBGD O=C(N=c1cc[nH]cc1F)NNC(=O)[C@H]1CCS(=O)(=O)C1 760002634 SYBLCNKUEPAGIB-ZETCQYMHSA-N 316.314 -0.770 50 20 DBGD O=C(Cn1cc(CO)nn1)NNC(=O)c1ccccc1Cl 761754109 MFVBBAIGRQEWNO-UHFFFAOYSA-N 309.713 -0.115 50 20 DBGD O=C(NNS(=O)(=O)N1CCOCC1)NC1CCCCC1 765032514 WMOKLGADBAKBQU-UHFFFAOYSA-N 306.388 -0.300 50 20 DBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1ccncc1 765780019 CYUFYPUMEYWINC-NWDGAFQWSA-N 319.365 -0.131 50 20 DBGD Cc1cc(F)ccc1-n1cc(O)c(C(=O)NNC(=O)CO)n1 777781647 DSNUBSXHZPRNPF-UHFFFAOYSA-N 308.269 -0.221 50 20 DBGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)CO 777781682 HXALUDKBABGPSC-UHFFFAOYSA-N 316.321 -0.710 50 20 DBGD C[C@@H](NS(=O)(=O)CBr)[C@H]1CN(C)CCO1 782475405 ZVOUOUDWHVOQCX-HTQZYQBOSA-N 301.206 -0.023 50 20 DBGD CSSCCNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 807234733 SIYCSHMSCZXPHV-ZETCQYMHSA-N 304.397 -0.057 50 20 DBGD Cn1cnc(C(=O)NNC(=O)CNC(=O)c2cccs2)n1 810309454 WQANUJHCBZLPEZ-UHFFFAOYSA-N 308.323 -0.932 50 20 DBGD COc1cc(C)nc(NNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 827289461 SWBOGMQBEGEEPN-RKDXNWHRSA-N 324.341 -0.124 50 20 DBGD COC(=O)c1cccc(NNC(=O)C2=NN3CCCN=C3N2)c1 831893515 DFTFTLLROHSISQ-UHFFFAOYSA-N 316.321 -0.105 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 843651888 PPJSTCQCCWEGOX-HTQZYQBOSA-N 316.335 -0.131 50 20 DBGD COCc1cnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 861101933 PTWKACZNTTXGQV-ZETCQYMHSA-N 313.339 -0.279 50 20 DBGD COC(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1cccc(C#N)c1 863378761 JRAHBFZXYUHJBJ-YPMHNXCESA-N 316.317 -0.328 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ncccc2[N+](=O)[O-])C1=O 863895928 AIBFSCYQKSQBRM-UHFFFAOYSA-N 308.254 -0.673 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](O)CCc1ccccc1 869908731 VRWUVYATYVBKMF-ZDUSSCGKSA-N 310.350 -0.210 50 20 DBGD CN1CCO[C@H](C(=O)NNc2cnc3ccccc3n2)C1=O 907392454 UHVYMBLPWDVTHN-GFCCVEGCSA-N 301.306 -0.070 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)c1ccc[nH]1 1116059227 OFZPYNKEUSKHNH-QMMMGPOBSA-N 302.356 -0.218 50 20 DBGD Cc1nc(C(=O)NNc2cccc(F)n2)nn1-c1nc[nH]n1 1117309958 ZPDAGYVMEOCQTF-UHFFFAOYSA-N 303.261 -0.015 50 20 DBGD CCCNC(=O)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 1122097531 QIEQPSJPEJNFGX-NXEZZACHSA-N 300.359 -0.199 50 20 DBGD Cc1nn2cccnc2c1C(=O)NNC(=O)C(=O)N1CCCC1 1318178410 ZMGXCTWIYYVUMX-UHFFFAOYSA-N 316.321 -0.579 50 20 DBGD CCC(CC)NC(=O)C(=O)NN=Cc1cn(CC(=O)O)nn1 1319247321 ZSNFLIASFKVCOW-UHFFFAOYSA-N 310.314 -0.882 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H](C)N2C(=O)CCC2=O)nc1 1319528594 ISWCKHVIWMSNFS-QMMMGPOBSA-N 320.305 -0.151 50 20 DBGD Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NN(C)C(N)=O)c(C)c12 1320101999 PXWHIXROPVXIFF-UHFFFAOYSA-N 320.353 -0.147 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1C 1320233606 UZLQKLDQEQTFDT-UHFFFAOYSA-N 306.322 -0.149 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1320404038 WKPSKILPUFMVMZ-KTKRTIGZSA-N 306.322 -0.027 50 20 DBGD CNC(=S)N(C)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 1328417789 SFNSRBHAYWXEQX-UHFFFAOYSA-N 308.367 -0.659 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)S(C)(=O)=O 1333607401 VETDLSJVEOPOER-SSDOTTSWSA-N 318.330 -0.402 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1cccc(F)c1C(=O)O 1601264940 OYRIIAZLDNDZKI-QMMMGPOBSA-N 324.268 -0.045 50 20 DBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1847868997 JXGZFBSQAMJTEI-RHYQMDGZSA-N 316.833 -0.118 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@H]2CCOC2)n1 106886284 ZDZVXDHGXLTYDS-JTQLQIEISA-N 312.395 -0.138 50 20 DBGD CCN1C[C@@H](C(=O)NNC(=O)COc2ccccc2O)CC1=O 264426774 AATKHZCDGXVPTJ-JTQLQIEISA-N 321.333 -0.213 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)Cc1cccnc1 266703911 HIDQDLWWNGLRQO-UHFFFAOYSA-N 323.397 -0.077 50 20 DBGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)C1CC1 277123260 NWBBMMUIRUAXCI-MRXNPFEDSA-N 317.345 -0.049 50 20 DBGD COC(=O)COc1ccc(S(=O)(=O)NNC(C)=O)cc1 298838342 ANCBEHQJQHHPEM-UHFFFAOYSA-N 302.308 -0.432 50 20 DBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)C(=O)N1CCCC1 299475046 IICVVKVWYZHDCE-SECBINFHSA-N 322.321 -0.832 50 20 DBGD NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CBr)C1 374708977 DYKGIBSPZQALEH-ZCFIWIBFSA-N 321.218 -0.579 50 20 DBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)CC)CC1 493244792 QZSMTQYWMJZDPS-UHFFFAOYSA-N 308.360 -0.964 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494451189 GSSNWIZGQUIRCJ-LBPRGKRZSA-N 305.331 -0.944 50 20 DBGD CN(C)[C@H](CNC(=O)c1ccc(B(O)O)cc1)c1cnn(C)c1 584948431 MERRHEVEZMONMR-CQSZACIVSA-N 316.170 -0.867 50 20 DBGD Cc1c(CCNC(=O)c2ccc(B(O)O)c(F)c2)cnn1C 584960841 VUWHLBSYZXOWLF-UHFFFAOYSA-N 305.118 -0.480 50 20 DBGD C[C@@H](O)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)C1 584973747 GCUKZLSDOKINJA-GHMZBOCLSA-N 324.161 -0.967 50 20 DBGD C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cccc(B(O)O)c1 584982954 NSHXLULKAHSDMQ-JTQLQIEISA-N 311.168 -0.984 50 20 DBGD O=C(c1ccncc1)N1CC[C@H](NCc2ccc(B(O)O)o2)C1 585031475 VNPNMOIJQLHUBE-LBPRGKRZSA-N 315.138 -0.641 50 20 DBGD O=C1C[C@@](C(=O)N2CC[C@H](B(O)O)C2)(c2ccccc2)CN1 585063635 DPMHVLNCMIWFHE-WFASDCNBSA-N 302.139 -0.480 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)CCC1=O 728826379 DPSYQQDZIYMQFR-SECBINFHSA-N 314.301 -0.143 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccccc2C(=O)O)cn1 739022608 MYYJRWWBNMZTLQ-UHFFFAOYSA-N 324.318 -0.258 50 20 DBGD CCC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCOCC1 758057756 WMWVCOINUJOWNM-SECBINFHSA-N 321.399 -0.722 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)COCc2ccccc2)C1=O 773084783 ASLVOOAJQAMKTL-LBPRGKRZSA-N 305.334 -0.171 50 20 DBGD CC(C)C(=O)Nc1nc(CC(=O)NNC(=O)CO)cs1 777781683 HXMGHKKZLUTABX-UHFFFAOYSA-N 300.340 -0.580 50 20 DBGD COC(=O)c1ccccc1NNC(=O)[C@H](C)NS(C)(=O)=O 780733278 RHLWGABEIACAOQ-QMMMGPOBSA-N 315.351 -0.146 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ncncc2Cl)c1=O 781819799 LHLUQUORZOWBSE-UHFFFAOYSA-N 310.701 -0.866 50 20 DBGD COc1cccc(C2=NO[C@H](C(=O)NNC(=O)CN(C)C)C2)c1 792637472 GPKAJGYOOJNTRG-ZDUSSCGKSA-N 320.349 -0.103 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2ccc([N+](=O)[O-])n2)n1 794074742 FOHQUNUBXPCEFS-UHFFFAOYSA-N 304.266 -0.044 50 20 DBGD CCCc1nnc(S[C@H](C)C(=O)NNC(=O)CC)n1N 808052826 XELQFCDTRYFIDS-SSDOTTSWSA-N 300.388 -0.018 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1cc2n(n1)CCO2 810365858 YNDKOPNQQHGBCD-UHFFFAOYSA-N 318.289 -0.179 50 20 DBGD CC1=C(C(=O)NNc2ncncc2F)S(=O)(=O)CCO1 817082740 ZNFUFMAREDRVQF-UHFFFAOYSA-N 302.287 -0.265 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1cc(C)[nH]n1)C(C)=O 831419149 VVWPRWYYWBNVAM-SECBINFHSA-N 310.310 -0.362 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)[C@@H]1CCCCO1 844553871 ZTHJTFRNVAKFNM-JTQLQIEISA-N 323.353 -0.902 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1nc2ccccc2n1C 848379799 RMSHXUVRLTWWGG-UHFFFAOYSA-N 311.367 -0.044 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(C)ccc1S(N)(=O)=O 854922729 GMNUFFDEBNFSSF-UHFFFAOYSA-N 316.408 -0.277 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccnnc2)CCCC1 857291803 NJAJRPYTKSQAMX-UHFFFAOYSA-N 312.351 -0.405 50 20 DBGD C[C@@H]1CN(CCCNC(=O)NNC(=O)c2cn[nH]c2)C[C@@H](C)O1 858128050 ZKMHMEWMLQKYCI-GHMZBOCLSA-N 324.385 -0.147 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOc2cccnc2)N1 858220478 AORPDJHATGDHDQ-JTQLQIEISA-N 307.310 -0.931 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H](O)C23CCCC3)N1 858699988 BRPJODCNYZOLNK-ZJUUUORDSA-N 310.354 -0.615 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNc3ncc(F)cn3)CC2=O)cn1 860463793 ZLSZSJXAACYIFL-MRVPVSSYSA-N 319.300 -0.155 50 20 DBGD COc1cccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1OC 899570796 QNASEMBYAUROSD-SECBINFHSA-N 315.156 -0.059 50 20 DBGD Cc1ncc(CO)c(C=NNC(=O)CN2CCCC2=O)c1O 916359207 OUZFWJYMFWOUGR-UHFFFAOYSA-N 306.322 -0.340 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cn(C)c(=O)nc2O)c(O)c1 918339579 SJOKQQDWNYYCFJ-UHFFFAOYSA-N 318.289 -0.425 50 20 DBGD Cc1nn(C)c(C)c1CNC(=O)NNC(=O)C(=O)N1CCCC1 1116175841 OBETYJPSIUSITQ-UHFFFAOYSA-N 322.369 -0.510 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CN3CSCC3=O)nc21 1116320085 BLMSAABIGIMGQI-UHFFFAOYSA-N 323.338 -0.955 50 20 DBGD CC(C)[C@@H](C(=O)NNc1ccn(C)n1)N1CCCS1(=O)=O 1116852818 RQCRDRKYZJQWMU-NSHDSACASA-N 315.399 -0.077 50 20 DBGD Cn1cc(N2CC[C@@H](NCc3ccccc3B(O)O)C2)cn1 1119243170 MTADCEOWMCHRFO-CYBMUJFWSA-N 300.171 -0.532 50 20 DBGD O=C(CO[C@H]1CCOC1)NNC(=O)[C@H]1COc2ccccc2O1 1318972800 DJJKFAMIVKXTLF-GXFFZTMASA-N 322.317 -0.221 50 20 DBGD CCCCNC(=O)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319376116 SDFHEGLDGVKABX-UHFFFAOYSA-N 311.298 -0.113 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 1320223848 FCYWAHYUGWPRJP-SSDOTTSWSA-N 320.305 -0.098 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CCC(C(N)=O)CC2)n1 1321041733 ADYSXKDAOVXBBE-UHFFFAOYSA-N 305.338 -0.058 50 20 DBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)C3CC3)c2C1 1321884078 OOTFKPOCPSTCLT-JTQLQIEISA-N 319.365 -0.247 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc2c1COC2=O 1323515351 VGCXYXJNVIKYFR-UHFFFAOYSA-N 320.305 -0.012 50 20 DBGD NS(=O)(=O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)cs1 1329214552 HEXAYWVCQITPDL-ZETCQYMHSA-N 304.158 -0.916 50 20 DBGD Cn1cc([C@H](O)CNC(=O)NNC(=O)Cc2cccnc2)cn1 1329992453 WYFGCLKZFASMHJ-GFCCVEGCSA-N 318.337 -0.578 50 20 DBGD CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1351579652 OZTAVTNVYSKLAZ-UHFFFAOYSA-N 307.306 -0.252 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1590366037 UMYDJIAZXWMAPP-ZCFIWIBFSA-N 321.297 -0.703 50 20 DBGD Cc1c(C(=O)NNC(=O)c2ncon2)cccc1-c1nn[nH]n1 1591810397 SNQDRINGIBXRQN-UHFFFAOYSA-N 314.265 -0.367 50 20 DBGD Cc1cc(NNC(=O)c2coc(-c3nn[nH]n3)c2)nc(N)n1 1592054069 NVGXKACLWUGBFG-UHFFFAOYSA-N 301.270 -0.103 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)c1cccc(F)n1 1601001557 HFCPPESPXIMARE-UHFFFAOYSA-N 307.241 -0.273 50 20 DBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)[C@@H]1COCCO1)C1CC1 1601894204 YHXWCWJNXLEWHZ-UWVGGRQHSA-N 315.326 -0.767 50 20 DBGD CSCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1607399744 PMRZVOAPMMNPNK-UHFFFAOYSA-N 311.319 -0.280 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1609086320 ZPLPSANOARKNFY-UHFFFAOYSA-N 310.339 -0.168 50 20 DBGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1COCCO1 276516403 LMJSVJAUZAXUHD-JTQLQIEISA-N 310.266 -0.647 50 20 DBGD CN(C)CCOc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)ccn1 294699147 QVHLQKZDSPTLBV-LBPRGKRZSA-N 322.365 -0.038 50 20 DBGD C#CCO[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 295204926 PMIKXJLLRNWUSX-FRRDWIJNSA-N 311.382 -0.329 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 298128391 ASPAVLWSYXUBSX-JTQLQIEISA-N 321.333 -0.110 50 20 DBGD NC(=O)NC[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584931024 WREGLUIOVFVVCW-VIFPVBQESA-N 323.133 -0.974 50 20 DBGD N#CCCN(C[C@H]1CCOC1)C(=O)c1ccc(B(O)O)c(F)c1 584941460 COFKOLBUUWDCND-LLVKDONJSA-N 320.129 -0.102 50 20 DBGD CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584964373 HDGZWMIQRMIUKD-STQMWFEESA-N 304.155 -0.599 50 20 DBGD CCN1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C)C1=O 584973259 FEIISVBDJDDYHC-VIFPVBQESA-N 308.118 -0.802 50 20 DBGD O=C(NC1CC(N2CCOCC2)C1)c1ccc(B(O)O)c(F)c1 585003239 ISULAINAEYLEMC-UHFFFAOYSA-N 322.145 -0.902 50 20 DBGD CCN1CCN([C@@H](C)CNCc2ccc(B(O)O)cc2)CC1 585016133 SCVLYNYRSWTJBP-AWEZNQCLSA-N 305.231 -0.518 50 20 DBGD C[C@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CCCNC1=O 585054481 MHVBPMYIDUWIDF-AWEZNQCLSA-N 301.111 -0.416 50 20 DBGD Cc1oc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)O 738969736 PWUPBPMKSGZHEU-ZCFIWIBFSA-N 317.323 -0.326 50 20 DBGD COCCN1CC[C@@H](NC(=O)NNC(=O)CC(F)(F)F)C1 739033788 BXQLKIUZDZCZDJ-MRVPVSSYSA-N 312.292 -0.010 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1cnccn1 743412414 JASNQGWMFSWFBA-GAJNKVMBSA-N 317.305 -0.918 50 20 DBGD CCOc1ccccc1[C@H](CC(=O)NNC(=O)CO)NC(C)=O 753443836 CTTVOQXVIZFRJB-LBPRGKRZSA-N 323.349 -0.208 50 20 DBGD CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)cc1 753451852 JCOYYMWBHXWMPC-JTQLQIEISA-N 321.333 -0.422 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(-n2ccnn2)cc1 760378334 ULKXBPKCCRRRMM-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD Cc1nc2cc(O)nn2c(C)c1CC(=O)NNC(=O)C(C)(C)O 768256531 RFROGUZJGQUNFH-UHFFFAOYSA-N 321.337 -0.487 50 20 DBGD Cn1nncc1C(=O)NNC(=O)COc1ccc(C#N)cc1 798825535 GLOSCDXVWODLLL-UHFFFAOYSA-N 300.278 -0.473 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ncccc1F 804216334 HXQLDWBEWRRQIA-NSHDSACASA-N 323.328 -0.209 50 20 DBGD CCCS(=O)(=O)CC(=O)NNc1ccc(-n2ccnc2)nn1 804954672 POVXDXAFBVORKB-UHFFFAOYSA-N 324.366 -0.070 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](S(C)(=O)=O)C1 827273266 GJYSEIMQPFUSTN-GUBZILKMSA-N 319.383 -0.729 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 841376838 XLPWTTZRJFRDAI-CPCISQLKSA-N 311.269 -0.151 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)c1cccc(Cl)c1 845081822 VEOSITQMLPWHQS-VIFPVBQESA-N 317.754 -0.207 50 20 DBGD CC(C)NC(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 847402112 XWDDHDMTXHVNDJ-UHFFFAOYSA-N 320.415 -0.213 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(CCN(C)C)n1 848233786 BJIKHORFOAVFAH-MNOVXSKESA-N 309.370 -0.369 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(F)c1N 848405652 SQYXCEAPYYNZOD-ZETCQYMHSA-N 302.331 -0.204 50 20 DBGD CNC[C@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 851679820 DQUKJFPYNGKINQ-QMMMGPOBSA-N 313.383 -0.584 50 20 DBGD CN1CCN(C(=O)NNC(=O)COc2ccccc2O)CC1 854378905 HPRPYUNGZPMGGS-UHFFFAOYSA-N 308.338 -0.241 50 20 DBGD CCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 858808342 FTKMZFRYWYJECL-SECBINFHSA-N 308.342 -0.487 50 20 DBGD COc1ccccc1OCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862448270 BKSBHSGBUDCXCS-SNVBAGLBSA-N 321.333 -0.110 50 20 DBGD Cc1cc2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c(C)n2n1 862449221 CUPDWYHXPCHPCY-SNVBAGLBSA-N 316.321 -0.614 50 20 DBGD CC(=NNC(=O)CS(C)(=O)=O)c1cccc(-n2cnnn2)c1 863189102 YNFRMOKMADCQEA-UHFFFAOYSA-N 322.350 -0.453 50 20 DBGD Cc1cnc2cc(C(=O)NNC(=O)CS(C)(=O)=O)ccn12 863466906 GHIBEZBETBDKGA-UHFFFAOYSA-N 310.335 -0.552 50 20 DBGD COC(=O)CCc1nc(COc2ccc(B(O)O)cc2)no1 863865987 OOLSYYIORYTNCG-UHFFFAOYSA-N 306.083 -0.566 50 20 DBGD COC(=O)c1csc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 864231844 TWXQATVOVGFPQN-QMMMGPOBSA-N 319.169 -0.228 50 20 DBGD CN(C(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCCNC1=O 865118418 AGTXZZOJOZRHGT-LBPRGKRZSA-N 308.118 -0.754 50 20 DBGD CCO/C=C(/C#N)C(=O)NCCCN1CCCS1(=O)=O 869616240 GKKAMANECKVMGG-KHPPLWFESA-N 301.368 -0.028 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2CSC2)C[C@@H](C)O1 895510272 BQZOFOKWCILEFR-NXEZZACHSA-N 301.412 -0.004 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CS(=O)(=O)C(C)C)n1 917679983 YVOCODXGLXPEFL-UHFFFAOYSA-N 316.383 -0.529 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 919961181 VUSKCFSAJUHMLE-UHFFFAOYSA-N 312.351 -0.282 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)C(=O)NNC(=O)C(C)C)n1 1116671415 PKMFOLGMHMPKLS-SECBINFHSA-N 311.342 -0.168 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1nncc(N)c1Cl 1118192960 ZALWIUBARUBNTD-RNFRBKRXSA-N 302.722 -0.248 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CC2)s1 1251653269 DGJGINKPWLIKJU-UHFFFAOYSA-N 304.353 -0.498 50 20 DBGD CN(C)N(C(=O)CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 1317719589 XZUARKZIPRZFLE-JTQLQIEISA-N 303.384 -0.899 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNC(=O)Cc1cc[nH]n1 1318572629 DGYVGHRAQTYFFT-UHFFFAOYSA-N 309.351 -0.278 50 20 DBGD CCO/C=C(/C#N)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1319671914 OVRHFEBMJSOIQS-RGAIUGGKSA-N 301.368 -0.172 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 1324306182 RIXRJBSNEIVMSL-SKDRFNHKSA-N 319.383 -0.681 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CC[C@H](O)CC1 1325478604 CKPVORDJCKUEAJ-GMTAPVOTSA-N 303.359 -0.328 50 20 DBGD CO[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)C1CCOCC1 1331937486 GOZQAZBIMGIKJL-NWDGAFQWSA-N 315.370 -0.205 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@]2(CCOC2=O)C1 1337667050 MDXZYMFMOPJVBW-CQSZACIVSA-N 307.086 -0.715 50 20 DBGD C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)CO 1589897869 PBQAIUYIHRWSRT-QMMMGPOBSA-N 304.310 -0.815 50 20 DBGD C[C@](CCF)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1592498402 RGNIXQRRUOVDLB-GFCCVEGCSA-N 301.054 -0.562 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)c1C(=O)O 1610397606 AHPRKUFZLSFLGL-UHFFFAOYSA-N 322.321 -0.287 50 20 DBGD COC(=O)[C@@H]1CN(S(=O)(=O)CBr)CCO1 127571130 QNLBYWMKDYBGHR-LURJTMIESA-N 302.146 -0.458 50 20 DBGD COCCn1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)n1 188906384 DNTKINKXTNZVFM-UHFFFAOYSA-N 320.353 -0.196 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)Cc1cccnc1 264245709 WJSNWPGNBFTLMR-NSHDSACASA-N 307.354 -0.001 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccncc1 272558625 NFSRJCOBJFUEED-WFFHOREQSA-N 316.317 -0.313 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 282626643 FNCVMZUXPMCIMO-UHFFFAOYSA-N 306.322 -0.441 50 20 DBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)C(=O)NC(C)C 285030715 JUVRRMCNVGEEJV-WPRPVWTQSA-N 300.359 -0.791 50 20 DBGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C2 290399621 KFIZKSUTXURJAO-LBPRGKRZSA-N 320.397 -0.258 50 20 DBGD Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584968844 FSQGWUSCKXXULH-LBPRGKRZSA-N 300.127 -0.528 50 20 DBGD CC(C)(C)CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584983079 SLHAQIXOHSJFHU-LBPRGKRZSA-N 324.161 -0.085 50 20 DBGD C[C@H]1CN(CCCNCc2ccccc2B(O)O)CCCO1 585038081 RPTKEWLRKWCXFM-AWEZNQCLSA-N 306.215 -0.043 50 20 DBGD COc1ccc([C@H](CO)CNCc2ccc(B(O)O)o2)cc1 585045755 HDQKHLOPMQZZOH-LBPRGKRZSA-N 305.139 -0.166 50 20 DBGD CCOc1ccccc1N1C[C@H](C(=O)NCB(O)O)CC1=O 585058927 UGYFQGXBHTUVKY-SNVBAGLBSA-N 306.127 -0.434 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(OCCO)CC1 757132185 UBKWBIVTPNZLGV-UHFFFAOYSA-N 301.387 -0.347 50 20 DBGD CCO[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C 758030601 REULSLJREHPXAZ-NXEZZACHSA-N 323.415 -0.477 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@]1(CO)CCOC1 763885399 KXWDFJDELFRPPK-FZMZJTMJSA-N 301.387 -0.348 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COC[C@@H]1CCCO1 772132904 PHDDLKCHVXIQQD-UWVGGRQHSA-N 302.327 -0.329 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ncccn2)O1 775455486 SUXQFWHPESOXIA-VHSXEESVSA-N 308.342 -0.262 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)cs1 785404390 VCECWVPAJMNRNS-BDAKNGLRSA-N 313.335 -0.226 50 20 DBGD Cc1cc(OCC(=O)NNC(=O)c2cnn[nH]2)ccc1[N+](=O)[O-] 797721187 AAKLGNZXULQOFI-UHFFFAOYSA-N 320.265 -0.139 50 20 DBGD Cn1c2c(ccc1=O)C(=NNC(=O)C(=O)NC1CC1)CCC2 814777987 LMDIYSWINJCTOD-UHFFFAOYSA-N 302.334 -0.180 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(C(=O)O)c1 814835375 PIXCKDWTJDDUAE-QMMMGPOBSA-N 313.335 -0.227 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827260670 VEJFPBRVKFMBCO-AATLWQCWSA-N 314.342 -0.802 50 20 DBGD C=C[C@@H](O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 827855667 GGWBQNDNVFASER-MRVPVSSYSA-N 302.331 -0.612 50 20 DBGD O=C(O)c1nscc1S(=O)(=O)NNC(=O)C1CCC1 833344829 CRPPZITWFAVCMJ-UHFFFAOYSA-N 305.337 -0.049 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 846093580 FDOHPUXUDINDMU-SECBINFHSA-N 312.351 -0.519 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(n2cnnc2O)CC1 846881119 AWPGUSMPIKPAPN-SECBINFHSA-N 310.358 -0.434 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCNC2=O)cc1C 854191757 UCPOHSSUCFDBIJ-GFCCVEGCSA-N 305.334 -0.034 50 20 DBGD CCOC(=O)C1(C(=O)NNC(=O)N2CCN(C)CC2)CCC1 854379287 VSFXTONAGNBCDV-UHFFFAOYSA-N 312.370 -0.292 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3nnc(S)n3c2)N1 862459492 USCSPQFEBCZKPU-ZETCQYMHSA-N 320.334 -0.942 50 20 DBGD C/C=C\C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OCC 863879670 XTWVPLVJOZAZEQ-HSBHDXMMSA-N 305.139 -0.006 50 20 DBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)NCC1CC1 912524403 SNOYFKBOQVEYQB-UHFFFAOYSA-N 317.327 -0.901 50 20 DBGD Cc1nc(C)c(CNC(=O)NNC(=O)C(=O)NC2CC2)s1 1252366852 FEHKZNARRMYVSG-UHFFFAOYSA-N 311.367 -0.131 50 20 DBGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COC)c1 1254905858 VPSFKWBQXNOFQQ-UHFFFAOYSA-N 322.321 -0.913 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1261742484 WFBWOZHQYHRSDZ-SNVBAGLBSA-N 301.310 -0.274 50 20 DBGD O=C1NC(=O)C2(CCC(C(=O)NNc3ncccn3)CC2)N1 1318424164 UCIHJAMZEWMKCP-UHFFFAOYSA-N 304.310 -0.312 50 20 DBGD Cc1nc(S(=O)(=O)NNC(=O)Cc2cccnc2)cn1C 1322469874 WACSFHAABATUTL-UHFFFAOYSA-N 309.351 -0.324 50 20 DBGD COCCOCC(=O)NC1CCC(C(=O)NNC(C)=O)CC1 1324352158 ODYRWYVVKFPJEZ-UHFFFAOYSA-N 315.370 -0.508 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ncc(Cl)cc1C 1330090754 RQYLIUHUTKTMHL-UHFFFAOYSA-N 314.685 -0.698 50 20 DBGD Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)CS(C)(=O)=O 1330168694 OAPJOBXLRGYGRM-ZETCQYMHSA-N 317.367 -0.023 50 20 DBGD Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)[C@@H]1CCN1 1579550271 UDDVYIMGKYBBEF-ZDUSSCGKSA-N 306.366 -0.245 50 20 DBGD Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)NN=c1cc[nH]cc1 1591835540 KHQZOWHPBODKMK-UHFFFAOYSA-N 312.293 -0.150 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)c1=O 1594551423 DETAWHOUIYLSIW-IUCAKERBSA-N 310.310 -0.507 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[C@@H](C(=O)O)C1 1594783234 WYRRPXWBHUYZLV-DJLDLDEBSA-N 318.351 -0.931 50 20 DBGD NC(=O)c1ccc(CC(=O)NNc2ccc(C(=O)O)cn2)cn1 1601165216 YYNNGHASHJZVOO-UHFFFAOYSA-N 315.289 -0.041 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)n(C(C)(C)C)n1 1610470818 GSQGAOCDJZLGGB-UHFFFAOYSA-N 311.298 -0.883 50 20 DBGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1781213312 MTXAHWSMKBPRGX-GWCFXTLKSA-N 303.790 -0.208 50 20 DBGD C[C@@H](CN)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842866259 WBIZKJYQIZNDKF-VHSXEESVSA-N 303.790 -0.616 50 20 DBGD O=C(COc1ccccc1)NCC(=O)NNC(=O)c1ccc[nH]1 6991131 SDIFHGGCMCQSBV-UHFFFAOYSA-N 316.317 -0.029 50 20 DBGD O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)NC1CC1 53491899 LJVFQHHVHJLCQB-UHFFFAOYSA-N 301.310 -0.167 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)COc1ccccc1C#N 54040489 XKOBTCJRWDAODN-UHFFFAOYSA-N 319.321 -0.596 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H](C#N)C2)cc1 72963670 RGHIJYWZTBWWGG-ZDUSSCGKSA-N 302.334 -0.020 50 20 DBGD CCN(CC)C(=O)CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 140128474 BFLYFUAXBIYWNR-GFCCVEGCSA-N 320.415 -0.764 50 20 DBGD O=C(Cn1cnnn1)NNC(=S)NCCc1cccs1 176686928 GMCVPZTYNJPJBN-UHFFFAOYSA-N 311.396 -0.527 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 281179651 JKSDAFMMNCZACH-AWEZNQCLSA-N 324.406 -0.411 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 288932615 NDSFDKYXAYHIKY-UHFFFAOYSA-N 317.323 -0.314 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1 299458665 WPYCCWUHCPRGEJ-UHFFFAOYSA-N 301.324 -0.062 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)cc2)[C@@H]2CCCC[C@@H]2N1 584958207 MQWFYUHPZVRUNT-QWHCGFSZSA-N 302.139 -0.750 50 20 DBGD CN(C)CCn1cc(NC(=O)c2ccc(B(O)O)c(F)c2)cn1 585005090 WZKGWKYZLFUKDX-UHFFFAOYSA-N 320.133 -0.484 50 20 DBGD O=C1C[C@@H](NCc2ccc(B(O)O)cc2F)[C@H]2CCCCN12 585042273 NSOANENCNPUIJN-ZIAGYGMSSA-N 306.146 -0.252 50 20 DBGD O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCB(O)O 585062230 RZTSJGUGIBTPJO-UHFFFAOYSA-N 311.168 -0.533 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 729258496 ZFSUYNKJDQLWSX-SNVBAGLBSA-N 305.290 -0.761 50 20 DBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)NC 730532873 BTSSQXLGDRPLRG-ZETCQYMHSA-N 312.417 -0.992 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]1 747629705 KYAZXZHFHBMFKU-MRVPVSSYSA-N 313.335 -0.314 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=S)NC[C@@H]1CCOC1 749722371 UBMZHJAOYGMXNA-VIFPVBQESA-N 316.427 -0.177 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1SCCS1 761138185 OSNKMBCKHNFQDV-LURJTMIESA-N 310.422 -0.625 50 20 DBGD C=C(C)COCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 762368053 HQCHUUUOKMLPPQ-GFCCVEGCSA-N 305.400 -0.040 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1ccco1 765507898 FLHVHMZVDXJLHF-UHFFFAOYSA-N 302.290 -0.206 50 20 DBGD CC(C)(CCCO)CNC(=O)NNC(=O)C(=O)N1CCCC1 772626824 DEYLLDSPQPCOKU-UHFFFAOYSA-N 314.386 -0.262 50 20 DBGD CCC(C)(C)NC(=S)NNC(=O)[C@@H](C)NS(C)(=O)=O 774175532 CQCJQGKCMBNNIU-SSDOTTSWSA-N 310.445 -0.392 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ncncc2Cl)O1 781003355 SFVYXPIKBJTJBK-XPUUQOCRSA-N 314.733 -0.211 50 20 DBGD CCNC(=O)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1 782346717 XUOWMVOWQXEQBS-UHFFFAOYSA-N 321.333 -0.175 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cn1 783800685 WUSFJARXYQXHCM-ZETCQYMHSA-N 301.299 -0.584 50 20 DBGD CN(C)C(=O)NCCN(C)S(=O)(=O)CBr 796130248 XZPQBOOMBWGUCG-UHFFFAOYSA-N 302.194 -0.128 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)N=c1cc[nH]cc1 802027794 XAQPHUOAEMLXTE-UHFFFAOYSA-N 314.367 -0.273 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnn[nH]2)c1 805605639 PAOBBXGMYDZTQE-UHFFFAOYSA-N 303.278 -0.269 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)CC(C)(C)C 821154233 MMNWOQXSLDQKKR-BDAKNGLRSA-N 321.399 -0.435 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 821681554 NMNBVNBPZDLTEE-CYBMUJFWSA-N 320.309 -0.975 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cccc(F)c1C(=O)O 830564371 ZVFALCXRONEJSX-UHFFFAOYSA-N 305.287 -0.012 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCCNC(=O)O 833438583 KQOQVMLFKKMZMP-UHFFFAOYSA-N 318.330 -0.294 50 20 DBGD Cc1cccnc1NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 834348434 MIJBNGUEGXFMSZ-JTQLQIEISA-N 313.383 -0.251 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)Cc2nnc(O)o2)c1 852189204 ZPLHWIUYWYQJCM-UHFFFAOYSA-N 319.321 -0.023 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cc[nH]n1 855359402 QJXICUIYVKWEMW-JTQLQIEISA-N 305.338 -0.181 50 20 DBGD Cn1nncc1NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 857271174 CWCZSBLOIADTLY-MRVPVSSYSA-N 302.360 -0.928 50 20 DBGD CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858329878 GRTJWXRWVTYXMT-RKDXNWHRSA-N 314.342 -0.815 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H](CO)c2ccc(F)cc2)N1 858694729 CFGXRXDIZPVVQZ-MNOVXSKESA-N 324.312 -0.532 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 861946971 XCCCJJPOWVHIJW-JTQLQIEISA-N 322.296 -0.501 50 20 DBGD O=C(COc1ccc2c(c1)CCC2)NNC(=O)[C@@H]1CCC(=O)N1 862449337 NMEJANDTOCRLTL-ZDUSSCGKSA-N 317.345 -0.020 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nn1C(C)(C)C 862453155 SGFAPEVRIVQBLI-VIFPVBQESA-N 307.354 -0.014 50 20 DBGD CCON1CCC(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 862462014 SSWZYEKCCUQKCU-NSHDSACASA-N 312.370 -0.534 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H](C)c1ccco1 863866573 VYBQEMJYBKSOTM-IUCAKERBSA-N 317.367 -0.142 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)N(C)C)C[C@H](C)O1 877999076 NIZKMRZXFZOUPG-SDDRHHMPSA-N 300.403 -0.417 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)Cc1nc2ncccn2n1 899991886 DKBNIEXERMSMOA-UHFFFAOYSA-N 307.383 -0.039 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(Br)c[nH]1 919683792 BATMRBLYVCNJLY-UHFFFAOYSA-N 324.156 -0.417 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CN3CCSC3=O)nc21 1116320919 VKOXZASAPUGVMA-UHFFFAOYSA-N 323.338 -0.319 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F 1116819693 QISILRLFRXJDKG-UHFFFAOYSA-N 307.232 -0.065 50 20 DBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1C1CC1 1118971450 XQCWQUKIGFFQDS-LLVKDONJSA-N 318.333 -0.469 50 20 DBGD NC(=O)N[C@@H](CC(=O)N1CC[C@@H](B(O)O)C1)c1ccccc1 1261844357 LQALFMCRARIWOD-NEPJUHHUSA-N 305.143 -0.139 50 20 DBGD O=C(NNC(=S)NCCc1ccccn1)C(=O)NC1CC1 1318140695 AYROYRDEABNTEH-UHFFFAOYSA-N 307.379 -0.602 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCCN2C(=O)CCC2=O)cn1 1318611407 HANJOHUNLVOLRO-UHFFFAOYSA-N 307.310 -0.890 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1319519120 RIKWITYCUVDTKR-VIFPVBQESA-N 302.356 -0.190 50 20 DBGD CN(C)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1320922372 FKELHQKTRLCKGK-UHFFFAOYSA-N 306.370 -0.598 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)Cc1ccncc1 1323464667 DNFQAXHDUDMHAR-UHFFFAOYSA-N 318.293 -0.115 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)CC1OCCCO1 1326831929 LUPHQWLXJCYYPN-UHFFFAOYSA-N 311.294 -0.690 50 20 DBGD CC(Cn1cncn1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1330645427 NIEFMTKWIXDDFE-VIFPVBQESA-N 300.344 -0.860 50 20 DBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)c(F)c1 1337973328 BHKSICQEOCALJA-UHFFFAOYSA-N 322.296 -0.189 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCO[C@@H](C2CC2)C1 1342638414 QEVGVZXSASKJPM-VXGBXAGGSA-N 324.381 -0.103 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1)c1ccc(-c2nn[nH]n2)cn1 1451878411 IYXHXLZNTWMZEB-VIFPVBQESA-N 319.350 -0.082 50 20 DBGD CC(C)(CC=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)O 1590654775 UPIHUOMPFDFIFR-MRVPVSSYSA-N 305.356 -0.041 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc(F)c(C(=O)O)c(F)c1 1598884211 PLBVZKNUYIDBKK-UHFFFAOYSA-N 317.204 -0.011 50 20 DBGD O=C(NCc1nc(-c2nn[nH]n2)cs1)NNc1cccnn1 1606844139 KJJARYKVHBVHAM-UHFFFAOYSA-N 318.326 -0.061 50 20 DBGD CC[C@@H](NC)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350471 DXUNULUEYDSZNY-GHMZBOCLSA-N 317.817 -0.213 50 20 DBGD NC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H]2CCCO2)cc1 147074215 JZBNSHHXGZSIMZ-NSHDSACASA-N 307.306 -0.509 50 20 DBGD COC(=O)NNC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)NNC(=O)OC 274830868 HKVRDAJSMDNARS-WHUPJOBBSA-N 316.314 -0.577 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H](CO)O1 319809120 XLYNGQVPNABMMD-DGCLKSJQSA-N 307.350 -0.471 50 20 DBGD COc1ncc(/C=C/C(=O)NNC(=O)c2cc(C)[nH]n2)cn1 492690211 URLSQAGULRCIDJ-ONEGZZNKSA-N 302.294 -0.009 50 20 DBGD Cc1nc(C)n(CCCC(=O)Nc2cccc(B(O)O)c2)n1 584912995 YTNGDYLLDAVSEX-UHFFFAOYSA-N 302.143 -0.006 50 20 DBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)Cn1ccnc1 584951134 VFQNTCIPZNPRTO-SNVBAGLBSA-N 305.118 -0.232 50 20 DBGD OB(O)c1ccc(CNC2CCN(C[C@H]3CCOC3)CC2)o1 585025101 LRTJGPVLTXOUTJ-GFCCVEGCSA-N 308.187 -0.450 50 20 DBGD Cn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)cc1F 585050328 WWVBAJCEEKCJBD-ZIAGYGMSSA-N 319.145 -0.141 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNc1nnc(C)c(O)n1 728065245 NAIVJVCPQVLWNZ-UHFFFAOYSA-N 317.371 -0.066 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)Cn1cc([N+](=O)[O-])cn1 728856046 LTWHAKVEALPLDV-UHFFFAOYSA-N 304.266 -0.424 50 20 DBGD CCCS(=O)(=O)Nc1ccc(C(=O)NNC(=O)CO)cc1 753438986 IINCPYQMGJHKRX-UHFFFAOYSA-N 315.351 -0.408 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2ccccn2)n1 756647003 OZLHZBXWFQDLTH-UHFFFAOYSA-N 318.293 -0.082 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](O)C1CC1 767334757 GIUITWBDKBZPKO-HNNXBMFYSA-N 320.345 -0.001 50 20 DBGD CCOc1cnc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)cn1 778536767 QKMZVTAYGFXIGK-MRVPVSSYSA-N 310.310 -0.022 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NN=c1cc[nH]cc1)n1cccn1 781018852 AYGGANSFHVPPBW-NSHDSACASA-N 302.338 -0.137 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1 802098018 XMFQSXLBOVPEGW-LBPRGKRZSA-N 322.321 -0.101 50 20 DBGD O=C(CN[C@@]1(C(=O)O)CCOC1)NNC(=O)c1cccs1 833764363 DIEHZDIEAIBWOM-LBPRGKRZSA-N 313.335 -0.658 50 20 DBGD C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1cnn(C)c1 854381912 UVGRLTPHEUCGFS-NSHDSACASA-N 308.386 -0.098 50 20 DBGD O=C(NNC(=S)NCC1CCC1)[C@H]1CCc2nnnn2CC1 855092584 KLSARDVHDZYZJA-JTQLQIEISA-N 323.426 -0.079 50 20 DBGD CC1=C(C(=O)NNC(=O)c2cc[nH]n2)[C@H](C)n2ncnc2N1C 855355834 BAOAIXQKXCFGGZ-QMMMGPOBSA-N 316.325 -0.253 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)N1 863412569 JFMBBCSAPIYKRP-QJPTWQEYSA-N 323.374 -0.228 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccc(C#N)cc1 863458624 BTBONKQTBYEAFL-UHFFFAOYSA-N 309.347 -0.317 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](N2CCOC2=O)C1 863887140 VFCHVKJWEQJFAG-GFCCVEGCSA-N 304.111 -0.967 50 20 DBGD O=C(NNC(=O)C1(c2ccccn2)CC1)C(=O)N1CCCC1 865070228 FQLROQGSCHJRRX-UHFFFAOYSA-N 302.334 -0.117 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 920238817 LIBDGUFPWNWXMW-SECBINFHSA-N 320.415 -0.213 50 20 DBGD CCN1CCC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1=O 928862853 BTYMSWJWPBUMKM-LBPRGKRZSA-N 308.118 -0.754 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2nc[nH]c2n1 1116578359 SNONRWARYVHULI-ZETCQYMHSA-N 323.334 -0.846 50 20 DBGD CN(C)c1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1118799222 ODHXGTQQFORBBN-SNVBAGLBSA-N 320.353 -0.743 50 20 DBGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cc2n(n1)CCO2 1261216348 QXJRQPQFWFMTFX-UHFFFAOYSA-N 316.321 -0.048 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1ncncc1F 1261248769 UDFQVMRBTALQAI-UHFFFAOYSA-N 317.284 -0.054 50 20 DBGD CC(=O)NNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 1320390428 XFANRSDAOKCSGA-UHFFFAOYSA-N 324.362 -0.252 50 20 DBGD COc1ccnc(NNC(=O)C(=O)Nc2c(C)c(C)nn2C)n1 1320690396 GCRKBMMXYMYNBT-UHFFFAOYSA-N 319.325 -0.083 50 20 DBGD Cc1nscc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320805631 DJWNLITVZYNIPJ-ZETCQYMHSA-N 318.380 -0.417 50 20 DBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)C1 1321744720 VOJHLSGAYIKCNV-QMMMGPOBSA-N 311.308 -0.485 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cc(C)ncn1 1323033560 MPPZYJJNHIMFGD-JTQLQIEISA-N 311.342 -0.333 50 20 DBGD CCOC[C@@H]1CN(C(=O)NNC(=O)c2ncccn2)CCO1 1328800412 SKQRFPNMEUDXRD-JTQLQIEISA-N 309.326 -0.432 50 20 DBGD COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1329031140 DXOISXJGIKJECT-JTQLQIEISA-N 320.305 -0.940 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)CC(F)(F)F 1334405731 RKVMWRYYXAYNRM-UHFFFAOYSA-N 308.216 -0.974 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CN2CCNCC2)cc1 1574156363 DUVKFQBYLLVFNC-UHFFFAOYSA-N 306.366 -0.574 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CNC[C@H]12 1575106894 XQLJSGMMMWTFRS-BBBLOLIVSA-N 317.411 -0.797 50 20 DBGD COC(=O)C[C@H](N)C(=O)NNC(=O)COc1cc(C)ccc1C 1578819312 WDUQKMBONWOANO-NSHDSACASA-N 323.349 -0.280 50 20 DBGD CNC(=O)CCCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1579394294 REUNWOYQVWSYHE-UHFFFAOYSA-N 304.314 -0.379 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCS1(=O)=O 1593162665 WIENSFGHMJFUAP-JTQLQIEISA-N 322.350 -0.113 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)C12CCN(CC1)C2 1593165226 YAFWJQKGLVXVFR-UHFFFAOYSA-N 300.326 -0.199 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@]2(C(=O)O)CC=CCC2)ccc1=O 1594530418 SCBNZWPYCUBVEF-HNNXBMFYSA-N 319.317 -0.043 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)c1O 1599642195 BIZDPVFHQXJTCX-ZJUUUORDSA-N 324.289 -0.206 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)OCC(F)(F)F 1601555990 OJBMCTFDHNARJP-UHNVWZDZSA-N 300.189 -0.062 50 20 DBGD CN1NN=C2C1=NCC[C@@H]2C(=O)NNc1ccc(C(=O)O)cn1 1606259862 TYJHHOZMBPOSDM-QMMMGPOBSA-N 317.309 -0.553 50 20 DBGD O=C(c1ncc[nH]1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349637 FEXVUSXVIYENRP-SECBINFHSA-N 312.757 -0.174 50 20 DBGD CC(=O)NCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1845990492 JZHHATFZDCUNLA-SNVBAGLBSA-N 305.737 -0.140 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)NC(N)=O)c1 25262957 LHXHHNGKWHMBGF-ZETCQYMHSA-N 310.310 -0.478 50 20 DBGD CCn1c(NNC(=O)[C@H]2CNCCO2)nc2ccccc2c1=O 187256529 XNEXXYDODUPFGG-GFCCVEGCSA-N 317.349 -0.152 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=Cc1ccccn1 254713923 GMWPKKGROIJFCM-UHFFFAOYSA-N 306.307 -0.080 50 20 DBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1nccc(OC)n1 265122412 ZXZNNGRLHIYVDU-MRVPVSSYSA-N 317.371 -0.066 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1ccncc1)C(C)C 265915700 SGHMXVCHBKLEJR-LBPRGKRZSA-N 308.338 -0.370 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccnc1N1CCOCC1 277955755 LXBRMVODISQXLP-UHFFFAOYSA-N 308.338 -0.550 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1cccnn1 280345397 QJBXEKNNSWDDLL-AWEZNQCLSA-N 303.322 -0.159 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)C1 297436932 UMCCVGVHZMSMFU-CBAPKCEASA-N 300.315 -0.665 50 20 DBGD CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584909426 CYZSWEYAQJLKEY-CYBMUJFWSA-N 304.155 -0.048 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(CC(F)(F)F)CC1 584926521 QVCYRDGGHFMVBP-UHFFFAOYSA-N 316.088 -0.314 50 20 DBGD O=C(NCCN1CCSCC1)c1ccc(B(O)O)c(F)c1 584944202 JLZCIBLXFAOGDB-UHFFFAOYSA-N 312.175 -0.716 50 20 DBGD CSC[C@@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584951663 YRZYYMMYKOORLH-LBPRGKRZSA-N 301.148 -0.651 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1CN1CCOCC1 584955439 NIXHVMLCKBEFJS-OAHLLOKOSA-N 318.182 -0.697 50 20 DBGD CCC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nn[nH]n1 584961223 RRMYEXQERXASPP-JTQLQIEISA-N 307.094 -0.710 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](OCCO)C1 584966366 YFNVYNVRFILNLZ-LLVKDONJSA-N 311.118 -0.881 50 20 DBGD CN1CCN(CCNCc2cccc(B(O)O)c2)CC1(C)C 585038908 KESHWHOZVQIPCZ-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD CC(=O)N1c2ccc(S(=O)(=O)NCB(O)O)cc2C[C@@H]1C 585053996 FLSKVSKVKVTECH-QMMMGPOBSA-N 312.156 -0.726 50 20 DBGD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585060779 JXVKTPLTNIPINI-MRVPVSSYSA-N 300.101 -0.168 50 20 DBGD Cc1cccc2c(=O)n(CC(=O)N3CC[C@H](B(O)O)C3)cnc12 585068335 AWTOZPYLKKLEOF-NSHDSACASA-N 315.138 -0.220 50 20 DBGD CN1CCN(CC(=O)NNC(=O)COc2ccccc2O)CC1 732290017 OMXKUPMKTOXQGT-UHFFFAOYSA-N 322.365 -0.834 50 20 DBGD O=C(COC(=O)[C@@H]1C[C@H]1C(=O)O)NNC(=O)c1ccccc1 739317229 AANGXKDKIIVRII-NXEZZACHSA-N 306.274 -0.289 50 20 DBGD COC(=O)c1cc(C#N)c(=O)n(CC(=O)NNC(=O)C2CC2)c1 742450876 LXDHYZIFOSHIAL-UHFFFAOYSA-N 318.289 -0.936 50 20 DBGD COC(=O)CN(CC(=O)NNC(=O)C1CC1)C1CCOCC1 744425373 FGSJLYIOOPCGPK-UHFFFAOYSA-N 313.354 -0.802 50 20 DBGD C[S@@](=O)CCNC(=O)NNc1ccc(-n2cccn2)nn1 745845411 QCPOQGNYSBWYGD-OAQYLSRUSA-N 309.355 -0.333 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(O)cc1O 751207585 ZQCUKIZXEJGQBL-UHFFFAOYSA-N 319.273 -0.118 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)nc1 757720384 RYNKXSXJJGQZAA-ZETCQYMHSA-N 316.314 -0.192 50 20 DBGD COC[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(N)=O 760078893 SQOKVIZSLCIGNG-HQAMWZJRSA-N 315.333 -0.271 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 770442271 RUEJPRBHJQPWIO-UHFFFAOYSA-N 306.238 -0.198 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2nncn2c1 772064144 KJZVJFZWYBYZBR-QMMMGPOBSA-N 305.294 -0.168 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(N)=O)s1 772065142 HHYRFZFBLZKGPN-LURJTMIESA-N 313.335 -0.050 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCCOCC1 776632950 JHCRREQDXZUFLU-WDEREUQCSA-N 303.359 -0.063 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)CC(F)(F)F 779181398 ISYSKFVYVSIWPT-UHFFFAOYSA-N 317.227 -0.404 50 20 DBGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)c2cnn(C)c2)c1 785415956 QIPUKXLVVMPNTP-CYBMUJFWSA-N 318.333 -0.207 50 20 DBGD Cn1ncc(C2CC2)c1C(=O)NNC(=O)C(=O)N1CCCC1 824877524 SOTKGVGRCWQEGH-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C1(n2cnnn2)CC1 826773695 HJYZTDBNQUWXGD-UHFFFAOYSA-N 318.293 -0.906 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 827260672 VEJFPBRVKFMBCO-XKNYDFJKSA-N 314.342 -0.802 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cncc(F)c1 842591183 AXRZMSVOMNVMQC-OIBJUYFYSA-N 303.315 -0.045 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843653233 MSVHDXJWAQWBJA-QWRGUYRKSA-N 310.354 -0.012 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CC2(CCC2)C1 844132060 DBUAGFGOOYHALO-MRVPVSSYSA-N 303.384 -0.348 50 20 DBGD CCN1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1=O 852313213 DWYMCHDDBSTQCS-VIFPVBQESA-N 309.301 -0.215 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ncc(Cl)cn1 857729181 MUWAKWIZIBBFID-HZGVNTEJSA-N 313.745 -0.151 50 20 DBGD CC[C@H](C)[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858503460 ATTGHLDNGSAMHT-LPEHRKFASA-N 300.359 -0.344 50 20 DBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1cn[nH]c1 862474493 MJEOXAAJRSTQFY-ZCFIWIBFSA-N 322.354 -0.327 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NN=c1cc[nH]c(C)c1 862511537 SUPKWCLGSLSISZ-ZDUSSCGKSA-N 319.365 -0.618 50 20 DBGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)[C@H]1CCC(=O)N1 863148504 DDGWKVNOXDJGDN-ZJUUUORDSA-N 301.368 -0.276 50 20 DBGD Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)CS(C)(=O)=O)n1 863459508 CRNMONFJACBCHH-SNVBAGLBSA-N 316.383 -0.357 50 20 DBGD Cc1csc(C(=O)NNC(=O)C2CN(S(C)(=O)=O)C2)c1 912979890 HZBJEHGUIICIBH-UHFFFAOYSA-N 317.392 -0.291 50 20 DBGD CC(=O)N1CCC(C(=O)NNC(=O)Cn2nc(C)cc2C)CC1 1115819232 PBWKMSUVAHFABF-UHFFFAOYSA-N 321.381 -0.094 50 20 DBGD Cc1ccc(C(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1115870887 IVNFMPQXGWSJOA-NSHDSACASA-N 324.358 -0.240 50 20 DBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)c1cccn1C 1118487234 QNMVMYRRYAGZRY-UHFFFAOYSA-N 318.337 -0.050 50 20 DBGD O=C(NNC(=O)N1CC(N2CCCC2=O)C1)c1cccc(F)n1 1121992889 PZAWPDBLLZEEMR-UHFFFAOYSA-N 321.312 -0.118 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1261461040 XAWUYDAXYACGNA-VHSXEESVSA-N 306.322 -0.099 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1cccnn1 1320338774 FJLNCLDXYFKDGC-GAJNKVMBSA-N 317.305 -0.918 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNc1nccnc1OC 1320391725 QITDCNXTBYSZFA-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 1320761905 RHSHHNUHXIBBNU-UHFFFAOYSA-N 300.359 -0.702 50 20 DBGD CCC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)S(N)(=O)=O 1328342559 MWWUPDGUMGNJEX-DJLDLDEBSA-N 307.372 -0.984 50 20 DBGD COc1ccc(OCCCNC(=O)NNC(=O)C(=O)O)cc1 1599606096 IKGCDJXJCIBOSF-UHFFFAOYSA-N 311.294 -0.121 50 20 DBGD O=C(O)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 1602331034 NUHQQWQMEGUPIZ-SSDOTTSWSA-N 300.292 -0.137 50 20 DBGD CC(C)NC(=S)NNC(=O)Cn1cccc(C(=O)O)c1=O 1603904467 OXACUCLNSQIKTH-UHFFFAOYSA-N 312.351 -0.550 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cnc(C)c(C(=O)O)c1 1610009624 QXPXSFVYSWJBCJ-UHFFFAOYSA-N 316.339 -0.057 50 20 DBGD C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790789669 JIFSYZLXGIERJX-YFKTTZPYSA-N 314.769 -0.801 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)OCO2 8141232 MXFSCKIBBNWRGG-UHFFFAOYSA-N 305.290 -0.201 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)c2ccccc2)C1 264717497 KMHVKILBNOBAFS-CYBMUJFWSA-N 305.382 -0.124 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)CNc1ccccc1 266988190 GUYHCPWIPBAQBT-JTQLQIEISA-N 313.379 -0.073 50 20 DBGD O=C(NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CCC1 275768943 VUNZCNFVLADHOZ-RYUDHWBXSA-N 318.333 -0.095 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)N1CCOCC1 374249298 FXYQCNVZLUBAOS-SNVBAGLBSA-N 307.354 -0.087 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)C1(N2CCOCC2)CCC1 584910683 DBOPBXWELOFBGB-UHFFFAOYSA-N 304.155 -0.440 50 20 DBGD O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(B(O)O)c(F)c1 584934904 ZJSZYJAADIGZTO-JTQLQIEISA-N 306.146 -0.280 50 20 DBGD CC(C)CN1CCO[C@@H](CNCc2ccc(B(O)O)cc2)C1 585016036 FMVTVERGOZGWKB-INIZCTEOSA-N 306.215 -0.187 50 20 DBGD OCCOC1(CNCc2ccc(B(O)O)cc2)CCOCC1 585042499 SKGMHMCOXQTZCC-UHFFFAOYSA-N 309.171 -0.986 50 20 DBGD COc1cc(OC)c(S(=O)(=O)NCB(O)O)cc1Cl 585056795 BDLLPSXLMJXTJJ-UHFFFAOYSA-N 309.536 -0.353 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)n1C 728377425 QSLDZSDBHPSOPZ-JTQLQIEISA-N 313.379 -0.162 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 731283222 DVGGUBQTJVMLHC-GHMZBOCLSA-N 300.359 -0.784 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCCn2ccccc2=O)cn1 735445139 JKWIEAFQBHKTKM-UHFFFAOYSA-N 303.322 -0.177 50 20 DBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)N1CCOCC1 745995970 FXFMPAGAJTVQQX-WDEREUQCSA-N 301.343 -0.357 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCN(C2CC2)C1 748636733 XGPQXHRQFIXNCF-GHMZBOCLSA-N 314.386 -0.395 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)NCC(F)F)c1 753783180 YQBLBZKMGQIAEK-UHFFFAOYSA-N 314.292 -0.105 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1COCc2ccccc21 782220261 CSEIZUDQHYGPQB-SECBINFHSA-N 311.363 -0.025 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C[C@@H]1CCCOC1 795181198 JBWQUVSWLWGFRZ-NSHDSACASA-N 320.349 -0.225 50 20 DBGD CN(C)c1nccc(NNC(=O)c2ccnc3c2nnn3C)n1 801623572 PXZXUESSWMAGPV-UHFFFAOYSA-N 313.325 -0.024 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)COC(F)F)C[C@@H](C)O1 806341071 YZHYGLVTXKCRTC-DTORHVGOSA-N 309.313 -0.128 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCSC1 810345863 TYTZBGBPMIJLTG-JGVFFNPUSA-N 309.413 -0.785 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NNc2ncncc2F)n1 814649830 DWJVDZZJGVLSRJ-UHFFFAOYSA-N 323.292 -0.556 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CC2)C1 819122448 BJSFYBSEMGASTG-NSHDSACASA-N 317.411 -0.004 50 20 DBGD CCN(CCO)NC(=O)Cc1csc(N2CCOCC2)n1 823885096 VZRPHCSWMSYEQS-UHFFFAOYSA-N 314.411 -0.132 50 20 DBGD O=C(CN1CCOCC1)NNc1cccc(-c2nn[nH]n2)c1 826410969 GBFXKNFQGLFNTO-UHFFFAOYSA-N 303.326 -0.358 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(S(C)(=O)=O)CC1 826676556 CXRNDZAYJOAWSJ-RKDXNWHRSA-N 319.383 -0.681 50 20 DBGD COc1cc(C)nc(NNC(=O)CCNC(=O)[C@@H]2CCCN2)n1 830981167 PNUULYUSQKYDQC-JTQLQIEISA-N 322.369 -0.505 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 854162580 OALLLVKHIPFQRI-MRVPVSSYSA-N 322.387 -0.542 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cn2nnc3c2CCCC3)CC1 854382498 CSDVAIPGSNBMEN-UHFFFAOYSA-N 321.385 -0.855 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)CC(F)(F)F 855000552 KGDWYTHBJZBTTE-SVGQVSJJSA-N 311.260 -0.638 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(F)n1)N1C(=O)CCC1=O 856421994 KMIQLQKVIBLCCI-ZETCQYMHSA-N 308.269 -0.481 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNc3ncccn3)CC2=O)cn1 858319473 AGKXPHZJPYWPHS-SECBINFHSA-N 301.310 -0.294 50 20 DBGD COc1cccc([C@H](OC)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862463843 NIUVRDYOAHCACD-YPMHNXCESA-N 321.333 -0.191 50 20 DBGD CSC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 868799452 ALHHUHHUSVPQEL-VIFPVBQESA-N 300.384 -0.167 50 20 DBGD CO[C@@]1(C(=O)O)CCN(S(=O)(=O)CBr)C1 899934889 NTWOBOVBBZHTRW-ZETCQYMHSA-N 302.146 -0.156 50 20 DBGD C=CC(=O)N(CC)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 908279488 MARIXRAKDYROCF-LLVKDONJSA-N 317.411 -0.487 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)cc1 910178549 YTYLDEUBTMUZSY-SECBINFHSA-N 301.368 -0.448 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](C2OCCO2)C1 927989561 GPWAHBVROIQFLJ-SECBINFHSA-N 309.102 -0.660 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnn2cccnc12 1116119392 KBNIUWQHEMZQHN-UHFFFAOYSA-N 318.337 -0.205 50 20 DBGD C[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)n1cncn1 1319912567 LARIWJOKRFKRTR-SNVBAGLBSA-N 318.341 -0.391 50 20 DBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)c2cnccn2)c1 1325516505 RUXSARVMYFXGLT-UHFFFAOYSA-N 309.285 -0.142 50 20 DBGD CCn1cc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1329174751 HFLOMONQNWFFRZ-SCZZXKLOSA-N 308.342 -0.427 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)sn1 1334890356 XTOJVELRGICISY-LURJTMIESA-N 319.364 -0.653 50 20 DBGD O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 1335432967 PDEJPYWTNFRJOG-PRJMDXOYSA-N 308.065 -0.481 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)[C@H]2CCCNC2)n1 1578418816 JCTHMXDYBHUGEQ-NSHDSACASA-N 308.386 -0.795 50 20 DBGD CC(C)C(=O)NNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588799659 YUEHVNIJCFNPDT-UHFFFAOYSA-N 306.340 -0.931 50 20 DBGD CN(C(=O)CNC(=O)NNC(=O)C(=O)O)C1CCCCC1 1598025426 RDLMLQRHKSPNEJ-UHFFFAOYSA-N 300.315 -0.808 50 20 DBGD CN(C)C[C@H](Cc1ccccc1)NC(=O)NNC(=O)C(=O)O 1606016301 DSGKHFPWMNYBIA-NSHDSACASA-N 308.338 -0.426 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1OC 32661061 GVAJIBSQIAOUTL-GFCCVEGCSA-N 310.306 -0.120 50 20 DBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)NCc1ccco1 138869978 QZCMHPQLZBSSHA-UHFFFAOYSA-N 303.340 -0.067 50 20 DBGD O=C(CN1CC[C@@H](O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 265154809 PSGKMESDHBTGRF-LLVKDONJSA-N 308.294 -0.578 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCN(C)C1=O 265819554 RPROWUWFXUPIDO-LLVKDONJSA-N 320.349 -0.201 50 20 DBGD CC(C)N1C[C@H](NC(=O)NNC(=O)Cc2ccncc2)CC1=O 267540785 CDNOSQFPKPWOIM-GFCCVEGCSA-N 319.365 -0.036 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ccc(Cl)nn2)O1 268485230 TTXFXUOTGKJKIG-RNFRBKRXSA-N 314.733 -0.211 50 20 DBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)C1CC1 268951830 DOSCXWBOZBQHIJ-UHFFFAOYSA-N 316.339 -0.873 50 20 DBGD COC(=O)N(C)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 286242310 GOAPPGZBDXNUFQ-VIFPVBQESA-N 314.323 -0.554 50 20 DBGD COC(=O)COCC(=O)NNC(=O)c1ccc(Cl)nc1 287108952 JRIBBPGQAWERGS-UHFFFAOYSA-N 301.686 -0.314 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)ncn1 495367580 RHXNKVPKLCLVMQ-UHFFFAOYSA-N 311.298 -0.020 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(=O)NCC(F)F 496902994 PJPQHILAZZXLBX-UHFFFAOYSA-N 324.284 -0.960 50 20 DBGD CCN(CC)CCN(CCOC)C(=O)c1ccc(B(O)O)cc1 584944050 YQHVGPAVKGZORA-UHFFFAOYSA-N 322.214 -0.203 50 20 DBGD O=C(NC[C@@H](O)C1CCOCC1)c1cc(B(O)O)ccc1F 584960590 SHYZMLCYSKFBMV-CYBMUJFWSA-N 311.118 -0.977 50 20 DBGD CC(C)c1nnc(CNC(=O)c2cccc(B(O)O)c2)n1C 584970616 DMNLPRNMXJYXDR-UHFFFAOYSA-N 302.143 -0.452 50 20 DBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc[nH]n2)n1 728722817 WMNBSHQGUOWLPO-UHFFFAOYSA-N 323.334 -0.278 50 20 DBGD CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)CN(C)C 743333205 MOPNVHQGEYQRMV-CYBMUJFWSA-N 300.403 -0.511 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C(N)=O)c1 747381955 ZCFMXVCGRYMMDN-NSHDSACASA-N 301.306 -0.138 50 20 DBGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1ccnn1C 766003574 YBDKRQOVUXTPDL-UHFFFAOYSA-N 323.338 -0.351 50 20 DBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)NC2CC2)c1 767328664 WCGUGCACJYZCFX-UHFFFAOYSA-N 312.351 -0.251 50 20 DBGD CCCCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cn1 773496083 JNMYXYFUXYXEQN-UHFFFAOYSA-N 310.310 -0.661 50 20 DBGD NC(=O)C(=O)NN=Cc1cn(-c2ccc(F)c(Cl)c2)nn1 782898989 DPDGINCVMNXPDG-UHFFFAOYSA-N 310.676 -0.005 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCc1nc(-c2ccccn2)no1 787949907 RAEISFKRKUNNOB-UHFFFAOYSA-N 319.321 -0.018 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 823905654 JWRVIXKEBZQBNH-IUCAKERBSA-N 312.326 -0.967 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)[C@@H](C)CO)C1 823965112 ISKFHWWELNTYFC-WDEREUQCSA-N 307.416 -0.608 50 20 DBGD O=C(NNC(=O)c1ccccc1O)c1c[nH]c(-c2nn[nH]n2)c1 826445395 SDZFYNOMNSYECI-UHFFFAOYSA-N 313.277 -0.025 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCS2(=O)=O)n1 847289200 AGOCLQNGMLGWAN-JTQLQIEISA-N 314.367 -0.775 50 20 DBGD CCOC(=O)NCCC(=O)NN(C)C(=S)NCCCOC 854279653 HSHURGSSGMVLCO-UHFFFAOYSA-N 320.415 -0.003 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 854410446 ZYOVUCHMYOXXGY-SECBINFHSA-N 307.372 -0.178 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1 856794203 UYJWWKGKDHDZTQ-NWDGAFQWSA-N 320.349 -0.234 50 20 DBGD COCCOc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453406 UZBCBKLHFINVLZ-LLVKDONJSA-N 321.333 -0.249 50 20 DBGD CC(C)Oc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862457951 UNHVNXOZTVCHCZ-SNVBAGLBSA-N 306.322 -0.092 50 20 DBGD CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)[C@@H]1CCC(=O)N1 863148502 DDGWKVNOXDJGDN-UWVGGRQHSA-N 301.368 -0.276 50 20 DBGD CC(C)(CCl)CS(=O)(=O)NCCN1C(=O)CNC1=O 866783877 XJJKVFLEFQBQIL-UHFFFAOYSA-N 311.791 -0.277 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)c2ncccn2)C1 884421395 SWOODGUAONYOKI-NSHDSACASA-N 302.338 -0.482 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)[C@@H]2CSCC(=O)N2)n1 896668706 KSUIFKUZQXZJSB-VIFPVBQESA-N 324.410 -0.003 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=S)NC(C)(C)C 899992058 LGWSQDUAYKSOKV-QMMMGPOBSA-N 324.472 -0.146 50 20 DBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H]1Br 912977272 HYCPXTSDBNEKDF-VGIXGZPDSA-N 304.144 -0.414 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1nccc(OC)n1 916516745 RDNQYILYBAUPKS-UHFFFAOYSA-N 318.359 -0.949 50 20 DBGD O=C(/C=C\c1cccnc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1115887160 ZWTHLRVMVAGJPK-BYCRGOAPSA-N 324.362 -0.388 50 20 DBGD COc1ncncc1NC(=O)C(=O)NNC(=O)C1CCCC1 1116597603 LBNNTLPWXPFEEA-UHFFFAOYSA-N 307.310 -0.239 50 20 DBGD C[C@@]1(NNC(=O)N[C@H]2CC[C@H](O)CC2)CCS(=O)(=O)C1 1118002862 IHGRHECMPIEVNM-CKYFFXLPSA-N 305.400 -0.329 50 20 DBGD CN(NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(N)=O 1261813914 JWSLLMQZYFDDHY-UHFFFAOYSA-N 306.322 -0.186 50 20 DBGD O=C(CCc1ccncc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318462092 APUVWMKRTYMLKH-LLVKDONJSA-N 311.363 -0.404 50 20 DBGD O=C(CC1(O)CCCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1318853734 SIUPOHTUZTVIFW-SECBINFHSA-N 319.383 -0.801 50 20 DBGD O=C(NCCS(=O)(=O)CC1CC1)NNC(=O)c1ccc[nH]1 1319230745 SPHCIWDTQJMXHW-UHFFFAOYSA-N 314.367 -0.217 50 20 DBGD N#CCc1ccccc1CC(=O)NNC(=O)C(=O)NC1CC1 1319864241 SBYGZVPKTWBFQM-UHFFFAOYSA-N 300.318 -0.279 50 20 DBGD O=C(/C=C/c1ccc[nH]1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320880947 AMQRPCGIPVZIJD-FSIBCCDJSA-N 312.351 -0.455 50 20 DBGD O=C(Cc1ccc(-n2cnnc2)cc1)N1CC[C@H](B(O)O)C1 1329672630 REPYVRWRVXMDQI-LBPRGKRZSA-N 300.127 -0.115 50 20 DBGD O=C(NNC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1)c1cccnn1 1336947123 KTLWCKBDGUFKRD-GAIPPQHRSA-N 301.306 -0.284 50 20 DBGD O=C(CCn1ccnn1)NNC(=O)c1n[nH]c2c1CCCC2 1338749453 GBSWMTAGRUNNBW-UHFFFAOYSA-N 303.326 -0.269 50 20 DBGD CNC[C@H](O)CN(C)CC(=O)NNC(=O)c1ccc(F)cc1 1578652560 JVQMIVGDPJXAHG-LBPRGKRZSA-N 312.345 -0.901 50 20 DBGD Cc1cc(C)nc(NNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)n1 1600182383 DOHVYFGSCKLXAL-IUCAKERBSA-N 324.341 -0.303 50 20 DBGD Cc1ccc2cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c2n1 1600501202 NMSMEOICQHZWFR-UHFFFAOYSA-N 316.273 -0.286 50 20 DBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)O1 1608479332 ZUJWLYUYWIFPTQ-GRYCIOLGSA-N 320.301 -0.230 50 20 DBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C2CC2)C1 1846761211 CESCRHJMTVWGAM-UHFFFAOYSA-N 322.409 -0.027 50 20 DBGD CC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 45826690 KKWVGQIUWVRLBN-JTQLQIEISA-N 319.317 -0.022 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(=O)(=O)NC)cs1 272695656 RQMDWSXAOMVJPS-UHFFFAOYSA-N 320.396 -0.038 50 20 DBGD CN(C)C(=O)NNC(=O)CCNS(=O)(=O)c1cccnc1 299403417 WMQYDOIMSIXPJH-UHFFFAOYSA-N 315.355 -0.948 50 20 DBGD C[C@@H]([C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1)n1cncn1 584945028 VKHPDCTWAHTJQN-BDAKNGLRSA-N 306.106 -0.524 50 20 DBGD CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584965630 UBYYKUBCCJPHIL-GWCFXTLKSA-N 322.145 -0.460 50 20 DBGD O=C(NC[C@@H]1CCCCS1(=O)=O)c1ccc(B(O)O)cc1 584974636 WSOBWDUBCLTOEG-LBPRGKRZSA-N 311.168 -0.937 50 20 DBGD CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584979306 PYJRFRLVDSBBGT-HNNXBMFYSA-N 322.145 -0.364 50 20 DBGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCB(O)O 585062295 FNIZNLDPXXJZEZ-VQHVLOKHSA-N 312.156 -0.905 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cc(Cl)ccc1O 727073152 VGOFBAAMRZVWNI-UHFFFAOYSA-N 302.743 -0.360 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 731598665 DZWZVJLYAUHQKX-UHFFFAOYSA-N 315.127 -0.196 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 734807040 RAEWBJHNXFTFOV-UHFFFAOYSA-N 312.351 -0.515 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccc(C(N)=O)cc2)cn1 735510144 XDOGMCAFVGPIMZ-UHFFFAOYSA-N 302.294 -0.015 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)CCNC(=O)O)cc1 738039714 MHUIARYLUNMIOA-UHFFFAOYSA-N 310.310 -0.088 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(OCC(=O)O)cc2)cn1 739023255 USAUTMVWJJECQL-UHFFFAOYSA-N 318.289 -0.042 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 743813150 MKEZXBDSZIQAGK-UHFFFAOYSA-N 322.277 -0.316 50 20 DBGD NC(=O)c1nccnc1C(=O)NNC(=O)CCc1ccccc1 746192432 VVNWXVIPURAXCR-UHFFFAOYSA-N 313.317 -0.031 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=S)NCCCN(C)C 748604713 ASERBDCJDHXCOT-JTQLQIEISA-N 306.432 -0.515 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 757709172 LLSFVHOZIDWJRU-UHFFFAOYSA-N 313.335 -0.185 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n[nH]1 763823531 CQISNGQLFYYOTJ-UHFFFAOYSA-N 302.294 -0.696 50 20 DBGD CCCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)C(C)(C)O 768246807 ZSOYFXKRKGWQDU-SECBINFHSA-N 317.411 -0.004 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CCN1CC(C)(C)O 782010223 DFTVTXPMWFLIGW-NSHDSACASA-N 312.414 -0.679 50 20 DBGD COc1cc(C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O)ccn1 782221278 KNBNWRGKOWVKLT-VIFPVBQESA-N 314.367 -0.132 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)c(C)n1 782556890 SXAZSMSZXUACPM-UHFFFAOYSA-N 306.326 -0.056 50 20 DBGD CC(C)NC(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815140263 WSFSBRNTVWTGJA-AOOOYVTPSA-N 308.338 -0.324 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc[nH]1 822067245 RWSOGMBIKQUVKQ-UHFFFAOYSA-N 311.323 -0.925 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)CN1CCCC1=O 825855778 UIOVYOSZGRQJHO-VWYCJHECSA-N 312.370 -0.247 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 843653641 CPGXLYJANVUWAW-SKDRFNHKSA-N 305.334 -0.100 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2cncn2C1)C(=O)N1CCCC1 844133494 VTLBXZXWUHBGEM-JTQLQIEISA-N 305.338 -0.785 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CCC(=O)N2)cc1 854261292 YQHHPJOSXVBJFO-NSHDSACASA-N 318.333 -0.250 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccc(C(N)=O)o1 854283228 MUAXAGUYBFCDRY-UHFFFAOYSA-N 314.367 -0.134 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CCC(=O)N1 854385734 CYTSRQMLSWOCFP-VIFPVBQESA-N 301.343 -0.408 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H](C3CCOCC3)C2)N1 858697652 UJUUNVLZRFMPIQ-VXGBXAGGSA-N 324.381 -0.246 50 20 DBGD COC(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(C#N)c1 863378755 JRAHBFZXYUHJBJ-AAEUAGOBSA-N 316.317 -0.328 50 20 DBGD Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863413888 USXBTYBPRKHQFR-SNVBAGLBSA-N 322.346 -0.545 50 20 DBGD COCCN(C)NC(=O)[C@@H]1CC[C@H]1C(=O)NN(C)CCOC 868242886 YERXQSODDVSHBJ-VXGBXAGGSA-N 316.402 -0.769 50 20 DBGD COC(=O)[C@H](Cc1ccccc1)NCC(=O)NNC(=O)C1CC1 878860296 FSTJAMIWQVFLBV-ZDUSSCGKSA-N 319.361 -0.082 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cn(C)c(=O)n1C 899992370 CANSQBHGOCRZQS-UHFFFAOYSA-N 315.399 -0.789 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc[nH]1)c1ncnc2[nH]cnc12 917940002 XXRVQMBMAJVLDY-UHFFFAOYSA-N 314.309 -0.422 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)CC(F)(F)F 918366483 QHKLPFHGWRFLGM-LURJTMIESA-N 317.289 -0.490 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(Cl)nc1 1115818681 PUHUGNDPVJATGR-UHFFFAOYSA-N 320.758 -0.431 50 20 DBGD NC(=O)C[C@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1 1118505636 FSXYCKREZRSPSL-MRVPVSSYSA-N 309.301 -0.228 50 20 DBGD O=C(NNC(=O)c1cnn(C(F)F)c1)C(=O)N1CCCC1 1118922117 ORUBVFLJDVGOLD-UHFFFAOYSA-N 301.253 -0.338 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCCc1nccs1 1118954426 OJIGOFZMTNCGCC-UHFFFAOYSA-N 305.381 -0.342 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc2c(c1)NC(=O)C2 1320173610 ZJEJIACLYGXLGE-UHFFFAOYSA-N 318.333 -0.604 50 20 DBGD CC(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1321152866 ZXXMXMJVNDMAFG-UHFFFAOYSA-N 309.322 -0.058 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCC(=O)OC1CCCCC1 1321456937 GOAGBCVCHGIYFA-UHFFFAOYSA-N 315.326 -0.244 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 1323453033 CQRYOEYIFHNCKZ-BDAKNGLRSA-N 314.342 -0.721 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C(N)=O)nc1 1324033621 CEWVDZKOIPVSIB-UHFFFAOYSA-N 324.337 -0.269 50 20 DBGD Cc1c(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cnn1C 1324292965 YVWRHTBLQAGANQ-GFCCVEGCSA-N 314.411 -0.237 50 20 DBGD Cc1nnc(NNC(=O)CCC(=O)c2cnn(C)c2)nc1O 1325017753 VRJITYSBMFRTSL-UHFFFAOYSA-N 305.298 -0.275 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1326054035 PSGDMGFCPGMXGI-SECBINFHSA-N 310.358 -0.713 50 20 DBGD Cc1csc(CCCC(=O)NNC(=O)CS(C)(=O)=O)n1 1329207272 GASJMZJKUVKJQV-UHFFFAOYSA-N 319.408 -0.034 50 20 DBGD Cc1cncc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1329698636 RFIXAGBWJMCTNG-JTQLQIEISA-N 312.351 -0.479 50 20 DBGD CCN1C[C@@H](CNC(=O)NNC(=O)C2CCOCC2)CC1=O 1330845953 VSIHSXYSTGJCGA-SNVBAGLBSA-N 312.370 -0.388 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 1338096408 FZEZJJNDGOBZSX-ZETCQYMHSA-N 303.365 -0.353 50 20 DBGD CCNC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1348110123 FSWNDOMNPUDZQO-SECBINFHSA-N 309.330 -0.843 50 20 DBGD COCCNCC(=O)NNc1cc(Br)ncn1 1579045612 YKEZRDSTJQGPCH-UHFFFAOYSA-N 304.148 -0.082 50 20 DBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1590635544 WCSBEPGSBCUDKT-UHFFFAOYSA-N 320.309 -0.044 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(OCC(=O)O)c1 1603068795 YVFDEGPQYACNOR-UHFFFAOYSA-N 323.305 -0.564 50 20 DBGD N#CC1(C(=O)O)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1608173487 WMBMIGNVHWGSDJ-UHFFFAOYSA-N 302.095 -0.803 50 20 DBGD COCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1795594344 AWYIAHJUYYJJDW-VLEAKVRGSA-N 304.774 -0.129 50 20 DBGD C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1800749525 RPCDQZSUGSLDBS-HOTMZDKISA-N 308.737 -0.509 50 20 DBGD C[C@H](O)CN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 189348102 XHORJNJYEPVILK-ZDUSSCGKSA-N 320.393 -0.554 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1OC 267105299 XJJXYYLOHOFBNB-UHFFFAOYSA-N 317.323 -0.396 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)COCc2ccccc2)O1 280088532 JWPZTHXRUZMJDK-NWDGAFQWSA-N 321.333 -0.617 50 20 DBGD O=C(CC1CC1)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 294194310 PAODRNAHKPNKIA-NUZBWSBOSA-N 317.345 -0.259 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@H]2CCCCO2)Cn2nnnc2N1C 295732707 MMLOSOZTANWFAV-SNVBAGLBSA-N 321.341 -0.887 50 20 DBGD O=C(NCCC(=O)N1CCCCCC1)c1ccc(B(O)O)cc1 584936798 IBKXPPWKXNBZAT-UHFFFAOYSA-N 318.182 -0.111 50 20 DBGD C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(B(O)O)c(F)c1 584957727 LOAKOQRRIYVCHM-KOLCDFICSA-N 311.118 -0.571 50 20 DBGD CCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C(C)(C)C1=O 584974141 MPZHHFIVEJGHNN-UHFFFAOYSA-N 322.145 -0.412 50 20 DBGD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(B(O)O)c(F)c1 584979729 CRBUTVWYWTUNEQ-KWBADKCTSA-N 320.129 -0.769 50 20 DBGD CCN1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584980153 RQVUSIPVJUOGOK-UHFFFAOYSA-N 308.118 -0.800 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 728872094 LMFBNIIUVXQIRU-UHFFFAOYSA-N 315.289 -0.787 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@H](C)NC(C)=O)cn1 729693236 OXFQYCVDBBGFPC-ZETCQYMHSA-N 311.367 -0.068 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(=O)Nc1cc(C)on1 731849017 QWMFOUSCHVUZPA-VIFPVBQESA-N 311.342 -0.201 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=S)NCCCN(C)C 748604719 ASERBDCJDHXCOT-SNVBAGLBSA-N 306.432 -0.515 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)[C@H]1CCOC1 748632500 DTZXKPPVBBOUJX-AXFHLTTASA-N 303.359 -0.207 50 20 DBGD COC[C@@H]1CCCN1C(=O)NNC(=O)CNC(=O)c1ccco1 752010634 STNVZYNJHNNABX-JTQLQIEISA-N 324.337 -0.139 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H](C)S(C)(=O)=O)nc1 759728308 AYUHPQXJVHHXEF-ZETCQYMHSA-N 301.324 -0.256 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(N(C)C)n1 763558744 WHOAPLIFFBWFIY-UHFFFAOYSA-N 305.338 -0.048 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 764202814 BJLWEBDLVFKELW-UHFFFAOYSA-N 323.740 -0.141 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 764303893 RGFLACWXHYZYJL-UHFFFAOYSA-N 317.305 -0.395 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ncccc1C 791220613 JVRJHHXHULCAGT-GFCCVEGCSA-N 319.365 -0.040 50 20 DBGD Cn1cc(C=NNC(=O)c2ccc(O)c(O)c2)c(=O)n(C)c1=O 794556615 BFKOLUDEVPRPEY-UHFFFAOYSA-N 318.289 -0.741 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CS(C)(=O)=O)C1 814643935 VTHGMYGJIXHYMQ-WDEREUQCSA-N 319.427 -0.311 50 20 DBGD COc1cccc(C(=O)NCC(=O)NNc2cnnn2C)c1 816768936 NOQAQILPJBIHFO-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ncncc1F 817070215 GRDGLWOAMOVRSW-SECBINFHSA-N 317.346 -0.127 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 823971082 OGPJTUGMLMBLTH-NSHDSACASA-N 315.395 -0.349 50 20 DBGD N#Cc1ccc(NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 826386265 WRUMLAZCXBVTNS-UHFFFAOYSA-N 310.281 -0.527 50 20 DBGD O=C(O)COc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1 833253485 GUGMKNYPQPNGDP-LLVKDONJSA-N 324.289 -0.674 50 20 DBGD Cc1ccc(F)c(S(=O)(=O)NNC(=O)NCC(=O)O)c1 833749728 SZQWOICMWJSICJ-UHFFFAOYSA-N 305.287 -0.289 50 20 DBGD CCNC(=O)N(C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 847687370 NVOUJOZEAQIKLS-UHFFFAOYSA-N 320.415 -0.259 50 20 DBGD COC[C@@H](OC)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 850201971 XGFDTWVVYVZHCP-GFCCVEGCSA-N 324.333 -0.039 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1CCNC1=O 855825335 BGXRWAJEKJDXJR-SECBINFHSA-N 312.370 -0.788 50 20 DBGD COC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 861193105 JCIAEEAPQDGIBK-ZETCQYMHSA-N 321.293 -0.701 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NC[C@H]1COCCN1 861682322 QPULWPOCQIVJCI-LBPRGKRZSA-N 322.365 -0.444 50 20 DBGD CCN(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862453804 ZGJQTPOOMVBTBA-GFCCVEGCSA-N 304.350 -0.061 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(C)C[C@@H]1Br 905361548 HHTVVOCCPVRJNP-WKEGUHRASA-N 306.160 -0.168 50 20 DBGD CCn1ccnc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118806847 BPEFDCWYJAWAEU-IUCAKERBSA-N 308.342 -0.427 50 20 DBGD Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118884279 DEWHRRVHDXJHRK-GMSGAONNSA-N 307.354 -0.054 50 20 DBGD COC(OC)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1118910508 IMDWUZLEVQYECW-ZETCQYMHSA-N 311.294 -0.389 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCn3cncc3C2)nn1 1319855808 JDNAXWCDXUWUDG-MRVPVSSYSA-N 301.310 -0.522 50 20 DBGD COc1ncncc1NC(=O)C(=O)NNC(=O)c1ccc(C)o1 1320236692 DIIFJISQPZLLRL-UHFFFAOYSA-N 319.277 -0.214 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)C(=O)NC1CC1 1321325158 IKVOVYWPOKTNAZ-SECBINFHSA-N 305.338 -0.734 50 20 DBGD CCOC(=O)/C(C#N)=C\NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321414514 GWNJNUNPRAWANN-WSQKDGNHSA-N 301.324 -0.988 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(OCC#N)c1 1323944482 YJFOUGBJSRYYMS-UHFFFAOYSA-N 320.305 -0.289 50 20 DBGD Cc1cc(CC(=O)NNC(=O)CNC(=O)c2ccco2)no1 1328347828 GMMAKUZNGXBQQG-UHFFFAOYSA-N 306.278 -0.304 50 20 DBGD CCOC(=O)/C(C#N)=C/NNC(=O)C(=O)Nc1ccccn1 1340277383 SZEOXSQXCHPLOF-CMDGGOBGSA-N 303.278 -0.389 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1c[nH]c(C(=O)O)c1 1595117264 WHEIUOVCKMKKPE-UHFFFAOYSA-N 310.310 -0.221 50 20 DBGD O=C(O)COCC(=O)NNC(=O)c1cc(Br)c[nH]1 1606273032 PTNMVYFAZZXSIO-UHFFFAOYSA-N 320.099 -0.361 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 1609085143 YMDJNTXIFBYPKV-UHFFFAOYSA-N 304.310 -0.673 50 20 DBGD COC(=O)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776011804 PLNRWEMTOBUNQW-UHFFFAOYSA-N 315.307 -0.261 50 20 DBGD CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796186964 BUXAMIFAVBRHPV-QDMKHBRRSA-N 316.166 -0.362 50 20 DBGD C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800979342 ANSSWHDCZORVFO-LSCVPOLPSA-N 314.769 -0.537 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)NC1CC1 49151043 YTPVHEFZAZVPAL-MRVPVSSYSA-N 307.397 -0.601 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)nnn1C 266016946 SJZGADCCUXUEDZ-LLVKDONJSA-N 317.305 -0.275 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 268438832 LFNAEJBFRUMPGK-SFYZADRCSA-N 310.314 -0.856 50 20 DBGD COC(=O)NC(C)(C)C(=O)NNC(=S)NCCSC 271369678 FXJVFRYZZDNDIF-UHFFFAOYSA-N 308.429 -0.021 50 20 DBGD CCc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccn1C 290249531 MYACQMBYTSFENC-QMMMGPOBSA-N 316.383 -0.714 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNC(=O)CC2CC2)C1 496920751 CJOSEYYNNZCDGY-UHFFFAOYSA-N 313.354 -0.084 50 20 DBGD CCC(=O)N[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584938026 UPUZCENTBXOSMK-CYBMUJFWSA-N 304.155 -0.503 50 20 DBGD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(B(O)O)cc1 584980312 WBHJXVJDMVUKHG-UHTWSYAYSA-N 302.139 -0.908 50 20 DBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H](C)[S@@]1=O 584988374 MKBUPWGPQBVJKZ-SXKUGOIWSA-N 309.196 -0.262 50 20 DBGD OB(O)c1ccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)o1 585028220 HCFGWNUNJGGBNL-KBPBESRZSA-N 308.187 -0.308 50 20 DBGD C[C@H](c1nc(-c2ccc(B(O)O)cc2)no1)N1CCOCC1 585050493 ARMRVBBNNMWWAO-SNVBAGLBSA-N 303.127 -0.190 50 20 DBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)C2CCC2)c1 732140786 KBZATAQKVGCYFX-UHFFFAOYSA-N 314.367 -0.174 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 756936833 VOCPVCXCQRKQCI-UHFFFAOYSA-N 306.304 -0.676 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 757634602 VQVYLHUTJTXRQM-ICCCGROCSA-N 310.354 -0.100 50 20 DBGD O=C(NNC(=S)NC[C@@H]1CCCCO1)C(=O)N1CCCC1 758217056 ROUGQDSGKQOCLY-JTQLQIEISA-N 314.411 -0.327 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 764317048 IKFHXULFRKRGEZ-UHFFFAOYSA-N 323.305 -0.420 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 764421119 GCEKEEYFDRPISX-UHFFFAOYSA-N 305.212 -0.216 50 20 DBGD C[C@@H]1CN(C)C(=O)CN1CC(=O)NNC(=O)c1ccccc1 782593199 TUVKAFHZYOYYPP-LLVKDONJSA-N 304.350 -0.390 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 798305859 JMVJYBDZCJYBCG-MRVPVSSYSA-N 306.413 -0.908 50 20 DBGD CCO/C=C(/C#N)C(=O)NCCCn1c(=O)ccn(C)c1=O 819536985 CYXWMBZTDFRSNQ-KHPPLWFESA-N 306.322 -0.503 50 20 DBGD C[C@H](C(=O)NN(C)C1CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 819648925 XOAOXIQTKZJTLH-RGHQJQCBSA-N 307.350 -0.337 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)C2CCC2)n1 824449840 ZNHQSSKEAQTJHA-UHFFFAOYSA-N 310.314 -0.206 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 826753185 APIWVXJRYUHECO-UHFFFAOYSA-N 306.330 -0.537 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CCC1)n1cnc2c(N)ncnc21 827215720 BYMSIKPTVKPZTD-SSDOTTSWSA-N 303.326 -0.083 50 20 DBGD C[C@H](CC(=O)O)C(=O)NNC(=O)CNC(=O)c1cccs1 827303440 FKFFECSJUJLVSI-SSDOTTSWSA-N 313.335 -0.264 50 20 DBGD C[C@@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1 839533838 YWZVAKONJQIKNO-MFKMUULPSA-N 302.334 -0.226 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCc3nnnn3CC2)n1 845933498 CGLPGBQPPSLODR-LURJTMIESA-N 323.748 -0.206 50 20 DBGD CC(=NNC(=O)C(N)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 853260575 ZHEJAOYFSNODLN-SECBINFHSA-N 314.342 -0.400 50 20 DBGD CC(C)(C)n1cnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860921179 PIXKOJPLBFJPQS-ZETCQYMHSA-N 309.330 -0.536 50 20 DBGD O=C(NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)c1ncccn1 862005706 HNYGQCOFVAJTLE-OAHLLOKOSA-N 317.349 -0.066 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 864232061 VXRGFFZTJKETBV-JTQLQIEISA-N 313.140 -0.289 50 20 DBGD COC[C@](C)(CO)NCC(=O)NNC(=O)c1ccc(C)cc1 879164135 WGNZRPCZZRSDCZ-HNNXBMFYSA-N 309.366 -0.257 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 910170822 OODNBDPHOPVGCL-LLVKDONJSA-N 315.395 -0.349 50 20 DBGD Cn1ccnc(NNC(=O)CNC(=O)c2cccc(O)c2)c1=O 1116697424 MAACJNDUIUQHKU-UHFFFAOYSA-N 317.305 -0.641 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](S(C)(=O)=O)CC1 1116928003 HIMNLBBIBDOZJR-WDEREUQCSA-N 319.427 -0.169 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=S)NC(C)C)CC1=O 1317793667 IZGKQFOZOAVOBL-VIFPVBQESA-N 302.400 -0.615 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccnc(-n3cncn3)c2)cn1 1318657316 ZPEFNLCHWGIFGA-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD O=C(NNS(=O)(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1320563469 XDLSOGAXKFQOPY-ZETCQYMHSA-N 308.337 -0.976 50 20 DBGD CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)OC)c1 1320579973 KQFDNSWIZWBHDZ-UHFFFAOYSA-N 321.289 -0.462 50 20 DBGD CCc1nn(CC(=O)NNC(=O)C2CC2)c(=O)c(C#N)c1CC 1323205920 ORYNSAUPPSPBRF-UHFFFAOYSA-N 317.349 -0.203 50 20 DBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1332549150 PTCYWIYTFRBISN-ZETCQYMHSA-N 300.296 -0.132 50 20 DBGD C[C@@H]1Cc2cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc2O1 1337203291 OYHHZCQRAUJFLD-SECBINFHSA-N 320.349 -0.343 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)C(=O)N2CCCC2)c(O)n1 1338089415 QGNGRXDNOLCJCL-UHFFFAOYSA-N 321.337 -0.889 50 20 DBGD CS(=O)(=O)C1(C(=O)NNc2nncc(N)c2Cl)CC1 1339564534 MQOMTLYTSOFLGD-UHFFFAOYSA-N 305.747 -0.268 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@]1(C)C[C@@H]1Br 1351153089 NLVIMAVEUQOZCM-CDUCUWFYSA-N 308.132 -0.337 50 20 DBGD CC(C)[C@H](N)C(=O)NCC(=O)NNC(=S)N[C@H](C)C1CC1 1576233688 KBSYTTZKPLGUFE-KCJUWKMLSA-N 315.443 -0.620 50 20 DBGD Cc1nc(C(=O)NNC(=O)c2cn[nH]c2)ccc1-c1nn[nH]n1 1581434158 MGBKMPJSUUEVBJ-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 1588870004 PEWVHXFDJSYQTA-UHFFFAOYSA-N 323.700 -0.374 50 20 DBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNC(=O)NCC1CC1 1591876063 QTFHPLVHNAVXEP-UHFFFAOYSA-N 316.325 -0.076 50 20 DBGD Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NNC(=O)C(=O)O 1600237453 YYDRZVNMWXNENT-UHFFFAOYSA-N 322.321 -0.460 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1C[C@@H](C(=O)O)C1 1606871495 LYNMVTKRFQOVLD-DTORHVGOSA-N 303.384 -0.029 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCCO2 48962107 XPKNHFWAKUXXDK-UHFFFAOYSA-N 301.324 -0.030 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CC[C@@H](CO)C1 156192958 BBGFPOWFRDQRHY-CYBMUJFWSA-N 305.378 -0.001 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CC(=O)N(C)C2)cc1 267784408 YSPUSZYNCWFEHM-NSHDSACASA-N 320.349 -0.065 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2nc(C)cc2C)O1 289448113 DPZDNPGRBQXHLT-WDEREUQCSA-N 324.337 -0.632 50 20 DBGD COC(=O)NNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 298290998 DPKMRUYVTYNKBU-ISVAXAHUSA-N 312.326 -0.126 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)NC(=O)C1CCCC1 298694706 DKQHAFDQUBNJRR-VIFPVBQESA-N 312.370 -0.647 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)NC1CC1 299248244 NUKQXDCFRZMQMP-NKWVEPMBSA-N 308.260 -0.064 50 20 DBGD O=C1C[C@H](C(=O)Nc2cccc(B(O)O)c2)[C@@H]2CCCC[C@@H]2N1 584912960 YGBBMWJFNDKIKR-IHRRRGAJSA-N 316.166 0.000 50 20 DBGD COCCN1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584933026 DKBQYHPBWKRMMU-UHFFFAOYSA-N 324.161 -0.700 50 20 DBGD CCC(=O)N1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584933316 ZUASHNUFZRCOMF-UHFFFAOYSA-N 322.145 -0.410 50 20 DBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(B(O)O)c(F)c1 584936424 INNWWFGYNKKEIF-VXGBXAGGSA-N 322.145 -0.902 50 20 DBGD CC1(C)CN(CCNC(=O)c2ccc(B(O)O)c(F)c2)CCO1 584937542 VIVXKXJLSZDIDU-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(NCCOC[C@@H]1CCCO1)c1cc(B(O)O)ccc1F 584947104 GLCXZHFKFQSAKD-NSHDSACASA-N 311.118 -0.569 50 20 DBGD CC(C)[C@@H](CNCc1ccc(B(O)O)o1)N1CCN(C)CC1 585017519 CENQCZIMXVRCQE-CQSZACIVSA-N 309.219 -0.679 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)cc2)CCN1CC(F)(F)F 585024313 UAGDBQQGGYRYRI-NSHDSACASA-N 316.088 -0.381 50 20 DBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)NCCc1ccccc1 585044185 AKSCWNSUHMYGJY-LBPRGKRZSA-N 316.166 -0.204 50 20 DBGD O=C1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)CN1CC(F)(F)F 585078383 YFSDBJLECNVBPX-YUMQZZPRSA-N 308.065 -0.528 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)N2CCS(=O)(=O)CC2)cc1 729227566 LNQLEMVDYHDLAS-UHFFFAOYSA-N 322.346 -0.357 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1OC 729833677 NLGWQSMSEHIUCJ-SECBINFHSA-N 307.306 -0.257 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C2(C(N)=O)CC2)cc1 731729350 KVPAULKEJQNQCF-UHFFFAOYSA-N 319.317 -0.435 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 731879559 NDQVDIQIZIBVEN-NOZJJQNGSA-N 323.378 -0.067 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](OCCO)C1 744401452 AEGSNYQGAMAQFM-NSHDSACASA-N 301.387 -0.347 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)CCN(C)C 748622123 DCXPLDKHPXIKAF-QWRGUYRKSA-N 304.391 -0.292 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNC(=O)CO)c1c(F)cccc1F 753453096 XUTSMZGSERKFRS-JTQLQIEISA-N 315.276 -0.328 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)c1O 754461687 GPMJSQQJNFFMPW-QMMMGPOBSA-N 307.306 -0.312 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)COc1ccccc1OC 754974718 QNMUWJQBQHYAAU-AWEZNQCLSA-N 312.322 -0.381 50 20 DBGD C#Cc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 755603122 IFRMHNKUGMJRFQ-VIFPVBQESA-N 324.362 -0.242 50 20 DBGD CC(C)c1cnc(NC(=O)C(=O)NNC(=O)CN(C)C)s1 756154984 KEPGBYYBKIJABU-UHFFFAOYSA-N 313.383 -0.086 50 20 DBGD NC(=O)N[C@H](CO)C(=O)NNc1ccc(C(F)(F)F)cn1 775254757 FNUKUCHLDXKCAK-ZCFIWIBFSA-N 307.232 -0.427 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1O 785410332 XLOGLYZOGYIQQH-UHFFFAOYSA-N 302.290 -0.353 50 20 DBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 795874239 VQLQDDFLHBAZKJ-LLVKDONJSA-N 310.354 -0.843 50 20 DBGD C=CCNC(=S)NNC(=O)c1cccc(OCC(N)=O)c1 798306000 PJDOOCOGUURQGZ-UHFFFAOYSA-N 308.363 -0.154 50 20 DBGD Cn1nncc1NNC(=O)CCn1nnc2ccccc2c1=O 816771485 OSBZGHVKSLLNMH-UHFFFAOYSA-N 314.309 -0.547 50 20 DBGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CC2CC2)o1 819136176 ORJOZWNBTJXBBR-UHFFFAOYSA-N 315.351 -0.110 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cn2)n[nH]1 822177009 REGRFBFDSKTDBZ-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCc2nnnn2CC1 827187589 GNFVFNWLINOFJC-LPEHRKFASA-N 323.357 -0.867 50 20 DBGD Cc1nccc(N2CCN(CC(=O)NNC(=O)C(C)C)CC2)n1 828868742 WBLPJKUESCEOKE-UHFFFAOYSA-N 320.397 -0.290 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843646384 PYVVEAGYMKYGLM-HRDYMLBCSA-N 313.383 -0.132 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843972520 AVORIDYIPLUJMF-UWVGGRQHSA-N 321.399 -0.770 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 845484982 CGDPLWFVJGCXBQ-QWRGUYRKSA-N 312.370 -0.246 50 20 DBGD O=S(=O)(CBr)N1CC[C@H](N2CCNCC2)C1 850587596 DUPXATJHHVLZIM-VIFPVBQESA-N 312.233 -0.352 50 20 DBGD C=CCNC(=S)NNC(=O)C[C@H](C(C)=O)C(=O)OCC 854185788 KFJQBSARLAOIBK-SECBINFHSA-N 301.368 -0.174 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 854236516 LXSROCHKMLXCLB-NSHDSACASA-N 320.309 -0.915 50 20 DBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 854294739 KHGIMNFYAJVTPE-OPRDCNLKSA-N 318.395 -0.228 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 858218844 WJHMAYTWVOMBMF-WDSKDSINSA-N 312.248 -0.827 50 20 DBGD COc1ccc(O)c(C(=O)NNC(=O)CS(C)(=O)=O)c1 863458913 IREPJCODWFVGEF-UHFFFAOYSA-N 302.308 -0.794 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(O)c1C 863464948 ZCJXTONLUVFWHY-UHFFFAOYSA-N 300.336 -0.185 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CC(N3CCOCC3)C2)cn1 911631589 ARMPCXVWHQKUFT-MLPAPPSSSA-N 301.350 -0.130 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1csc(N)n1 920385109 UZEADLOWDLTRIW-ZETCQYMHSA-N 317.396 -0.064 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)OC)c1 1116618343 SEVIOCWWYQEMKV-UHFFFAOYSA-N 323.305 -0.266 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 1320183887 RIKFEFATLUZAON-UHFFFAOYSA-N 304.310 -0.465 50 20 DBGD COC[C@H](NC(=O)c1c(C)nn(CCCl)c1C)C(N)=O 1320272780 RAKLBEBHAFBGCA-VIFPVBQESA-N 302.762 -0.031 50 20 DBGD CN1CCC2(CCN(CC(=O)NNC(=O)C3CC3)CC2)C1=O 1320876453 OEYJMYDAKZDBIB-UHFFFAOYSA-N 308.382 -0.512 50 20 DBGD COCCC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1322799870 FAPMMKOEQCDRTI-SECBINFHSA-N 319.383 -0.679 50 20 DBGD CNC(=O)c1cccc(CCNC(=O)NNC(=O)C(=O)OC)c1 1323456793 VJRDHTHPNLSGRA-UHFFFAOYSA-N 322.321 -0.908 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nnc2n1CCC2 1326269185 FVPAWCVNWPEROY-DTWKUNHWSA-N 308.342 -0.520 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nnc2n1CCC2 1326269187 FVPAWCVNWPEROY-RKDXNWHRSA-N 308.342 -0.520 50 20 DBGD NC(=O)C1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 1326427859 DHMKGIMHJHFTRO-UHFFFAOYSA-N 305.338 -0.438 50 20 DBGD Cc1nc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1329871215 NBJOUPYTLPJVQY-SECBINFHSA-N 311.367 -0.397 50 20 DBGD CC(Cn1cncn1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1330645426 NIEFMTKWIXDDFE-SECBINFHSA-N 300.344 -0.860 50 20 DBGD COc1cc(CC(=O)NN(C)C(=O)N2CCNCC2)ccc1O 1579146729 RMCBXRGXGULDQB-UHFFFAOYSA-N 322.365 -0.069 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NCCOCCOCC(=O)O 1588631027 ZEVZNSZYNMGHNV-UHFFFAOYSA-N 305.331 -0.519 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCO2)ncc1-c1nn[nH]n1 1591930319 QHKIEKLPPCQSMP-SNVBAGLBSA-N 317.309 -0.490 50 20 DBGD C[C@H](CC(=O)O)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1592360340 UKYISIDYZLTKMJ-MWLCHTKSSA-N 313.354 -0.502 50 20 DBGD CCN1CCO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1604345870 LUTHWKKUGPUVMF-JTQLQIEISA-N 318.341 -0.575 50 20 DBGD CN1CCN(C(=O)NN=C2CCN(CCC(=O)O)CC2)CC1 1610133738 JLSJYUPRVVAXJW-UHFFFAOYSA-N 311.386 -0.130 50 20 DBGD O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)C(=O)NC1CC1 9889183 ZPMDKLKLCBYQEF-UHFFFAOYSA-N 319.317 -0.574 50 20 DBGD COCCCNC(=O)NNC(=O)Cn1c(C)cc(O)cc1=O 268407940 COUYGIJYBUFNHL-UHFFFAOYSA-N 312.326 -0.771 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](O)C[C@H]1CO 274586272 GJLZZJQAQWOJHT-KBPBESRZSA-N 321.377 -0.888 50 20 DBGD COCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCC1 283853220 IBIFFAIZCLYROJ-UHFFFAOYSA-N 309.322 -0.027 50 20 DBGD COC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 298828428 UEZINVYDGDODAA-UHFFFAOYSA-N 309.278 -0.425 50 20 DBGD CC(C)NC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 299306422 QLRNXDAIVUDPJF-QSFUFRPTSA-N 320.349 -0.468 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@](O)(C(F)(F)F)C1 584957832 SCIGSQKXUWSUOA-GFCCVEGCSA-N 317.072 -0.104 50 20 DBGD NC(=O)[C@@H]1CCCN(CCCNCc2ccc(B(O)O)cc2)C1 585022320 MACDDKWASBMALZ-CQSZACIVSA-N 319.214 -0.957 50 20 DBGD O=S1(=O)CC[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)C1 585052326 ZBNPPVHQUDBTIQ-SECBINFHSA-N 322.151 -0.606 50 20 DBGD Cc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)nnn1C 741660454 PMGXGJQVOPEYQP-UHFFFAOYSA-N 303.278 -0.073 50 20 DBGD O=C(CC1(O)CCCCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 746102669 JPHBEHUNLCNVQI-JTQLQIEISA-N 318.395 -0.346 50 20 DBGD CN(C)c1ncccc1C(=O)NNC(=O)C(=O)N1CCCC1 748245455 NPLOUTRPJKXOLR-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)Cc1cn2ccccc2n1 755019936 CEXLMFAGPBABNV-AWEZNQCLSA-N 306.322 -0.578 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccnc(C(=O)N(C)C)c1 763268007 WOTURNVYLMNXNX-UHFFFAOYSA-N 308.342 -0.502 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H](C)C1 763895550 NGGYAGIMOKTOGD-VHSXEESVSA-N 305.400 -0.701 50 20 DBGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)N(C)C)ccnc12 769743473 ZPHZYJAXBJXKIT-UHFFFAOYSA-N 320.309 -0.178 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@H](S(C)(=O)=O)C1 800466822 HVTIBIRXPGBKDM-MNOVXSKESA-N 319.427 -0.313 50 20 DBGD COCCN(C)NC(=O)CCNS(=O)(=O)c1ccccc1 808073106 AWKVNECBHGKAAZ-UHFFFAOYSA-N 315.395 -0.036 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825770932 SNUAJJGNHNFLEA-VXGBXAGGSA-N 316.402 -0.290 50 20 DBGD CO[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826903781 WEBJPNZANKHXLH-DDHJBXDOSA-N 315.370 -0.207 50 20 DBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842590337 OEUHVWVQOALSHE-RKDXNWHRSA-N 302.356 -0.537 50 20 DBGD Nc1nccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1[N+](=O)[O-] 848157969 MMPFWVSYAGEOPT-QMMMGPOBSA-N 309.282 -0.098 50 20 DBGD CC1CCN(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858151383 DHAAHABPEZQTHF-NSHDSACASA-N 311.386 -0.673 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CN1C1CC1 858289226 WIPJTHFBVITVGL-FXPVBKGRSA-N 309.370 -0.779 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cnc3c(c2)COCC3)N1 860893199 WDYLQHSQIDNCJD-LLVKDONJSA-N 319.321 -0.414 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)N1 862450705 ZNVRVTZZCFUQLB-WDEREUQCSA-N 317.301 -0.806 50 20 DBGD COC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862454465 GMTDGLXKRKDKSS-SNVBAGLBSA-N 320.305 -0.096 50 20 DBGD C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456302 OCXNEVKTZJDFPM-RSAASHCRSA-N 319.361 -0.033 50 20 DBGD Cc1cc(F)cc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 863414323 ZGOUYIZPCSASQX-SNVBAGLBSA-N 315.326 -0.278 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 894134385 KEJNKSCTRBEIMO-ZUZCIYMTSA-N 302.334 -0.395 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CN1CCN(c2ccccn2)CC1 910164390 YBEHNBZMQZGXBU-CYBMUJFWSA-N 307.398 -0.453 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CNC(=O)C1CC1 918690598 JGEXCQDMSYLQPL-UHFFFAOYSA-N 321.333 -0.252 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H]1CCS(=O)(=O)C1 919889260 KHBHTEYIPRCWFM-XWLWVQCSSA-N 315.395 -0.060 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1O 1320923016 JTZAKIZTMOWBDO-SNVBAGLBSA-N 323.330 -0.540 50 20 DBGD COC(=O)c1occc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1322438076 MUNLYTUKXCELBG-ZETCQYMHSA-N 317.323 -0.546 50 20 DBGD NC(=O)c1ccc(NNC(=O)CCCCN2CCOCC2)nn1 1322472037 QQCHNYPMENUENK-UHFFFAOYSA-N 322.369 -0.479 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCc2nc(N(C)C)no2)n1 1324014550 OKGQJMNHRKYLKN-UHFFFAOYSA-N 319.325 -0.017 50 20 DBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C1CCC1 1324239295 FFVWTWFXFCFOFY-UHFFFAOYSA-N 323.309 -0.907 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1C 1325515021 CPEIGGWMMZOVME-UHFFFAOYSA-N 324.385 -0.635 50 20 DBGD COC(=O)c1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1328783353 LGDXHGUOSJMPTD-QMMMGPOBSA-N 324.293 -0.825 50 20 DBGD C[C@H](NNC(=O)c1cn(CC(=O)N(C)C)nn1)C(F)(F)F 1329065243 ZNYCUNKFWBDMQS-LURJTMIESA-N 308.264 -0.449 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(O)n1 1329547770 NDYQPMTUVYRENU-SCZZXKLOSA-N 308.338 -0.086 50 20 DBGD N#CCc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1348421989 DNAPCZSHTPMNQY-NSHDSACASA-N 322.346 -0.659 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cn(C)nn1)[C@H](N)c1ccccc1 1575072307 TYBUVXHZKMHWTC-SKDRFNHKSA-N 302.338 -0.088 50 20 DBGD CO[C@]1(C(=O)O)CCN(CC(=O)NNC(=O)C(C)(C)C)C1 1599076658 QWJNPYQHGRQSCI-CYBMUJFWSA-N 301.343 -0.645 50 20 DBGD Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNC(=O)C(=O)O 1600309295 WCAUUJXDJJGDRY-UHFFFAOYSA-N 304.262 -0.353 50 20 DBGD O=C(O)[C@H]1CSCCN(C(=O)c2ccc(B(O)O)cc2)C1 1601856573 QGZCWZPDIDJTSW-SNVBAGLBSA-N 309.152 -0.744 50 20 DBGD CON(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605141807 XQQNGIWSJRJKSD-UHFFFAOYSA-N 305.298 -0.879 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cc(-c2nn[nH]n2)ccn1 1606851942 SRMCKBXHNYFOKC-JTQLQIEISA-N 317.309 -0.408 50 20 DBGD O=C(c1ncon1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847566277 RYLADWHINOXUGC-CIUDSAMLSA-N 314.729 -0.515 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 43713709 PTIACXRJRDBYLE-UHFFFAOYSA-N 322.321 -0.510 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 61544666 VNGJPFNPNYYDSO-UHFFFAOYSA-N 324.293 -0.354 50 20 DBGD CN(CC(=O)NNC(=O)NC1CC1)c1ncnc2nc[nH]c12 143232482 UUXVCRHRMOZQSA-UHFFFAOYSA-N 304.314 -0.718 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)C(=O)N1CCCC1 264481229 HUTFAFFINNURTR-UHFFFAOYSA-N 317.367 -0.948 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 584964673 JYSQJWNRNSNWHF-WDEREUQCSA-N 317.072 -0.106 50 20 DBGD CCN1CCN(C(=O)c2ccc(B(O)O)cc2)C(C)(C)C1=O 584974834 RRSSRXWXDOSOKC-UHFFFAOYSA-N 304.155 -0.551 50 20 DBGD O=C(NCC1(N2CCOCC2)CC1)c1ccc(B(O)O)c(F)c1 584982961 NSKNNXNNOOYKKM-UHFFFAOYSA-N 322.145 -0.900 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](C(=O)N2CCCC2)C1 584990580 ZHOPVJRKMDVNAK-CYBMUJFWSA-N 316.166 -0.549 50 20 DBGD OC[C@@H]1CCCCN1c1cc(N2CC[C@H](B(O)O)C2)ncn1 585078928 PQXBNKUAHXFMEN-RYUDHWBXSA-N 306.175 -0.119 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@H]1CCS(=O)(=O)C1 732196548 AGYQBZBCEZCTTE-GHMZBOCLSA-N 319.427 -0.313 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1 739129218 RJCKORCXTOXEED-QWRGUYRKSA-N 303.274 -0.195 50 20 DBGD CC(C)C(=O)NNC(=O)COc1ccc(S(N)(=O)=O)cc1 749719604 PTBTVKWIYMJSIQ-UHFFFAOYSA-N 315.351 -0.484 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCCS(C)(=O)=O)o1 752360385 AKKZNGKGSKYUSL-UHFFFAOYSA-N 303.340 -0.033 50 20 DBGD CC(C)c1nnc(NC(=O)CCC(=O)NNC(=O)CO)s1 753438894 SWXPAMBQRDIWAM-UHFFFAOYSA-N 315.355 -0.480 50 20 DBGD CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)COC)c1 755918944 KZJZMUSZUDDEIE-UHFFFAOYSA-N 310.310 -0.146 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(N2CCOCC2)cn1 772414335 QXWLWMHNYBMFFP-UHFFFAOYSA-N 322.369 -0.368 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@@H]2C#N)c1 777618932 GUQTXTIVDCYWEE-ZDUSSCGKSA-N 302.334 -0.020 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CCO)C(C)(C)C1 781961511 UFWCGXOYZSEEIC-NSHDSACASA-N 300.403 -0.679 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 782478198 JLDDTZONQKXJHN-UHFFFAOYSA-N 303.300 -0.156 50 20 DBGD O=C(NNc1nc2ccccn2n1)N[C@H]1CCCS(=O)(=O)C1 790450282 JGCVROBMOSQMKM-VIFPVBQESA-N 324.366 -0.067 50 20 DBGD Cn1nnnc1SCCC(=O)NNc1nc2ccccn2n1 791244523 ZPXDENGQANCMRE-UHFFFAOYSA-N 319.354 -0.122 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCC(F)(F)C1 795080573 LEMKDZBHLFUKLB-RQJHMYQMSA-N 313.326 -0.493 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COCc1ncc(C)o1 803899399 FAWFYPMDVLNHFQ-SECBINFHSA-N 313.310 -0.011 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)N1CCN(C)CC1 807382616 HQINKVSWMAUYOK-UHFFFAOYSA-N 323.353 -0.694 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)CN1CCOCC1 825660326 MHZCFZUXFBYNHE-GRYCIOLGSA-N 314.386 -0.538 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)NC[C@H](C)CN 841962487 JKYFJFJDMQSKCU-SNVBAGLBSA-N 310.354 -0.001 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 842593756 XKJLIFOUJUEAAZ-GARJFASQSA-N 306.384 -0.069 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 847284332 FKEOYFMGHYLMPP-DTWKUNHWSA-N 305.290 -0.312 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)c2ncccn2)n1 848225641 IMUMESMCGSZOIU-UHFFFAOYSA-N 303.326 -0.691 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C12CCC2 858697534 SPPDRRQAQXJZBJ-HBNTYKKESA-N 324.381 -0.057 50 20 DBGD CN(NC(=O)OCc1ccccc1)C(=O)[C@H](CO)NC(N)=O 862289408 FFKMWPYXMOTPAZ-JTQLQIEISA-N 310.310 -0.685 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H](O)c2ccc(Cl)cc2)N1 862460848 HMMZKFMFDMCROV-GXSJLCMTSA-N 311.725 -0.201 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c2c1CCCC2 862462178 VEWBANJEFGUWGK-SECBINFHSA-N 305.338 -0.662 50 20 DBGD CON(C)C(=O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863883016 UPPTUBIILGFTFA-UHFFFAOYSA-N 320.154 -0.762 50 20 DBGD C[C@]1(C(=O)NNC(=O)COc2ccc(F)cc2)CCNC1=O 873798445 IOHKIRVOYLATQY-AWEZNQCLSA-N 309.297 -0.122 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NN(C)C[C@@H](C)O)c1 910160643 MQIZPEZVYCMHLU-LLVKDONJSA-N 309.366 -0.302 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)c1ccc[nH]1)n1cccn1 918690457 ALZSWAMQWUCLTR-SNVBAGLBSA-N 318.337 -0.308 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C1(O)Cc2ccccc2C1 1119600538 VYFSJHYKSDQUDX-UHFFFAOYSA-N 317.345 -0.714 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1C 1255507725 CYLRAKZTIQNBSY-UHFFFAOYSA-N 322.321 -0.680 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC(C)C)cc1 1317703394 KQJXOQPGKMDJPL-UHFFFAOYSA-N 306.322 -0.394 50 20 DBGD O=C(Cc1csc(-c2nc[nH]n2)n1)NNC(=O)NC1CC1 1318328439 UCMPVQLNZZYWDD-UHFFFAOYSA-N 307.339 -0.037 50 20 DBGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)C2CC2)c1 1321140565 MNBJTPDBOJLIGM-UHFFFAOYSA-N 318.333 -0.149 50 20 DBGD Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 1321266329 QGDNGNUBYNNQHD-UHFFFAOYSA-N 316.321 -0.250 50 20 DBGD O=C(CCCc1nc(C2CC2)no1)NNC(=O)[C@@H]1CCC(=O)N1 1329078934 RNRBCTLUVCEAOX-VIFPVBQESA-N 321.337 -0.304 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NN=c1cc[nH]cc1 1342032890 ADZFDESLOCLNHG-JTQLQIEISA-N 301.393 -0.133 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NN(C)C(=S)NC)CC1 1351032820 JVBVJBNNFMXIKU-UHFFFAOYSA-N 322.456 -0.485 50 20 DBGD N[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1580371254 RIJASUPTYZWXPN-LPEHRKFASA-N 303.384 -0.914 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1590365333 DSNUECXIERBMAT-ZCFIWIBFSA-N 321.297 -0.703 50 20 DBGD O=C(CO[C@H]1CCOC1)NNc1ccc(-c2nn[nH]n2)cn1 1592886444 PIAHECJBLFQJBM-VIFPVBQESA-N 305.298 -0.490 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1596859955 HRGWAGGQSAKCHS-PABFRNLHSA-N 323.349 -0.182 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1ccnnc1 1606853831 HHUGNFRRLYELBG-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD CCC(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563216 NAZOVYIBQULLEB-ATZCPNFKSA-N 302.758 -0.233 50 20 DBGD CC[C@H](C(=O)NNC(=O)Cn1ncn(C)c1=O)c1ccccc1 181772667 WADPHHVJNCMGNI-LBPRGKRZSA-N 317.349 -0.077 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)CC(=O)OC 268226407 SOARAOVTFVLTCB-MRVPVSSYSA-N 301.343 -0.362 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)CNC(=O)NC)cc1OC 270468997 LTNQHTYHUPXRKT-UHFFFAOYSA-N 324.337 -0.216 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 274022377 AUMZRAQQDLFCHV-UHFFFAOYSA-N 308.338 -0.267 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)c1ccncc1 298946881 DRARIXCSGXVAII-UHFFFAOYSA-N 312.351 -0.732 50 20 DBGD CCN1C(=O)c2ccc(C(=O)NNC(C)=O)cc2S1(=O)=O 299222961 NGIMWPFTZQWLMI-UHFFFAOYSA-N 311.319 -0.368 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1COCCN1CC 377211995 HOOMJQIHIRREOV-LLVKDONJSA-N 317.386 -0.356 50 20 DBGD CC(C)CN1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 405004956 QOTXXAULPUDKAO-NSHDSACASA-N 304.155 -0.191 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1csnc1C(=O)OC 493501046 VFQQWOLMLLOQQG-UHFFFAOYSA-N 309.325 -0.131 50 20 DBGD COCC1(O)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584968022 QVJQDVWYKJADHN-UHFFFAOYSA-N 311.118 -0.881 50 20 DBGD COCCn1cc(CNC(=O)c2ccc(B(O)O)cc2)cn1 584987146 QYNFZJUISGPBDI-UHFFFAOYSA-N 303.127 -0.861 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1cccnc1 725897111 VIHCJRSXLYKTEB-SECBINFHSA-N 314.367 -0.901 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCN(C)C2=O)c1 771865658 BKVMGJNOKVUHFP-LBPRGKRZSA-N 305.334 0.000 50 20 DBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CO1 784295259 DPABKERMQSZCCC-MWLCHTKSSA-N 316.321 -0.152 50 20 DBGD CS(=O)(=O)NC1CC(NS(=O)(=O)CBr)C1 800954905 KLJRPBPCZOHVRE-UHFFFAOYSA-N 321.218 -0.662 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C(N)=O)o1 807370084 UZFQNMSTLIJDCF-UHFFFAOYSA-N 313.310 -0.071 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc(-n2cnnc2)cc1 819507892 DGXSYPWMPOWAOH-UHFFFAOYSA-N 303.322 -0.272 50 20 DBGD O=C(Cn1ccnc1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 823123201 RRQLYTUMTNGHLJ-UHFFFAOYSA-N 312.293 -0.476 50 20 DBGD O=C(NCC1SCCS1)NNC(=O)C(=O)N1CCCC1 823407059 KUGMCHRVDTWUKF-UHFFFAOYSA-N 318.424 -0.255 50 20 DBGD CS[C@@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@@H]1N(C)C 828551256 ZKGFYCWTWIUPQA-WDEREUQCSA-N 302.444 -0.233 50 20 DBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C12CCC2 838770660 YEXRBFKTLZQATL-QWRGUYRKSA-N 324.381 -0.103 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C 843641267 FWRGVQOBUJSLNR-UWVGGRQHSA-N 308.338 -0.417 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN(C)[C@H]1CCSC1 843660344 KAVCWODVGHCQKW-GARJFASQSA-N 301.412 -0.004 50 20 DBGD Cn1nnc2c1CC[C@@H](NC(=O)NNc1ncncc1F)C2 848670172 NUCAGAAFARDAPI-SSDOTTSWSA-N 306.305 -0.072 50 20 DBGD C[C@H]1CN(C)C(=O)CN1C(=O)NNC(=O)c1cccc(F)n1 852710616 TTZIMPMJWVZQEP-QMMMGPOBSA-N 309.301 -0.262 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 854214255 HTFWEZMNBBTYAW-SNVBAGLBSA-N 305.400 -0.104 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCCS1(=O)=O 854285930 SAWUDHITPIFYLZ-SECBINFHSA-N 323.440 -0.562 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 854922979 VPKXEZXNPVJNRD-NXEZZACHSA-N 323.378 -0.576 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)nn2c1 855007421 VSVHIROFTMHJIN-BDAKNGLRSA-N 304.310 -0.381 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1cccc(F)n1 856421691 DTHGPEQCDZLSKG-UHFFFAOYSA-N 316.314 -0.983 50 20 DBGD C[C@]1(CNC(=O)CN2CCNCC2=O)C[C@H]1Br 857007626 QJJXNYKRWBUGKJ-LDYMZIIASA-N 304.188 -0.292 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1ccncn1 857521898 SYVWCPZGPMTHMR-AWEZNQCLSA-N 303.322 -0.159 50 20 DBGD CC(C)[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)N1CCOCC1 858126759 IUXGNDUPULINMO-GFCCVEGCSA-N 324.385 -0.290 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(C)COc2ccccc2O1 858168697 ZPUZOIIFTNKOFD-OAHLLOKOSA-N 321.333 -0.112 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@@H]2C2CCOCC2)N1 858696772 NZCDCXBRAIFCOG-NWDGAFQWSA-N 324.381 -0.103 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H](C3CCOCC3)C2)N1 858697648 UJUUNVLZRFMPIQ-NWDGAFQWSA-N 324.381 -0.246 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H](F)Cc1ccccc1 863464440 PDFSTMVRKRFHSA-JTQLQIEISA-N 302.327 -0.241 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)c1cn(C)c(=O)n1C 908274011 IRCNBWXLPXLYRL-UHFFFAOYSA-N 318.333 -0.264 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@H]2C(=O)NCC2(C)C)c1 931659364 WYHASKOLPMMEQY-ZDUSSCGKSA-N 318.377 -0.130 50 20 DBGD Cc1nccn1CCCC(=O)NNC(=O)CS(C)(=O)=O 1118895032 FDCLDIKKJNSLIE-UHFFFAOYSA-N 302.356 -0.836 50 20 DBGD Cc1c[nH]cc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1251232637 CWFZTBSXAINXEM-MRVPVSSYSA-N 300.340 -0.546 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccn(C)n1 1318665623 MGGDHIFABXSFQW-UHFFFAOYSA-N 317.371 -0.966 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccnc(C(=O)OC)c1 1319035046 WXFWCPQTHZMTRF-UHFFFAOYSA-N 310.310 -0.151 50 20 DBGD CCc1ccc(NC(=O)C(=O)NNC(=O)CO)c(C(=O)OC)c1 1321152828 YHGZUHFOQLAEKU-UHFFFAOYSA-N 323.305 -0.886 50 20 DBGD C[C@@]1(CCC(=O)NNC(=O)C(=O)N2CCCC2)CCC(=O)N1 1321201882 AICIZNACQIXEDZ-AWEZNQCLSA-N 310.354 -0.795 50 20 DBGD N[C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)NNC(=O)C3CC3)C2)C1 1326538686 DOLHEEPASPAQEP-MGPQQGTHSA-N 324.425 -0.238 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)C(=O)NCC(F)(F)F 1328783583 OOHMCKDOFODDEY-YFKPBYRVSA-N 322.247 -0.579 50 20 DBGD O=C(NCCN1CCSCC1)NNC(=O)c1cccnn1 1333597040 ZXJYGWVONRLTFP-UHFFFAOYSA-N 310.383 -0.531 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccn(CC(F)F)n1 1338005460 QPOHBHCADRTFBK-UHFFFAOYSA-N 305.241 -0.136 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCC(CO)CC2)n1 1338984656 RCMFTZFAANDJGF-UHFFFAOYSA-N 306.366 -0.145 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(C(=O)OC)CC1 1340784810 AFVPRJOTPJAPOX-SNVBAGLBSA-N 300.359 -0.294 50 20 DBGD CN1C[C@H](C(=O)NNc2nc(O)c3ccccc3n2)NCC1=O 1578520003 UZVAKLQHMRQTNM-SNVBAGLBSA-N 316.321 -0.791 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCN1)N(C)C(=O)OC(C)(C)C 1579395452 QCRKRBPEVSCKEC-DTWKUNHWSA-N 300.359 -0.249 50 20 DBGD O=C(NNC(=O)C1CCOCC1)c1cn([C@@H]2CCCNC2)nn1 1580735991 KODASUVUXIZCNN-LLVKDONJSA-N 322.369 -0.610 50 20 DBGD COc1nc(N(C)C)sc1C=NNC(=O)NCC(=O)O 1599730272 MVWMNUPWAJRLBT-UHFFFAOYSA-N 301.328 -0.065 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1601323860 HVFCWOMUNGYEPA-HTQZYQBOSA-N 324.293 -0.940 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CNCC[C@@H]1c1ccccc1 1601552957 PBTMQSOMXCQFIK-GHMZBOCLSA-N 306.322 -0.453 50 20 DBGD O=C(O)CCc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1602037681 DFPWILDXDDPRBH-UHFFFAOYSA-N 323.305 -0.828 50 20 DBGD Cn1nc(NC(=O)NNC(=O)[C@@H]2CCCCO2)cc1C(=O)O 1608151120 OVLPFBWETVXPHT-QMMMGPOBSA-N 311.298 -0.160 50 20 DBGD O=C(c1ccncn1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841351523 WXQNAVARHHNSJN-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)CN2CCOCC2)c1 136135437 LDKDVDHUDNXIDV-UHFFFAOYSA-N 306.366 -0.154 50 20 DBGD CCC[C@@](C)(O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 269324288 UTIWCMZPJIVBGP-CQSZACIVSA-N 318.337 -0.026 50 20 DBGD COC(=O)C1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 274294503 LUQHJUSVNDPXHJ-NSHDSACASA-N 320.301 -0.073 50 20 DBGD CN1CCC(=O)Nc2cc(C(=O)NNC(=O)C(C)(C)O)ccc21 276304939 UDQRQCLPTZOBGV-UHFFFAOYSA-N 320.349 -0.003 50 20 DBGD CCCCN1CCOC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584914083 PDXCIKYIUYCVMX-CQSZACIVSA-N 306.171 -0.194 50 20 DBGD O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584930437 JXBIJTQFMMDJCA-ZDUSSCGKSA-N 302.139 -0.750 50 20 DBGD COC[C@H](C)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584947568 UUUPWOCFIDXJLI-LBPRGKRZSA-N 306.171 -0.841 50 20 DBGD O=C1CN(C(=O)c2cccc(B(O)O)c2)[C@H]2CCCC[C@@H]2N1 584957362 GAEYNSXAQHVCHP-STQMWFEESA-N 302.139 -0.750 50 20 DBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CN1C1CC1 584957677 KMTIOVGSEPSHCT-GXSJLCMTSA-N 306.146 -0.140 50 20 DBGD C[C@H](CO)N1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584979924 KVFYSADKUCIJOE-LLVKDONJSA-N 324.161 -0.966 50 20 DBGD CC[C@@H]1CN(CCNC(=O)c2cc(B(O)O)ccc2F)CCO1 584981117 CGOFGGAHMVUANF-GFCCVEGCSA-N 324.161 -0.654 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 743317673 NSHMMBTWUHLHJG-UHFFFAOYSA-N 305.278 -0.586 50 20 DBGD NS(=O)(=O)c1ccc(O)c(C(=O)NNc2ncccn2)c1 747338915 PUUFPHLIDVJQMS-UHFFFAOYSA-N 309.307 -0.414 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)n(C)n1 751204252 YFELIYXQLXLDAY-UHFFFAOYSA-N 305.294 -0.487 50 20 DBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)C(C)C 763816485 HSQXAAXRJCYVFA-UHFFFAOYSA-N 324.341 -0.707 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)C(C)(C)C(N)=O)C[C@@H](C)O1 769848263 WUPSCKPKEWDFEK-NXEZZACHSA-N 314.386 -0.855 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 773658277 LVDXFIKWIVNQPV-UHFFFAOYSA-N 321.337 -0.530 50 20 DBGD CCCc1csc(NC(=O)C(=O)NNC(=O)COC)n1 789735239 VYDQIEJWBFTHCY-UHFFFAOYSA-N 300.340 -0.172 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1Cl 789740385 WAAPGENCOSNZPB-UHFFFAOYSA-N 301.686 -0.573 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1ncncc1F 817080459 PLHXGUMITRWTOV-UHFFFAOYSA-N 322.300 -0.077 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)NN(C)[C@H](C)CO)c1 823992788 BDNGKYLIBFLXEN-SECBINFHSA-N 301.368 -0.448 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825924746 FGTLETJKVUQFAZ-QWRGUYRKSA-N 302.375 -0.680 50 20 DBGD COC[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccccc1 844403231 WRBQNIPEPPUTIM-CHWSQXEVSA-N 307.350 -0.471 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1CCCS1(=O)=O 848367876 NOTXDDBVQAMEIR-NSHDSACASA-N 311.363 -0.177 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2cncn2)cc1 849212015 NITPPSFJIZGARY-UHFFFAOYSA-N 302.294 -0.627 50 20 DBGD CC(C)(C(=O)NNC(=O)c1cc[nH]n1)S(=O)(=O)C1CC1 855355702 FENGKXMAIVXLIN-UHFFFAOYSA-N 300.340 -0.474 50 20 DBGD CCOCCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 857189404 DRJPPMSGVAMXAQ-UHFFFAOYSA-N 324.385 -0.479 50 20 DBGD CCC[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OCC 858683950 YQPQFNNFYYZIDA-ZJUUUORDSA-N 300.359 -0.199 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863461556 MXFHKQDBBPLKOF-CYBMUJFWSA-N 314.363 -0.260 50 20 DBGD CCO[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 863897940 DZCTUZRSWBFVSP-ZDUSSCGKSA-N 320.349 -0.226 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCCN1C(C)=O 869909461 XAIWWOJWWJUDDR-NSHDSACASA-N 301.343 -0.802 50 20 DBGD CN(CCS(N)(=O)=O)S(=O)(=O)CC(C)(C)CCl 872628570 DQBWTDJSFJFCBN-UHFFFAOYSA-N 306.837 -0.199 50 20 DBGD C[C@@]1(C(=O)N2CCN(C(=O)CO)CC2)C[C@H]1Br 907147308 VAPSMTYYTQGYBX-LDYMZIIASA-N 305.172 -0.177 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC(=O)NC1 920425299 XRJJWNZWIQBOAL-SNVBAGLBSA-N 321.333 -0.252 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1COc2cc(OC)ccc2C1 1319678951 UCYFDHJWVCFQBE-SECBINFHSA-N 323.305 -0.498 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CCCCS2(=O)=O)nc1O 1324161540 KLKYXGVCFAYMFQ-ZETCQYMHSA-N 301.328 -0.704 50 20 DBGD C[C@@H]1CCCN(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1329980422 XGPLIQAOHYBJOV-MNOVXSKESA-N 311.386 -0.673 50 20 DBGD CO[C@]1(C(=O)NNC(=S)NC(C)C)CCS(=O)(=O)C1 1333084477 CJGJHYSCLKEOPA-SNVBAGLBSA-N 309.413 -0.906 50 20 DBGD C#CCCCC(=O)NNC(=O)c1cn(C)c2c(cnn2C)c1=O 1334025072 ROQMMKFFOQSSSS-UHFFFAOYSA-N 315.333 -0.164 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn2ccncc12 1341986284 DQJZWKXQUVADTQ-MRVPVSSYSA-N 305.294 -0.168 50 20 DBGD Cc1nn(C)cc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1347526204 GZYRMLFJQWXACM-JTQLQIEISA-N 300.384 -0.166 50 20 DBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cccnn1 1349788843 UWQUEIGSSAAQGD-CABZTGNLSA-N 304.354 -0.097 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)N1 1351354470 XXVVMJYZXYRZGP-OUAUKWLOSA-N 310.354 -0.636 50 20 DBGD C[C@@]1(C(=O)NNC(=O)COc2ccc(F)cc2)C[C@H](O)CN1 1576351331 YMBPXGZOIUBGMW-HZMBPMFUSA-N 311.313 -0.535 50 20 DBGD O=C(CC[C@@H]1CCNC1)NNC(=O)[C@H]1CCN1C1CCOCC1 1580528317 MQCYNHBLHZMOJG-TZMCWYRMSA-N 324.425 -0.223 50 20 DBGD CCNC(=O)CCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1590741333 QKHOAJACGLHMRB-UHFFFAOYSA-N 304.314 -0.379 50 20 DBGD O=C(N[C@H](C(=O)O)c1ccccn1)c1cc(B(O)O)ccc1F 1601401361 DMQUWJYRJNXESB-LBPRGKRZSA-N 318.069 -0.544 50 20 DBGD CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784086477 MINHKYROKIZFKP-YFKTTZPYSA-N 318.801 -0.024 50 20 DBGD COc1ccnc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 42871180 OICPFBZODJJKBP-ZETCQYMHSA-N 301.328 -0.702 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1ccc(Cl)nc1 275881300 AZUURQLAELRSBN-UHFFFAOYSA-N 307.763 -0.090 50 20 DBGD CC(C)C(=O)Nc1cc(C(=O)NNC(=O)CN(C)C)ccn1 295057991 KMMCDLWUIHJCAE-UHFFFAOYSA-N 307.354 -0.001 50 20 DBGD CC(C)(C)OC(=O)NNC(=S)NCCNS(C)(=O)=O 491114436 KMYXDYCZSGNYGX-UHFFFAOYSA-N 312.417 -0.561 50 20 DBGD C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(B(O)O)c1 584945965 MZOINDHKRXVVQU-UWVGGRQHSA-N 313.184 -0.740 50 20 DBGD C[C@H]1CN(CCNC(=O)c2cc(B(O)O)ccc2F)[C@@H](C)CO1 585006568 ODXXTAHPPACYEX-QWRGUYRKSA-N 324.161 -0.656 50 20 DBGD CCOC[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCO1 585009959 HQMWEUQWCUYHLH-NSHDSACASA-N 311.118 -0.617 50 20 DBGD C[C@H](NCc1ccc(B(O)O)cc1F)C1(S(C)(=O)=O)CC1 585040885 RBYACDUIFLLCQP-VIFPVBQESA-N 315.175 -0.439 50 20 DBGD CCOc1ccccc1[C@@H](CC(=O)NCB(O)O)NC(C)=O 585060093 MOZOHBWMUODBAV-GFCCVEGCSA-N 308.143 -0.219 50 20 DBGD CCOc1ccc(C(=O)NCC(=O)N2CC[C@H](B(O)O)C2)cc1 585067648 ZBWDKCBIHPIBGX-LBPRGKRZSA-N 320.154 -0.110 50 20 DBGD COC(=O)[C@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CCO1 732200775 ORXBLZHERHQVDI-WDEREUQCSA-N 315.370 -0.558 50 20 DBGD CC(=NNC(=O)C(N)=O)[C@H]1CN(Cc2ccccc2)CCO1 735609104 NWPVPTWYXIEBBC-CYBMUJFWSA-N 304.350 -0.135 50 20 DBGD O=C(NNC(=O)C1(O)CCCCC1)N[C@@H]1CCS(=O)(=O)C1 754993736 KSACCAZNMBFOBJ-SECBINFHSA-N 319.383 -0.801 50 20 DBGD CS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)CO)cc1 756708919 UPSMAVHJFLGQIZ-UHFFFAOYSA-N 302.312 -0.797 50 20 DBGD CCc1nnc(C)cc1C(=O)NNC(=O)C(=O)N1CCCC1 759378472 GXKHBRDTWFMHTM-UHFFFAOYSA-N 305.338 -0.269 50 20 DBGD O=C(CC[C@@H]1CCOC1)NNC(=O)CNC(=O)c1cccnc1 764343529 VYICSABGSBXKBW-LLVKDONJSA-N 320.349 -0.225 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccn1 776318276 UBXCIODJGSKAQC-UHFFFAOYSA-N 320.330 -0.196 50 20 DBGD CN1CCN(CC(=O)NNc2cc(C#N)cc(Cl)n2)CC1=O 780978734 YEKKJYFKTPIJBD-UHFFFAOYSA-N 322.756 -0.176 50 20 DBGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)OC)c1 800594815 ICGYYVBSXSUFAW-UHFFFAOYSA-N 323.309 -0.445 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)N1CCOCC1 805556451 BIZJQRZMRQTTBR-SNVBAGLBSA-N 315.370 -0.414 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)C(C)(C)C(N)=O)c1 830306566 FSHYMRIYWMPIMC-UHFFFAOYSA-N 306.366 -0.048 50 20 DBGD C[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 839533677 XJUCDUOQOFDPCV-CABZTGNLSA-N 322.321 -0.189 50 20 DBGD COCCNCC(=O)NNc1ccccc1S(C)(=O)=O 843436797 IWJXNOYWRVVJDD-UHFFFAOYSA-N 301.368 -0.231 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nc(O)[nH]c2n1 843972563 USCMDLWUCQWYHH-NKWVEPMBSA-N 305.294 -0.151 50 20 DBGD CC(C)(C)c1nnc2n1CCN(CC(=O)NNC(=O)C1CC1)C2 852743164 AAPWPVYKNOXBKK-UHFFFAOYSA-N 320.397 -0.051 50 20 DBGD CCOC(=O)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 863872654 VZRBABLMFZUYDQ-UHFFFAOYSA-N 320.154 -0.329 50 20 DBGD CC(C)OC(=O)[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 863873240 BWTQDCSNBUNBRD-SECBINFHSA-N 311.118 -0.177 50 20 DBGD CN(C)C1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 863898974 YDIOOYAJCWLTCZ-UHFFFAOYSA-N 305.338 -0.947 50 20 DBGD COC(=O)C1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 865199552 SPSPPRPVNUKFRW-UHFFFAOYSA-N 305.139 -0.172 50 20 DBGD Cc1cnc2c(C(=O)NNC(=O)N3CCN(C)CC3)cnn2c1 897535736 OOOVAGNWUGIMAY-UHFFFAOYSA-N 317.353 -0.360 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cn1 1317958617 FRVXNHCGUDXNDL-JTQLQIEISA-N 312.351 -0.479 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C(C)=O)cc1 1325519291 GZJGLDWXLFZUPG-UHFFFAOYSA-N 322.321 -0.598 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCS(C)(=O)=O 1326857257 KRKRCOMUWFMPEL-UHFFFAOYSA-N 310.372 -0.642 50 20 DBGD NC(=O)[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1 1327898000 QCAQQOOJNKCBEI-SFYZADRCSA-N 309.301 -0.181 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(N2CCC2=O)c1 1339536029 LOZQLZPKXYJVPT-UHFFFAOYSA-N 316.317 -0.081 50 20 DBGD NC(=O)C1(NS(=O)(=O)CBr)CCOCC1 1350011818 VGKPBSVDCDHIMJ-UHFFFAOYSA-N 301.162 -0.707 50 20 DBGD COCCn1cc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cn1 1549320286 YTLHCEBYMFMPSU-ZIAGYGMSSA-N 321.381 -0.157 50 20 DBGD O=C(NCCC[C@H]1CCCN1)NNC(=O)[C@H]1COCCO1 1580680212 JXXVHRDNGLERIQ-GHMZBOCLSA-N 300.359 -0.736 50 20 DBGD CN1CCC(CNC(=S)NNC(=O)NCC(=O)O)CC1 1598584439 USCGPKOCQNJZRP-UHFFFAOYSA-N 303.388 -0.909 50 20 DBGD O=C(NCc1ncn(-c2ccccc2)n1)NNC(=O)C(=O)O 1601551729 AMTCNRMMPOYCMR-UHFFFAOYSA-N 304.266 -0.818 50 20 DBGD O=C(NNC(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1cn[nH]c1 1606853997 MWUUISJLGYYQQM-UHFFFAOYSA-N 316.256 -0.196 50 20 DBGD N=C(N)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl 1796805982 ILJRPZQUDXWVLN-ODHVRURNSA-N 319.768 -0.358 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CN1CCOCC1 272271638 BJAIVVOWGVXIKV-UHFFFAOYSA-N 307.350 -0.283 50 20 DBGD COC(=O)C[C@H](NS(=O)(=O)CBr)C(=O)OC 272791089 CKCJRPLCTJPSQZ-YFKPBYRVSA-N 318.145 -0.637 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)CC(=O)N1 296401284 ZPMQMMZWTOHISF-VIFPVBQESA-N 324.768 -0.079 50 20 DBGD COc1ccnc(NNC(=O)CCC(=O)N2CCOCC2)n1 298264921 AIHSXOVGSDNTLX-UHFFFAOYSA-N 309.326 -0.433 50 20 DBGD Cc1cc(C)n(CCCNC(=O)c2cccc(B(O)O)c2)n1 584923617 ANZYUHLPBWFHFB-UHFFFAOYSA-N 301.155 0.000 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN(C(=O)C2CC2)CC1 584943266 KHDGMEKDAKHXLE-UHFFFAOYSA-N 320.129 -0.800 50 20 DBGD CC(=O)N1CCC(CCNC(=O)c2cccc(B(O)O)c2)CC1 584957652 KHIUNHHOWHMKDY-UHFFFAOYSA-N 318.182 -0.255 50 20 DBGD CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584957886 JDMVURJZBOQNMR-IINYFYTJSA-N 308.162 -0.036 50 20 DBGD CC[C@](NC(=O)c1ccc(B(O)O)c(F)c1)(C(N)=O)C(C)C 584974689 XIQYXZXKKQFUSX-CQSZACIVSA-N 310.134 -0.475 50 20 DBGD O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1cc(B(O)O)ccc1F 584997315 AOMMVMXRJBNUQM-MFKMUULPSA-N 320.129 -0.611 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@](O)(C2CC2)C1 585007783 OCVIZOITPGYGKJ-OAHLLOKOSA-N 307.130 -0.117 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](O)[C@]12CCSC2 585007947 DGAGVWNIGARUOF-GXTWGEPZSA-N 307.180 -0.551 50 20 DBGD COCCCN1CCC(NCc2ccc(B(O)O)cc2)CC1 585020646 FEWGNSCXSXAQLI-UHFFFAOYSA-N 306.215 -0.043 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCC(N)=O 727067052 DNJJHUUWZKTSRR-SSDOTTSWSA-N 314.342 -0.426 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 728436009 CAZSBPJSTUGBRF-QMMMGPOBSA-N 314.323 -0.017 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(Cc2cnn(C)c2)CC1 732201685 KLIKCKANPJRGNT-LBPRGKRZSA-N 322.413 -0.516 50 20 DBGD O=C(NCCN1CCCS1(=O)=O)NNc1cccnn1 736380480 PGYMHYSKACZBCV-UHFFFAOYSA-N 300.344 -0.862 50 20 DBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)nn1 737531352 VUAVZOUCWDVATJ-UHFFFAOYSA-N 319.277 -0.731 50 20 DBGD CN1CCC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1=O 748662650 AZXMSTUGDFHLKX-LLVKDONJSA-N 305.338 -0.425 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N(C)C 750599756 IFYUNPCCEBHENS-VIFPVBQESA-N 313.379 -0.199 50 20 DBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C 753551193 NXSMIOYNYAKHJT-UWVGGRQHSA-N 312.370 -0.247 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1nn(C)cc1C#N 756869918 FSJXRYWBPLGDEQ-MRVPVSSYSA-N 310.314 -0.504 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)C(C)(C)C)O1 774714466 BVBKXBSUYHJORQ-VHSXEESVSA-N 314.386 -0.001 50 20 DBGD O=C(NN=c1cc[nH]cc1)C1=CC=CN2CCS(=O)(=O)N=C12 780760966 HYFKGOCFAHLEFV-UHFFFAOYSA-N 319.346 -0.556 50 20 DBGD Cc1nccn1CCCC(=O)NNC(=O)N1CCN(C)CC1 807379163 SCFAGJZQDGBFMY-UHFFFAOYSA-N 308.386 -0.040 50 20 DBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 814547687 FPRVAVYFHKKPLO-NSHDSACASA-N 303.274 -0.591 50 20 DBGD COC[C@](C)(CC(=O)O)NCC(=O)NNC(=O)c1ccccc1 833721475 COFZFHSEZNEFBU-HNNXBMFYSA-N 323.349 -0.083 50 20 DBGD CCC(N)(CC)CNC(=O)NNC(=O)[C@H](C)OCCOC 841952167 PEIOIQLFBMHESE-JTQLQIEISA-N 304.391 -0.114 50 20 DBGD COCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccc1=O 843648185 WITMAEPUNYTBPN-PWSUYJOCSA-N 323.349 -0.319 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cncc(OC)n1 854284820 ZUEDJFSECIDHDQ-UHFFFAOYSA-N 313.383 -0.027 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1ncc(Cl)cn1 857355968 QKDWABMFIRDETB-UHFFFAOYSA-N 305.747 -0.391 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H](O)c2cccc(F)c2)N1 858696110 IMRAHBTXIUTTRH-QWRGUYRKSA-N 324.312 -0.532 50 20 DBGD COc1cccc([C@H](C)C(=O)NNC(=O)CS(C)(=O)=O)c1 863460465 YMDWCDHTXQDORQ-VIFPVBQESA-N 314.363 -0.009 50 20 DBGD CO[C@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccc(F)cc1 863467121 NYUIWGABMRIPKB-NSHDSACASA-N 318.326 -0.295 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)C[C@@H]2CO)cc1 879002141 DAVXJIUMOGUDPW-CQSZACIVSA-N 320.393 -0.636 50 20 DBGD COCc1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1261999459 RITGAMNYMMEUEF-SSDOTTSWSA-N 312.351 -0.362 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 1322188230 VJINFQKXSAOOTE-UHFFFAOYSA-N 306.322 -0.136 50 20 DBGD CC(C)NC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 1332481401 KSHYUIJWNNOTFV-UHFFFAOYSA-N 314.367 -0.296 50 20 DBGD CC(C)OC(=O)C(C)(C)NC(=O)c1cc(B(O)O)ccc1F 1334847197 ZPYZHTFHKXOHTL-UHFFFAOYSA-N 311.118 -0.035 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CCNC2=O)CC1 1348898622 GBGQHUOOPVSZFY-WDEREUQCSA-N 324.381 -0.246 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1590766923 BWAGIDFLTINHQL-UHFFFAOYSA-N 319.281 -0.418 50 20 DBGD Cn1c(C(=O)NNC(=O)[C@H]2CCCO2)ccc1-c1nn[nH]n1 1592550265 YYBQWVXGTUHKRA-SECBINFHSA-N 305.298 -0.855 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1nc(-c2ccco2)cs1 1601636281 YJODHBKDUIMCNI-UHFFFAOYSA-N 324.274 -0.426 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)N1 1602637742 FVPJILYWWQXZHY-VFCFLDTKSA-N 324.337 -0.905 50 20 DBGD CC(C)C[C@@H](C(N)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1603258326 MGLGUPRTUPTPET-VIFPVBQESA-N 318.341 -0.148 50 20 DBGD O=C(C[C@@H]1COC(=O)C1)NNc1ccc(-c2nn[nH]n2)cn1 1606507215 KCHCJXICIYEUAK-ZETCQYMHSA-N 303.282 -0.342 50 20 DBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)c1ccnnc1 1606601913 QPIWPPTYWKHRBQ-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD Cc1ccc(NNC(=O)NCCC(=O)NCCC(=O)O)nc1 1607810004 MHYYDASNLQAIMV-UHFFFAOYSA-N 309.326 -0.003 50 20 DBGD NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NNC(=O)C(=O)O 1610636668 LMPFCVWIYKXTDO-QMMMGPOBSA-N 319.239 -0.193 50 20 DBGD CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843349852 CHCFWEPFAMIDIW-ZJUUUORDSA-N 302.806 -0.507 50 20 DBGD C[C@@H](CN)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558138 IPAMBCHHZOLMKL-NAKRPEOUSA-N 303.790 -0.617 50 20 DBGD CN(CCCO)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 115549445 HFKQHUFAFOKVFY-UHFFFAOYSA-N 312.414 -0.678 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)COc2ccccc2O)CC1=O 264451541 CVXGCYPBSOKWPT-SECBINFHSA-N 307.306 -0.603 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cn1 265366987 YKYXNOSBRREZJJ-NOZJJQNGSA-N 323.378 -0.365 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)Cc1ccccc1F 267612571 OXNMGJLKZDAFMK-UHFFFAOYSA-N 303.315 -0.935 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCS1 268684762 MFUJXAZZKGKXCM-JTQLQIEISA-N 308.363 -0.146 50 20 DBGD N#Cc1ccc(NNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 269577345 GQTCHQZKQMTJJQ-UHFFFAOYSA-N 323.378 -0.083 50 20 DBGD Cc1c(NNC(=O)C[C@@H]2NC(=O)NC2=O)cccc1[N+](=O)[O-] 271101192 XRDOICHPZPHDEL-QMMMGPOBSA-N 307.266 -0.056 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccccc2)O1 281511898 GTVOFGSCHYEJEB-QWRGUYRKSA-N 306.322 -0.450 50 20 DBGD CCN1CCO[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 366528395 XPESCLKBQRWHQL-RYUDHWBXSA-N 319.427 -0.801 50 20 DBGD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)CCCCCl)C1 400121280 LTDBLFUTURVUJM-VIFPVBQESA-N 318.848 -0.041 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)N1CCOCC1 490852345 OWSCLCYVWCWFJE-VIFPVBQESA-N 316.358 -0.027 50 20 DBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@]1=O 584956845 BULJVIAFLZRVAY-OAQYLSRUSA-N 313.159 -0.511 50 20 DBGD C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584973530 OCFLKLFTCWLDGI-FHZGZLOMSA-N 301.148 -0.656 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](N2CCCC2=O)C1 584981464 WYDZPGGIOGMHIB-NSHDSACASA-N 320.129 -0.658 50 20 DBGD CC(C)[C@H](NCc1ccc(B(O)O)cc1)C(=O)N1CCOCC1 585026879 SYZGYKKTFBXWIC-HNNXBMFYSA-N 320.198 -0.661 50 20 DBGD C[C@@H]1Cc2cc(S(=O)(=O)NCB(O)O)cc(Cl)c2O1 585056447 WCZMKNGRCSHIAP-ZCFIWIBFSA-N 305.548 -0.046 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)O)CC1 736401719 LDMOCJCCIRHCTG-JTQLQIEISA-N 300.359 -0.136 50 20 DBGD CCOCC(=O)NNC(=O)Nc1nc(CC(=O)O)cs1 737163097 XUKDQWMSCROIBX-UHFFFAOYSA-N 302.312 -0.041 50 20 DBGD COc1ccc(NNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 746887694 WTXVVMSGPKPPGY-UHFFFAOYSA-N 304.306 -0.151 50 20 DBGD CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CO 764421892 RZTSYUCVZFWRSH-UHFFFAOYSA-N 320.305 -0.576 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(=O)N1CCC[C@@H](C)C1 805563708 ZWWPJCLUKVSWGZ-NXEZZACHSA-N 313.354 -0.266 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCn3cncc3C2)CC1 807381739 GWIDEMSIPMOLLE-LLVKDONJSA-N 306.370 -0.566 50 20 DBGD CCn1c(NNC(=O)[C@@H]2CC(=O)N2)nc2ccccc2c1=O 820691192 BLPMAVFBVVRXRD-JTQLQIEISA-N 301.306 -0.252 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1=O 823906248 WYYVSRCBDXZZTJ-SNVBAGLBSA-N 319.321 -0.898 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 823959662 NKSKHDVDUZEMQM-CJNGLKHVSA-N 307.394 -0.033 50 20 DBGD CCN1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 827273553 HYSPAFPFSGCQBQ-QWRGUYRKSA-N 312.370 -0.294 50 20 DBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 838777962 GBSPVXIQVRLVGL-WDEREUQCSA-N 324.293 -0.047 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](CN)C2(CCOCC2)C1 843388654 VTBUELJLEAVHLY-RYUDHWBXSA-N 312.414 -0.380 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 843652214 IPFWWSXXHNXQFN-ZJUUUORDSA-N 318.395 -0.226 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)c1cc[nH]n1 855355692 DYTXKWQJZZSUGT-UHFFFAOYSA-N 303.344 -0.980 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c1 857158075 MBUBTMUJKFBFPV-MNOVXSKESA-N 319.321 -0.688 50 20 DBGD CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)N1CCOCC1 858088501 HHGABEGLCQKHRI-UHFFFAOYSA-N 310.358 -0.536 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(C2CCCC2)CCNC1=O 858168205 PAPHEBRDWCFAHW-HNNXBMFYSA-N 324.381 -0.645 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc3ncnn3c2)N1 861165629 OVHHVLBANUMGLY-MRVPVSSYSA-N 303.282 -0.839 50 20 DBGD CCOc1ncccc1C(=O)NNC(=O)CS(C)(=O)=O 863459370 RQBBHFUGRAJZCS-UHFFFAOYSA-N 301.324 -0.714 50 20 DBGD CC(=O)N1CCN(CCNS(=O)(=O)CCCCl)CC1 881788561 AXOOVHGSYHLTDT-UHFFFAOYSA-N 311.835 -0.301 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cn2cccnc2n1 920433493 UIYIFFUBEMAINT-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD CCCNC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 921042432 URHSGOYBWADWCR-FSZOTQKASA-N 320.349 -0.466 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 1116711770 AZANRUOJZBTYPS-UHFFFAOYSA-N 323.309 -0.967 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)/C(C#N)=C\c1cnn(C)c1 1118784483 LWEQGPYZKSYWFS-VZAOXQLQSA-N 324.362 -0.745 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319404225 LHYGIYJOHOBDQP-VIFPVBQESA-N 312.351 -0.479 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ncnn1-c1ccccc1 1320943965 UMNQYQYKGFPRSU-UHFFFAOYSA-N 318.293 -0.729 50 20 DBGD COC(=O)N(C)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1321140184 GZOJJGNDIRSCAC-UHFFFAOYSA-N 308.294 -0.005 50 20 DBGD Cc1cc(OCC(=O)NNc2nc(O)c3cnn(C)c3n2)no1 1322738577 MMQUUMIAWRKQNX-UHFFFAOYSA-N 319.281 -0.113 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)C2CCNCC2)CC1=O 1326486449 DKIHOJQMZBWCQZ-JTQLQIEISA-N 311.386 -0.815 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1nnc(C)s1 1330954800 LSFQIWWQYGRTNG-UHFFFAOYSA-N 313.383 -0.159 50 20 DBGD O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc(F)n1 1330955329 BQIIPYTYMGXRHE-MRVPVSSYSA-N 315.326 -0.194 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1CCCS1(=O)=O 1348057821 IIBKDFINNHSWFO-LURJTMIESA-N 317.289 -0.154 50 20 DBGD CNC(=O)COc1cccc(CC(=O)N2CC[C@@H](B(O)O)C2)c1 1348490570 SRDLHGITNFPGAO-GFCCVEGCSA-N 320.154 -0.571 50 20 DBGD Cc1c(C(=O)NNC(=O)c2cnn[nH]2)cccc1-c1nn[nH]n1 1580543369 ABEOCALOORASGL-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CN(C)S(=O)(=O)CC(=O)NNc1ncccc1C(=O)O 1604075915 VBHFKNBARSZGLC-UHFFFAOYSA-N 302.312 -0.886 50 20 DBGD CN1CC[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1=O 1604848542 DVLIZFGJHDDRQH-JTQLQIEISA-N 301.310 -0.212 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(-c2nn[nH]n2)[nH]1 1606849227 GWOIOCSFAPITPT-MATHAZKKSA-N 317.309 -0.477 50 20 DBGD COC(=O)[C@@H](NNC(=O)C(=O)O)c1cc(OC)cc(OC)c1 1610157097 MOZXZDASEPIQNY-JTQLQIEISA-N 312.278 -0.377 50 20 DBGD CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884065 SBDDWLBLRFVFLY-SECBINFHSA-N 315.805 -0.310 50 20 DBGD CCOC(=O)NNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 23241813 JWIQVBDOHFNHTQ-UHFFFAOYSA-N 306.278 -0.533 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C#N)cc1 61633137 BJKPLRVTKSIDFS-MRVPVSSYSA-N 310.335 -0.743 50 20 DBGD CCNC(=O)NNC(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1 139160895 KQUNJFDQIJJIBL-UHFFFAOYSA-N 319.321 -0.326 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1ccc(C)o1 267838536 MRHPLLNXZAQZOK-UHFFFAOYSA-N 304.324 -0.590 50 20 DBGD COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)CN(C)C 274024373 BENUDRWEGNAKFO-UHFFFAOYSA-N 308.338 -0.349 50 20 DBGD COC(=O)N[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 495904614 JXWMQNRVNHJQOR-DTWKUNHWSA-N 307.372 -0.777 50 20 DBGD O=C(NC1CCN(CC2CC2)CC1)c1cccc(B(O)O)c1 584932671 WZIRDHXBJIKUHQ-UHFFFAOYSA-N 302.183 -0.029 50 20 DBGD CC(C)c1n[nH]c(CNC(=O)c2cc(B(O)O)ccc2F)n1 584994591 BGZXAKLRDHATAD-UHFFFAOYSA-N 306.106 -0.323 50 20 DBGD OB(O)c1ccccc1CNC[C@@H](O)COc1ccccc1 585017682 HUORUFRCRXVGOO-CQSZACIVSA-N 301.151 -0.104 50 20 DBGD COCC(=O)N1CCC(NCc2cccc(B(O)O)c2)CC1 585023728 LKMYLTVOGGORHS-UHFFFAOYSA-N 306.171 -0.907 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CN3CCCC[C@@H]3CO2)c(F)c1 585035646 WKBOPMGUJHPMNF-CABCVRRESA-N 322.189 -0.152 50 20 DBGD CN(C)C(=O)c1ccc(CNCc2ccccc2B(O)O)cn1 585036406 GQYYSJOIMHWZQW-UHFFFAOYSA-N 313.166 -0.247 50 20 DBGD CN(C)c1ncc(Br)cc1C(=O)NCB(O)O 585059831 CFYIOPAQRWEYJQ-UHFFFAOYSA-N 301.937 -0.348 50 20 DBGD O=C(Cn1nnc(-c2ccccc2)n1)N1CC[C@@H](B(O)O)C1 585070838 GRFKQTQZXPAAHC-LLVKDONJSA-N 301.115 -0.585 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCNC(N)=O)cc1C 726281300 KZDZZLBCNOSQCE-UHFFFAOYSA-N 321.337 -0.552 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)C(=O)N3CCCC3)ccc21 729351720 WNPFYDNGMVSUET-UHFFFAOYSA-N 316.321 -0.648 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCS(=O)(=O)CC1 732198920 AXYGUJVQBITUMC-SNVBAGLBSA-N 305.400 -0.701 50 20 DBGD O=C(CNC(=O)C1CC1)NNC(=O)COCc1ccccc1 737923406 MOEWFBRGIYTUKQ-UHFFFAOYSA-N 305.334 -0.123 50 20 DBGD Cc1noc(C)c1S(=O)(=O)NNC(=O)N1CCOCC1 745833700 DCWCNQBYNJRNLE-UHFFFAOYSA-N 304.328 -0.473 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1c1ncccn1 747349980 OGTNDWRMLQHJLS-JTQLQIEISA-N 320.353 -0.883 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCCO1 748626307 QWHFFMJKRDFGNV-MNOVXSKESA-N 303.359 -0.063 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 757733296 MPXFFNVRVAUKQD-VIFPVBQESA-N 312.351 -0.023 50 20 DBGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)CO)cn1 764429768 YDBOJJGXJYXNBG-UHFFFAOYSA-N 310.310 -0.805 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12 773495874 GJWXROXCLDZIEO-UHFFFAOYSA-N 303.322 -0.185 50 20 DBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN(C)C(N)=O)cc1 778414240 BABAEXLCJFLMON-VIFPVBQESA-N 314.367 -0.296 50 20 DBGD C[C@H](O)CN(CC(=O)NNC(=O)c1cccs1)[C@H](C)CO 785537488 PTUVBDJUKVPKJD-ZJUUUORDSA-N 315.395 -0.427 50 20 DBGD C=CCNC(=S)NNC(=O)c1cnc2c(c1)NC(=O)CO2 798305229 VRAMBRVZXLTCOV-UHFFFAOYSA-N 307.335 -0.293 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 825846128 SBFODGIONZAVRW-VIFPVBQESA-N 305.298 -0.798 50 20 DBGD CCS(=O)(=O)CCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826974409 NCHHEQPPEFUTPW-UWVGGRQHSA-N 321.399 -0.433 50 20 DBGD COc1cc(C)nc(NNC(=O)c2cn(CCCN)nn2)n1 830980871 LGCWCCDAOLKMPN-UHFFFAOYSA-N 306.330 -0.509 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)F)[C@@H]1CCCCO1 833241593 CONPQKHLSBXLAX-UWVGGRQHSA-N 321.324 -0.331 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCO1 852709334 SGVXRRSBCPCDKO-VIFPVBQESA-N 312.301 -0.078 50 20 DBGD C[C@@H](NC(=S)NNC(=O)C1(S(N)(=O)=O)CC1)C1CC1 855096786 DODVSKVRBMFGBN-ZCFIWIBFSA-N 306.413 -0.899 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NN=c1cc[nH]c(C)c1 862511536 SUPKWCLGSLSISZ-CYBMUJFWSA-N 319.365 -0.618 50 20 DBGD O=C1CC[C@H](C(=O)NN=C2CS(=O)(=O)Cc3ccccc32)N1 863151210 IKBLRDFSFCUVFW-LLVKDONJSA-N 321.358 -0.286 50 20 DBGD CCCCn1ncc(C(=O)NNC(=O)CS(C)(=O)=O)c1C 863464958 ZNYPYYYYUVCUQT-UHFFFAOYSA-N 316.383 -0.203 50 20 DBGD CO[C@H](Cc1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 863465356 CGJMDBYQLXWQJT-LLVKDONJSA-N 314.363 -0.564 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CNc1ccc(S(C)(=O)=O)cc1 910141009 OOHWSOHZPVNHBP-SNVBAGLBSA-N 315.395 -0.154 50 20 DBGD CCN(CC)C(=O)CCC(=O)NNC(=O)CN1CCCC1=O 913731672 RBUKQRCBNOFDMS-UHFFFAOYSA-N 312.370 -0.595 50 20 DBGD Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118866112 VFMWZKQQHXCCLJ-JTQLQIEISA-N 320.353 -0.594 50 20 DBGD C[C@H]1C[C@H](CCNC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1320078655 QLNSMKGHRXSORQ-VHSXEESVSA-N 312.370 -0.199 50 20 DBGD O=C(NNC(=O)c1snnc1C1CC1)C(=O)N1CCCC1 1324157692 BPFMNNYIVQYORA-UHFFFAOYSA-N 309.351 -0.201 50 20 DBGD Cn1cncc1CCC(=O)NNC(=O)CNC(=O)c1ccco1 1324985414 QYAHIVZGCHBSSQ-UHFFFAOYSA-N 319.321 -0.477 50 20 DBGD NC(=O)c1ccc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1329077523 GDTOWWIFXSXSAA-LLVKDONJSA-N 318.333 -0.856 50 20 DBGD CC(C)Cn1cnc(S(=O)(=O)NNC(=O)c2cn[nH]c2)c1 1329126487 HODSJVNATUOXML-UHFFFAOYSA-N 312.355 -0.115 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)C1CCOCC1 1330842060 STYNGCPDMSWIQC-UHFFFAOYSA-N 314.386 -0.983 50 20 DBGD Nc1cnnc(NNC(=O)[C@H]2CCCS2(=O)=O)c1Cl 1332888817 HTGVMGRVZPOTSM-ZCFIWIBFSA-N 305.747 -0.268 50 20 DBGD C[C@H](NCc1ccc(B(O)O)cc1)C(=O)NCC(F)(F)F 1352849000 HMAIMLMMNDZJFR-QMMMGPOBSA-N 304.077 -0.477 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(/C=C/C(=O)O)o2)nn1 1600932022 ITUFUUFYAMEEMU-HWKANZROSA-N 305.250 -0.419 50 20 DBGD C[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)n1cnc(C#N)n1 1603173983 XIRPITNDSWJPIO-ZETCQYMHSA-N 301.266 -0.053 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1606291251 CTIMFPZSOGIYQU-JTQLQIEISA-N 321.289 -0.810 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(C(=O)O)on1 1606871239 GBAWPHJOFGTUIV-UHFFFAOYSA-N 316.339 -0.140 50 20 DBGD CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796361914 YCNRWMRWAHKJBY-HPENLJRUSA-N 322.764 -0.119 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccccc2)O1 287108949 NKGIYPOCCNENBF-QWRGUYRKSA-N 306.322 -0.721 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 298376664 XGMAVCVTAJYDRM-SECBINFHSA-N 306.278 -0.166 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 497028001 VDRJHDMPUXSVDI-LBPRGKRZSA-N 321.333 -0.215 50 20 DBGD NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584940142 PTWYGWNDHAJDDL-NSHDSACASA-N 304.155 -0.516 50 20 DBGD CSCC[C@H](CO)NC(=O)c1cc(B(O)O)ccc1F 584963841 ZIGFSPSLTPUGCQ-SECBINFHSA-N 301.148 -0.651 50 20 DBGD C[C@H]1CN(CCO)[C@H](C)CN1C(=O)c1ccc(B(O)O)c(F)c1 585000053 IWMXGDLSPJSOSH-MNOVXSKESA-N 324.161 -0.967 50 20 DBGD CN1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 585001432 WFKHPGJQPFDSMD-SECBINFHSA-N 308.118 -0.896 50 20 DBGD Cn1cnc2cc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)ccc21 585057436 DTHWJJZXIPNSDN-SECBINFHSA-N 309.156 -0.189 50 20 DBGD COc1cc(C(=O)NNC(=O)C2CC2)ccc1OCC(N)=O 727942839 AHILBCYKHOFMKH-UHFFFAOYSA-N 307.306 -0.270 50 20 DBGD Cc1noc(CNC(=O)NNC(=O)COc2ccccc2O)n1 730910397 HIMJCROFCYSHKY-UHFFFAOYSA-N 321.293 -0.007 50 20 DBGD C[C@H]1CN(CCNC(=O)NNC(=O)c2cnn(C)c2)CCO1 735579622 IQARAKCYWMLHNR-JTQLQIEISA-N 310.358 -0.915 50 20 DBGD C[C@H]1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCN1C 741461131 FDBPFAZVBKUBHR-GXSJLCMTSA-N 302.400 -0.057 50 20 DBGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)NNC(=O)CO 755533544 AULYCYCRSLKLGP-UHFFFAOYSA-N 301.324 -0.456 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 764317743 PQMLMDSBTCTYHE-UHFFFAOYSA-N 323.305 -0.404 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1cc(C#N)cc(Cl)n1 768711356 NXZHQMHXEQYCHG-UHFFFAOYSA-N 317.758 -0.011 50 20 DBGD CNC(=O)C1(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)CC1 772089017 DZEBYVGGWMGRPV-VIFPVBQESA-N 313.354 -0.362 50 20 DBGD NC(=O)[C@@H]1CSCCN1S(=O)(=O)CBr 782479462 UQTMIFDDTQQJQU-YFKPBYRVSA-N 303.203 -0.429 50 20 DBGD CCOCCOC[C@@H](O)CNS(=O)(=O)CBr 790945413 OSNJULKFHQFSAB-QMMMGPOBSA-N 320.205 -0.328 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](S(C)(=O)=O)C1 800468693 NMFLYFZROYNTEW-SECBINFHSA-N 305.400 -0.701 50 20 DBGD O=C(NC[C@H]1COCCO1)NNc1ccc(-n2ccnc2)nn1 804970540 NXPPTXBKANVSMY-JTQLQIEISA-N 319.325 -0.296 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](CO)C1CCOCC1 827274690 QDWPJWOVLPDCQX-MVWJERBFSA-N 315.370 -0.471 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)Cc2ccncc2)n1 829566724 VNLSCBMVEZUZSC-UHFFFAOYSA-N 317.353 -0.244 50 20 DBGD C[C@@H]1[C@H](O)CCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 839617488 NROJBTZXOIBEMB-BXKDBHETSA-N 322.321 -0.189 50 20 DBGD CC(=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1cc(CO)on1 853390048 JQFGJAUWIDNDTR-MFKMUULPSA-N 308.338 -0.130 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C/c2ccc(C(N)=O)o2)CC1 854379279 VMHCXZURWUPFPA-HWKANZROSA-N 321.337 -0.620 50 20 DBGD CCOC(=O)C[C@@H](C)CNC(=O)c1cc(B(O)O)ccc1F 863877239 BPJJNAMGVLNVBG-SECBINFHSA-N 311.118 -0.175 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 887151934 OYRRCGWMMDGFCH-NSHDSACASA-N 315.395 -0.391 50 20 DBGD O=C(Cc1ccccc1CO)NNC(=O)CN1CCCC1=O 913732242 NRCMLHGWLYTIHX-UHFFFAOYSA-N 305.334 -0.509 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(C)c(S(N)(=O)=O)c1 920890012 SZLIRAQXRVETJP-UHFFFAOYSA-N 300.340 -0.394 50 20 DBGD O=C(NCCC1CCNCC1)NNC(=O)C(=O)N1CCCC1 1118251732 SSFZHVVKRXMSTE-UHFFFAOYSA-N 311.386 -0.671 50 20 DBGD Cc1c(Cl)c(C(=O)NNC(=O)C(=O)NC(C)C)nn1C 1118777105 XFJXQVYRLBACNB-UHFFFAOYSA-N 301.734 -0.332 50 20 DBGD CN(C)N(C(=O)/C=C\c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1248442151 FKTFGMSYOXMFON-QMAVJUDZSA-N 312.395 -0.074 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)ccc1=O 1320356565 BEFYIXOBBNCOBY-UHFFFAOYSA-N 306.322 -0.339 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)c1nccs1 1320436475 LKVRMDPRFIRRDT-ZETCQYMHSA-N 311.367 -0.144 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)on1 1324925113 QIBUDMZGTBDHRA-SSDOTTSWSA-N 315.307 -0.654 50 20 DBGD CN(C)N(C(=O)CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1326111916 MPXSUJBDDOWMHD-JTQLQIEISA-N 301.372 -0.840 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1csc(O)n1 1326798470 HWBVTCLHSWAETN-UHFFFAOYSA-N 310.291 -0.367 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc3n(c2=O)CCS3)cn1 1328653310 KGCZPBKSLDZDJI-UHFFFAOYSA-N 320.334 -0.843 50 20 DBGD CN(C)C(=O)CCCNC(=O)NNC(=O)C1CCOCC1 1330840478 JTSZYIIOPKITHZ-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)Cc1ccncc1 1339866096 PVBGVWQJNZBMGL-UHFFFAOYSA-N 320.349 -0.590 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1347932127 UKOPELGZMDAGAR-RDDDGLTNSA-N 320.187 -0.520 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1cccc(Cl)n1 1521738002 UUOSBEXTGMSUHC-ONGXEEELSA-N 323.784 -0.116 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@]2(CCNC2)O1 1576791656 RLZXVYCUHGUGFE-ZUZCIYMTSA-N 322.145 -0.902 50 20 DBGD C[C@@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCNC1=O 1590068791 QELWSWRTYJWLTJ-CYBMUJFWSA-N 301.310 -0.164 50 20 DBGD COc1nccnc1NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591669837 TWIWABIDDQBDNE-UHFFFAOYSA-N 301.270 -0.250 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)COCC(=O)O)c(C)c1 1605297142 WGTUKDAKQUNVPY-UHFFFAOYSA-N 309.322 -0.036 50 20 DBGD Nc1ccnc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 1606452108 BLKANSNZNAIMGY-UHFFFAOYSA-N 324.304 -0.081 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 1609316394 WTVPSQKOOSWMLK-UHFFFAOYSA-N 309.261 -0.195 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1ccc(C)o1 267799631 XWWKRFPBBFTLHH-UHFFFAOYSA-N 318.355 -0.529 50 20 DBGD NC(=O)c1ccc(NNC(=O)CNC(=O)C2CCCCC2)nn1 268243689 NLPBIELAJQKMPA-UHFFFAOYSA-N 320.353 -0.285 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2COCCO2)nc1C 272161769 HXTJVXXBSGREIH-SNVBAGLBSA-N 310.310 -0.180 50 20 DBGD COC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 274291371 MNSFHDDQNNQVIF-ZCFIWIBFSA-N 307.353 -0.198 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494972038 ORXTWOUCBTUOKK-UHFFFAOYSA-N 302.331 -0.815 50 20 DBGD CCOC(=O)NNS(=O)(=O)N1CCC(C(=O)OCC)CC1 496087391 YHYHSINAHUPBML-UHFFFAOYSA-N 323.371 -0.243 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(c2ncccn2)CC1 584925444 VUXSPRKLCGMXNO-UHFFFAOYSA-N 312.138 -0.881 50 20 DBGD C[C@@H]1CN(CCCNC(=O)c2cccc(B(O)O)c2)C[C@@H](C)O1 584928893 OIYJXMVWTGVTRT-CHWSQXEVSA-N 320.198 -0.405 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)c1nnc2n1CCC2 584933247 BRLSJCBFTIYAAA-VIFPVBQESA-N 300.127 -0.605 50 20 DBGD Cc1cc(C)n(C[C@H](C)NC(=O)c2cccc(B(O)O)c2)n1 584940180 QSSMLNFDFJIUOD-NSHDSACASA-N 301.155 -0.002 50 20 DBGD CCOCCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584944148 AZINOUMLPFKOEJ-UHFFFAOYSA-N 324.161 -0.700 50 20 DBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc(B(O)O)ccc1F 584957130 FWDCMSZFAYZYAY-MWLCHTKSSA-N 311.118 -0.571 50 20 DBGD CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cc(B(O)O)ccc1F 584973271 FMHAONDHQJDMDG-CYBMUJFWSA-N 322.145 -0.412 50 20 DBGD CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584981045 AMIRNYZJMJRDCN-HNNXBMFYSA-N 324.161 -0.966 50 20 DBGD C[C@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@]1=O 584984731 BJDKBISQUIAOGU-KRNBLGIKSA-N 313.159 -0.513 50 20 DBGD C[C@H](NCc1ccc(B(O)O)cc1F)C(=O)N1CCCCC1 585022037 RRYFHYPDFZHSHY-NSHDSACASA-N 308.162 -0.004 50 20 DBGD CC(C)[C@@]1(c2nc(-c3cccc(B(O)O)c3)no2)CNC(=O)C1 585052794 XOLPYWFHGXROQL-HNNXBMFYSA-N 315.138 -0.170 50 20 DBGD COc1ccc(CN2C[C@@H](C(=O)NCB(O)O)CC2=O)cc1 585062176 RGSNNDXCCXOALO-NSHDSACASA-N 306.127 -0.828 50 20 DBGD CN1C(=O)C(=CNNC(=O)Cc2cccnc2)C(=O)N(C)C1=O 728981887 JWIGEWWSVSIIBH-UHFFFAOYSA-N 317.305 -0.821 50 20 DBGD CN(C)N(C(=O)CCSCC(=O)O)[C@H]1CCS(=O)(=O)C1 737370687 QAQBTWPFMQYWFD-VIFPVBQESA-N 324.424 -0.313 50 20 DBGD CCNC(=O)NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 746167037 LRGDZDASPPMSEX-OAHLLOKOSA-N 306.366 -0.026 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 748635541 PFAGCKNTPZFFNO-IJLUTSLNSA-N 316.402 -0.149 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(C#N)c(Cl)c1 753302058 FFQSBJIHAUNVMX-UHFFFAOYSA-N 323.740 -0.093 50 20 DBGD O=C(CN(CCO)CCO)NNC(=O)c1cccc(Cl)c1 754246619 LCSKDTJPRYLADQ-UHFFFAOYSA-N 315.757 -0.612 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)CC2CC2)n1 756770834 OJYJJCRPJHKAJW-UHFFFAOYSA-N 309.330 -0.681 50 20 DBGD Cc1nnc(NNC(=O)C(C)(C)NC(=O)C(F)(F)F)nc1O 760793460 NGHDFLOVAYRQHN-UHFFFAOYSA-N 322.247 -0.214 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(=O)n(C)n1 772016859 HKWMWWVZCKCKDZ-VIFPVBQESA-N 324.337 -0.481 50 20 DBGD CN(C)CCOCCNC(=O)NNC(=O)CC(F)(F)F 788016112 CTXAOZDEIPBBGY-UHFFFAOYSA-N 300.281 -0.153 50 20 DBGD CC(C)Oc1cc(NC(=O)NNC(=O)CO)ccc1C(N)=O 788778454 ZIUFFCGWEDIZJX-UHFFFAOYSA-N 310.310 -0.282 50 20 DBGD C=CCNC(=S)NNC(=O)CS(=O)(=O)N(CC)CC 798304884 CXZCIMRPTGXQIM-UHFFFAOYSA-N 308.429 -0.661 50 20 DBGD COC(=O)COCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 806293944 GXUUBFDTJCDSLU-LLVKDONJSA-N 324.289 -0.837 50 20 DBGD CCOC1CC(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 806325384 FHWVLVFEKGZXKO-IDKOKCKLSA-N 304.368 -0.616 50 20 DBGD CC(C)CC(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816831311 OENUSXKWNYPCJH-UHFFFAOYSA-N 323.357 -0.903 50 20 DBGD CC(C)(C)OCCCNC(=O)NNC(=O)C(=O)NC1CC1 822022774 IXJWLOPKNFQOOL-UHFFFAOYSA-N 300.359 -0.199 50 20 DBGD CCN(CCO)NC(=O)c1cc(S(=O)(=O)NC)ccc1C 823841859 LRGLGFOCVRISHZ-UHFFFAOYSA-N 315.395 -0.138 50 20 DBGD CC(C)C[C@@H](NC(=O)O)C(=O)NNC(=O)[C@@H]1COCCO1 824211800 SZFBKBWCKPCGEN-BDAKNGLRSA-N 303.315 -0.769 50 20 DBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNc2nc[nH]n2)cc1 839770785 ZOMZUHMEHOFUMN-VIFPVBQESA-N 324.366 -0.077 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NN=C1CCN(S(C)(=O)=O)CC1 842551887 GDOLLXUQFYQXRI-KOLCDFICSA-N 303.384 -0.061 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Cn1cnc2ccccc21 847286231 JMLCNKMZBXMYCT-UWVGGRQHSA-N 315.333 -0.305 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)c1cccc(Cl)n1 857326673 ZJDUFNFBVFRENV-UHFFFAOYSA-N 305.743 -0.069 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO[C@@H]1C1CC1 858365373 MNAYXXLCZILGJK-IXPVHAAZSA-N 324.381 -0.199 50 20 DBGD CCN(CC)[C@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858697098 OVLAGFXAARTABN-QWRGUYRKSA-N 311.386 -0.578 50 20 DBGD Cc1cc(=NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc[nH]1 862511812 BSOGYJPJTJTPFX-LBPRGKRZSA-N 312.395 -0.626 50 20 DBGD Cn1c2c(ccc1=O)C(=NNC(=O)CS(C)(=O)=O)CCC2 863186313 WDBBQHQUDXZUTR-UHFFFAOYSA-N 311.363 -0.414 50 20 DBGD O=C(COC(=O)CNC(=O)C1CC1)NNC(=O)c1ccccc1 915018012 LHKPDQDYAJNXSK-UHFFFAOYSA-N 319.317 -0.483 50 20 DBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)CN1CCCC1=O 920826121 ILSDFEMBWIFDKE-UHFFFAOYSA-N 324.381 -0.547 50 20 DBGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CCO 1116623586 NUDULJWOCZYXEA-UHFFFAOYSA-N 323.280 -0.694 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 1116841151 CVXIEECZPDRQFH-UHFFFAOYSA-N 306.278 -0.469 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1118864757 IGGNHSUKMCXQNI-ZYUZMQFOSA-N 319.383 -0.683 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccc(C#N)cc1 1123631577 XKVKITJZCVKFAY-BXUZGUMPSA-N 313.361 -0.292 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O)n1 1256325563 YIJOHLBLJKGGOB-SECBINFHSA-N 314.367 -0.233 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 1261202789 BWNZEASRRIYOQP-UHFFFAOYSA-N 320.305 -0.241 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1nc(C)no1 1323526769 PTEZNQBLUBAWGO-YUMQZZPRSA-N 315.330 -0.179 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc2c(c1)COC2 1335366289 HIQLYHNARDPWDY-UHFFFAOYSA-N 312.347 -0.549 50 20 DBGD COCC(=O)NCCC(=O)NNc1cc(Cl)nc(N)n1 1337721298 LOGSIJQOHFSEHB-UHFFFAOYSA-N 302.722 -0.692 50 20 DBGD CC(C)[C@H](C(=O)O)C(=O)NNc1nc(O)c2cnn(C)c2n1 1588807954 GHPIRLOFBNVJAT-ZETCQYMHSA-N 308.298 -0.131 50 20 DBGD Cc1cc(C=NNC(=O)CS(C)(=O)=O)ccc1-c1nn[nH]n1 1591958343 BCRJKTSCAGUHKF-UHFFFAOYSA-N 322.350 -0.330 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCS1(=O)=O 1593162666 WIENSFGHMJFUAP-SNVBAGLBSA-N 322.350 -0.113 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC2(C(=O)O)CCC2)ccc1=O 1594530168 CBIIYMOGMHNJGA-UHFFFAOYSA-N 322.321 -0.416 50 20 DBGD COc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1599576967 PIYSCRCCLMZQKD-UHFFFAOYSA-N 315.669 -0.481 50 20 DBGD O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)[C@H]1COCCO1 1608286244 NIBRODWHKNDALD-XCRNYIDWSA-N 310.262 -0.446 50 20 DBGD O=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)=NN1 1843364460 LNIRKPHRSQUFCI-SECBINFHSA-N 316.720 -0.400 50 20 DBGD CN(C)CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 171350012 PZDQSIYQPWIDBI-UHFFFAOYSA-N 303.322 -0.744 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-n2ccnn2)cc1 186158921 KYNCQPYCIWHZOM-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 274105161 XXTPQKJDUDEQOT-UHFFFAOYSA-N 322.321 -0.879 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccoc1 285287935 ZUHACFHFDCNRHI-UHFFFAOYSA-N 303.340 -0.106 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494741729 GZUNEZRPQKIELR-UHFFFAOYSA-N 302.331 -0.863 50 20 DBGD CC(=O)N(C)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584935400 JHEQSJDZPFOUIR-UHFFFAOYSA-N 304.155 -0.551 50 20 DBGD CC(C)C(=O)N1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584962278 KYSIHFJHDAWUJH-ZDUSSCGKSA-N 304.155 -0.647 50 20 DBGD C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(B(O)O)cc1 584991153 AWFNFAATNVYKQL-IUODEOHRSA-N 318.182 -0.698 50 20 DBGD O=C(N[C@H](CO)[C@H]1CCCOC1)c1ccc(B(O)O)c(F)c1 585002371 SWUHNUFYODECAJ-GXFFZTMASA-N 311.118 -0.977 50 20 DBGD O=C1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CN1Cc1ccco1 585066464 OSQMOFOUEIXGSJ-GHMZBOCLSA-N 306.127 -0.297 50 20 DBGD CN1C(=O)c2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc2C1=O 585075093 PWQHRVQYBXBJHG-SECBINFHSA-N 302.095 -0.399 50 20 DBGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)O)cc1 738446183 DDLNFLRAMQZXMG-UHFFFAOYSA-N 304.353 -0.519 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCn1cncn1 740851591 MZUMHQOBRHBAOO-UHFFFAOYSA-N 310.358 -0.490 50 20 DBGD COc1cc(C)nc(NNC(=O)CCNS(C)(=O)=O)n1 746631103 TXWRTARPUYRLNH-UHFFFAOYSA-N 303.344 -0.824 50 20 DBGD COc1cc(F)cc(NNC(=O)C[C@H](NC(C)=O)C(N)=O)c1 748913087 RGFVCVOWSZYQAH-NSHDSACASA-N 312.301 -0.343 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=S)NC[C@H]1CCOC1 749724991 ZVJHZMPQTYWTGW-NXEZZACHSA-N 305.400 -0.430 50 20 DBGD CCC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)COC1 755056382 OGLAPCRCQASPSQ-UHFFFAOYSA-N 316.321 -0.150 50 20 DBGD CCN(CC(=O)NC)CC(=O)NNC(=O)c1cccc(C#N)c1 756485414 FDVWZPCICBHEDI-UHFFFAOYSA-N 317.349 -0.613 50 20 DBGD Cn1ccnc1-c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764421254 IEEAVLFTISLWIZ-UHFFFAOYSA-N 317.305 -0.835 50 20 DBGD C[C@H](O)CN1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)C1 800374189 KPYDKJQVRGVCPY-NEPJUHHUSA-N 314.430 -0.433 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1coc(C(N)=O)c1 807370006 SZCUEVUARLXIAP-UHFFFAOYSA-N 313.310 -0.071 50 20 DBGD O=C(Cn1ccc2ccccc21)NN=C1C(=O)NC(=O)NC1=O 814221935 RNEAVRNAIOENGF-UHFFFAOYSA-N 313.273 -0.521 50 20 DBGD C[S@@](=O)CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1 821941418 GJBPOIYZBXTMOJ-OAQYLSRUSA-N 309.355 -0.129 50 20 DBGD CC[C@H]1CN([C@H](CC)C(=O)NNC(=O)Cc2cc[nH]n2)CCO1 823152251 OQFWDILQJGDCET-QWHCGFSZSA-N 323.397 -0.011 50 20 DBGD COCCCNC(=O)NNC(=O)CCc1cc(OC)no1 823809838 CABIHHRFSRKYSR-UHFFFAOYSA-N 300.315 -0.017 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)NC(=O)OC 854283186 LGHUBEDFKBYGJG-QMMMGPOBSA-N 306.388 -0.395 50 20 DBGD CCC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 858401127 IRZICTNDXCQPLF-JTQLQIEISA-N 312.370 -0.198 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2cn[nH]c2)C[C@@H](C)O1 863854071 ITCBITLFNOHGOC-TXEJJXNPSA-N 323.397 -0.011 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccc(F)c(F)c1 885114025 QNZSPIYGSHHDRY-UHFFFAOYSA-N 308.310 -0.196 50 20 DBGD CN(CC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 917182337 BMOXXVYYJJXQGO-SECBINFHSA-N 305.400 -0.701 50 20 DBGD NC(=O)c1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1 920435018 AOFQOWNUZFIIGP-UHFFFAOYSA-N 304.306 -0.831 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116590410 TWYMMQOCKGVMRJ-UHFFFAOYSA-N 304.314 -0.695 50 20 DBGD O=C(NNC(=O)N1CCC[C@@H](C(=O)NC2CC2)C1)c1cn[nH]c1 1118810103 DEHDIYJBBNFJFU-SECBINFHSA-N 320.353 -0.245 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)s1 1318532436 VSRZKHQCDKRTCX-UHFFFAOYSA-N 318.380 -0.251 50 20 DBGD COC(=O)C(=O)NNC(=O)NC1CCN(c2cc(C)[nH]n2)CC1 1320897685 HSOIYYQPHYVZDI-UHFFFAOYSA-N 324.341 -0.810 50 20 DBGD Cn1cc(Cl)c(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1328798648 GBFABLIGDUEYFZ-SSDOTTSWSA-N 314.733 -0.818 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCS1(=O)=O 1329169069 NSNOKKWECGSLHN-YUMQZZPRSA-N 306.340 -0.947 50 20 DBGD O=C1COc2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc2N1 1330225000 DRYPOMAMYXJDQN-MRVPVSSYSA-N 318.289 -0.943 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CC1)C[C@@H](O)CCO2 1333526254 BVGSWZKGCHFKEV-AWEZNQCLSA-N 319.166 -0.488 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccnc(C)n1 1339006888 MCNAOKIORKXAPF-SNVBAGLBSA-N 311.367 -0.005 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc2nn[nH]c12 1343291354 BEURMDZQWUQOOU-SSDOTTSWSA-N 323.334 -0.846 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCC(=O)N1CCC[C@@H](C)C1 1351535591 FIIIRJCJZHSHPK-SECBINFHSA-N 314.342 -0.862 50 20 DBGD CC(C)CN1CCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 1357881223 VNMUXLRMFKDQRV-GFCCVEGCSA-N 310.398 -0.123 50 20 DBGD COc1nccnc1NNC(=O)c1cccc(-c2nn[nH]n2)n1 1609366339 NSFPHZBSPIJAIO-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1783876020 LLVDKZCHSDOMTC-GWCFXTLKSA-N 319.789 -0.971 50 20 DBGD NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843365950 TUKNHLAMZPYHEV-JTQLQIEISA-N 305.737 -0.010 50 20 DBGD O=C(NNC(=O)c1ccc(-n2cccn2)cc1)C(=O)NC1CC1 8393770 WCYAARJTUZDWHX-UHFFFAOYSA-N 313.317 -0.088 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(F)cc1 48911612 CGKLUUHJFDRTLO-UHFFFAOYSA-N 302.327 -0.050 50 20 DBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 272988182 WDTJNZKDTVGMEJ-NSHDSACASA-N 312.370 -0.693 50 20 DBGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)Cn1ncn(C)c1=O 288810938 UJONHVQVXLENHX-UHFFFAOYSA-N 306.282 -0.058 50 20 DBGD C[C@@H]1CO[C@@H](CO)CN1CC(=O)NNC(=O)c1ccccc1 318857741 BJVQMJRYWZIOIL-DGCLKSJQSA-N 307.350 -0.471 50 20 DBGD CCOC(=O)N1CCN(CC(=O)NNC(=O)C(C)C)CC1 496147243 OQWXMMYTVMLJSL-UHFFFAOYSA-N 300.359 -0.436 50 20 DBGD O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2cccc(B(O)O)c2)N1 584914162 QSHSMIWWVQZPLC-PSASIEDQSA-N 316.044 -0.628 50 20 DBGD CC(=O)NCc1cccc(CNCc2ccc(B(O)O)o2)c1 585027574 WFFYREMMDDSYLB-UHFFFAOYSA-N 302.139 -0.115 50 20 DBGD O=C1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CN1C1CC1 585050785 KPATYCUUBDYWAS-SNVBAGLBSA-N 313.122 -0.105 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNC(=O)c1ccccc1 733338713 JJXDOZWVJYWOTR-UHFFFAOYSA-N 305.294 -0.818 50 20 DBGD COC[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 745319901 UYNSKAMGYKCPFY-HNNXBMFYSA-N 324.333 -0.303 50 20 DBGD C[C@H]1CN(C)CC1=NNC(=O)C(=O)NN=C1CN(C)C[C@H]1C 752156022 VZVOVZBHSBYGAN-AOOOYVTPSA-N 308.386 -0.906 50 20 DBGD CCOCC(=O)NNC(=O)NCCCN1CCCO[C@H](C)C1 764571159 JTWUDCCHRYJNEO-GFCCVEGCSA-N 316.402 -0.146 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1ccc([N+](=O)[O-])n1 772024285 XBLDNUUCEFSUGB-ZETCQYMHSA-N 313.270 -0.720 50 20 DBGD CC1(NC(=S)NNC(=O)CNC(=O)c2cccnc2)CC1 789270108 OQWHHCVMRDNMJV-UHFFFAOYSA-N 307.379 -0.141 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ncn(C)c1Cl 842591883 GYXJAJUWZSAVCV-RQJHMYQMSA-N 322.774 -0.192 50 20 DBGD COc1cccc(NNC(=O)CN(C)S(=O)(=O)N(C)C)n1 845929919 YNMTWXNGDBYVGN-UHFFFAOYSA-N 317.371 -0.729 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC(n2cnnc2O)CC1 846886018 ROLJRKZIEZFBRU-UHFFFAOYSA-N 310.358 -0.576 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)COc1ccccc1C#N)C(=O)O 848588049 NRZQAGFFKZGNEC-VIFPVBQESA-N 320.305 -0.012 50 20 DBGD O=C(NCCN1CCOCC1)NNC(=O)c1cccc(F)n1 851937378 PDAZCZLHRRZMJG-UHFFFAOYSA-N 311.317 -0.503 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1ccnnc1)C(C)=O 854969193 YRMKUZFUSVJANR-SNVBAGLBSA-N 308.294 -0.604 50 20 DBGD O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@H]1CCS(=O)(=O)N1 855623490 GJSPZGIXXNOUFK-SECBINFHSA-N 318.286 -0.131 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1 858189086 ZXFZBZQDYDCZKQ-SECBINFHSA-N 319.321 -0.089 50 20 DBGD COCc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863459971 VECBFGFPHGBMKK-UHFFFAOYSA-N 300.336 -0.361 50 20 DBGD CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(B(O)O)ccc1F 863876655 JEBYRMFUXOFYAB-ZDUSSCGKSA-N 323.129 -0.033 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)CN1CCOC1=O 873799364 ZPARVWAAAPHZIQ-UHFFFAOYSA-N 311.269 -0.196 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 918584397 LDGPHWUSKCMVQF-UHFFFAOYSA-N 306.388 -0.905 50 20 DBGD N#Cc1cc(Cl)nc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 1118694474 GLDZXCSGLLONCR-KBVBSXBZSA-N 324.724 -0.537 50 20 DBGD O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CN1 1119606296 DIGOWHQZPKMYRP-CSMHCCOUSA-N 308.065 -0.624 50 20 DBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2ccc[nH]2)CC1 1256330813 BXNGDOKJWKLHIR-UHFFFAOYSA-N 300.340 -0.464 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnnc(O)c2)C[C@@H](C)O1 1261762522 WBWKVFOAUBGACW-NXEZZACHSA-N 323.353 -0.558 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)cc1 1320520681 WYPAOWLBZXHTKO-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ncccc2F)nn1 1322173161 YXTKJWVYKAKGHN-UHFFFAOYSA-N 307.289 -0.343 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cn(C2CCOCC2)nn1 1324588491 VEIHWUKNAYCHJN-UHFFFAOYSA-N 319.325 -0.264 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 1325503627 NDRPBIGZBMBPMW-UHFFFAOYSA-N 303.282 -0.842 50 20 DBGD COCCC[C@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1337365595 RTXIRGADMGOPGV-UWVGGRQHSA-N 321.399 -0.433 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2nc(C3CC3)nn2C)cn1 1346060081 ZLOKRTQUMKVUTD-UHFFFAOYSA-N 303.326 -0.570 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccccc1C(=O)O 1594782485 AUQMUCSZQNKDEF-SNVBAGLBSA-N 321.289 -0.350 50 20 DBGD O=C(NNC(=O)c1cncnc1)c1ccc(-c2nn[nH]n2)cc1 1606854513 VIBGVQRIPLSCDK-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD C[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1801951275 AZIQQMGKRBJJFY-HHKYUTTNSA-N 304.774 -0.395 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN(C)S(C)(=O)=O 67435177 INMZAERMWVOFMR-UHFFFAOYSA-N 315.351 -0.652 50 20 DBGD CO[C@H](C)CS(=O)(=O)NNC(=O)COc1ccccc1O 282329315 WPKBFBHLWKDBKT-SECBINFHSA-N 318.351 -0.244 50 20 DBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CCS(=O)CC1 584951294 NVZSRZVTAFYMNZ-UHFFFAOYSA-N 313.159 -0.511 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(B(O)O)cc1F 585030630 WKIKVKMSGYGLFM-OCCSQVGLSA-N 308.162 -0.100 50 20 DBGD O=C(NCCc1nc(-c2cccc(B(O)O)c2)no1)C1CCC1 585051342 CLTFECANAXUJGT-UHFFFAOYSA-N 315.138 -0.125 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H](C#N)C2)cc1 744398399 QMCZYSHZFQIUMF-CYBMUJFWSA-N 313.317 -0.456 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 746850117 VYKGTKAQCLRLDA-UHFFFAOYSA-N 314.367 -0.306 50 20 DBGD CN(C)C(=O)CCCNC(=O)NNC(=O)Cc1ccncc1 747502156 UCWOROPPFBKLTP-UHFFFAOYSA-N 307.354 -0.177 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)[C@@H](C)OCCOC 748623976 GOJBRKGJRYHQIO-SNVBAGLBSA-N 318.374 -0.763 50 20 DBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)N1CCOCC1)CC2 750723106 CNMBDSVNPUVGRV-JTQLQIEISA-N 308.342 -0.778 50 20 DBGD Cc1cc(C(=O)NNC(=O)Nc2ccc(C(N)=O)nc2)n[nH]1 757700886 WAORDCRMCKOQRR-UHFFFAOYSA-N 303.282 -0.321 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1N1CCCCC1 764421302 LKXTWBBATWXGDV-UHFFFAOYSA-N 320.349 -0.245 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)Cc1ccncc1 765780018 CYUFYPUMEYWINC-NEPJUHHUSA-N 319.365 -0.131 50 20 DBGD CCOC(=O)NNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 770038892 KFRSQOOIQUYMKM-UHFFFAOYSA-N 319.343 -0.290 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 771866818 FKOHGIWQCDNMOI-GFCCVEGCSA-N 316.317 -0.437 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(N)=O)c[nH]1 772166096 AFKHYJVSNWJAEI-QMMMGPOBSA-N 324.337 -0.148 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1C 778540950 YCRACBVBTKMMBZ-JTQLQIEISA-N 313.383 -0.061 50 20 DBGD CCNC(=O)N(C)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 780710805 XMFUSZUXGNELEP-UHFFFAOYSA-N 318.355 -0.164 50 20 DBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 800328624 QYSWARSLLOQWDG-SGIHWFKDSA-N 319.383 -0.683 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)cc1 823983593 XNUCRXNSMYQBKC-SECBINFHSA-N 301.368 -0.448 50 20 DBGD CC(=O)NCCN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 830148386 UEOCOEFPZBLCFZ-UHFFFAOYSA-N 317.349 -0.613 50 20 DBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C12CCC2 838763529 DDIXBPRGSDIPQI-UWVGGRQHSA-N 310.354 -0.447 50 20 DBGD CCCN1C[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC)CC1=O 840668476 SWYJKAHLFJNVLP-UWVGGRQHSA-N 313.354 -0.266 50 20 DBGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccnnc1)CS2 843908654 OEDUEDPQDDEKSP-RNCFNFMXSA-N 321.362 -0.308 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)N1 845472362 PYWPSIURFGBOCT-SECBINFHSA-N 313.335 -0.852 50 20 DBGD CCN1C[C@@H](CNC(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 845484981 CGDPLWFVJGCXBQ-MNOVXSKESA-N 312.370 -0.246 50 20 DBGD COc1ccc(NNC(=O)c2nc(N)nc(N(C)C)n2)nc1 846638321 JCFZUAGORIEWBG-UHFFFAOYSA-N 304.314 -0.320 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(F)ccc2[N+](=O)[O-])N1 862452259 DLEHRZKDCRKNCX-MRVPVSSYSA-N 310.241 -0.227 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c2c1CCCC2 862462180 VEWBANJEFGUWGK-VIFPVBQESA-N 305.338 -0.662 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)N1 863412570 JFMBBCSAPIYKRP-SDDRHHMPSA-N 323.374 -0.228 50 20 DBGD C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 863463718 ROELQXKVYRLFEA-CYBMUJFWSA-N 314.363 -0.828 50 20 DBGD CCCC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863878131 AHMPXZDLYCNROX-GFCCVEGCSA-N 311.118 -0.033 50 20 DBGD CC(C)[C@@H](C(=O)NN(C)C[C@H](C)O)N1CCCS1(=O)=O 910159682 AXBUQTJEUKPTDJ-QWRGUYRKSA-N 307.416 -0.610 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccnn1C(F)F 913733326 DWDGKBKNWFSPDQ-UHFFFAOYSA-N 301.253 -0.338 50 20 DBGD CCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 921038146 GUSPRMHNBVPONE-UHFFFAOYSA-N 317.371 -0.381 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)c2cc3c(s2)CCC3)n1 1116849713 FQOQTIIITKWOAX-UHFFFAOYSA-N 321.366 -0.096 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CS(C)(=O)=O)cc1 1116926409 LFRMXBBJWZEESI-UHFFFAOYSA-N 313.335 -0.874 50 20 DBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(C)=O)ccc21 1261253325 YRWVAWFPKGIUOK-UHFFFAOYSA-N 318.333 -0.507 50 20 DBGD Cc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)[nH]1 1319919242 YBJHATOHVCBBHS-VIFPVBQESA-N 314.367 -0.237 50 20 DBGD CC(C)(O)CCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1322214530 UMVYPMATMIWGQN-MRVPVSSYSA-N 307.372 -0.945 50 20 DBGD COC(=O)C(=O)NN=Cc1ccc(OC)cc1OCC(=O)O 1322285688 GTLLCCGAYSTERT-UHFFFAOYSA-N 310.262 -0.218 50 20 DBGD O=C(NN=C1CCS(=O)(=O)CC1)N[C@@H]1CCS(=O)(=O)C1 1324473039 BWTMGSKHWWQLMQ-SECBINFHSA-N 323.396 -0.963 50 20 DBGD CN(C)N(C(=O)c1cnc2cccnn12)[C@@H]1CCS(=O)(=O)C1 1326801370 VFZJGWZUDNCDOD-SNVBAGLBSA-N 323.378 -0.165 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCn2ccnc2C1 1333426697 WAHVRPLLIXGMQY-SNVBAGLBSA-N 305.338 -0.785 50 20 DBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)CO1 1574685883 GRSHTBFLNDGALD-KXUCPTDWSA-N 300.311 -0.417 50 20 DBGD C[C@@](N)(C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1 1576086712 YYCKTWDZDLBOPR-HNNXBMFYSA-N 304.350 -0.370 50 20 DBGD Cn1nnc(CNC(=O)NNc2ccc(C(=O)O)c(F)c2)n1 1601040840 RKLGYWSDJQOTPG-UHFFFAOYSA-N 309.261 -0.126 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1F 1601636211 WLMZAJFIUJNRFL-UHFFFAOYSA-N 303.633 -0.350 50 20 DBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)nc1O 1606124001 FKLVHIRRZOMCJR-UHFFFAOYSA-N 314.269 -0.782 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 1609266532 QJQBKLPWSPJTIT-UHFFFAOYSA-N 322.304 -0.280 50 20 DBGD Cn1c(C(=O)NNC(=O)[C@H]2CCCS2)ccc1-c1nn[nH]n1 1609475747 QQLPTEKAKXINKG-SECBINFHSA-N 321.366 -0.138 50 20 DBGD CN(C)CCNC(=S)NNC(=O)COc1ccccc1C#N 7643037 YYLRKVHJGAJTTK-UHFFFAOYSA-N 321.406 -0.006 50 20 DBGD O=C(Cc1ccc(-n2cnnn2)cc1)NNC(=O)NCC1CC1 65192252 HMYSBKUCXOOBLT-UHFFFAOYSA-N 315.337 -0.055 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1nc(C)cc(C)n1 298667588 LIORZNPUANRVBD-UHFFFAOYSA-N 316.387 -0.341 50 20 DBGD COc1ccnc(NNC(=O)CCN2CCCS2(=O)=O)n1 298955605 LMFOGIIPVJVQBT-UHFFFAOYSA-N 315.355 -0.646 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccncc1 365884079 HWUNHVUMMULXMA-SNVBAGLBSA-N 314.305 -0.381 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(OCC(N)=O)c(OC)c1 496275673 PKFBHUBOZSEROT-UHFFFAOYSA-N 311.294 -0.098 50 20 DBGD O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(B(O)O)cc1 584970960 WDZFLVDWTTVBJY-HIFRSBDPSA-N 305.139 -0.566 50 20 DBGD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(B(O)O)c(F)c1 584972368 UYVKDWRAPYNZIL-SECBINFHSA-N 320.129 -0.754 50 20 DBGD CCC[C@]1(C)C(=O)NCCN1C(=O)c1cccc(B(O)O)c1 584978567 ABWJVUFABDNTIN-OAHLLOKOSA-N 304.155 -0.503 50 20 DBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](O)C(F)F 584996185 ZVHRYVLJGWXYCT-ZJUUUORDSA-N 305.061 -0.360 50 20 DBGD C[C@@H](NCc1cccc(B(O)O)c1)C(=O)NCc1ccco1 585032876 PGTYBRNJNPHXKZ-LLVKDONJSA-N 302.139 -0.246 50 20 DBGD CNc1cc(C(=O)NNC(=O)C(=O)NC2CC2)cc(Cl)n1 731875245 XFJMXVNAQQEKLQ-UHFFFAOYSA-N 311.729 -0.184 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CCN1C(=O)CCC1=O)C1CC1 751621627 ZFUSODTXBVXWBE-MRVPVSSYSA-N 312.395 -0.181 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)CC1=O 755282794 QWHSJGFNZGIZGZ-SECBINFHSA-N 307.354 -0.253 50 20 DBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)O1 758031182 VGFBSHARUZCIAP-HLTSFMKQSA-N 307.372 -0.971 50 20 DBGD Cn1cnc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 758960645 OKEBJIYGTMACBJ-UHFFFAOYSA-N 307.335 -0.327 50 20 DBGD O=C(CN1CCN(c2cncc(F)c2)CC1)NNC(=O)C1CC1 761047433 XIVNQMHYNDVAQL-UHFFFAOYSA-N 321.356 -0.100 50 20 DBGD CN(C)CC(=O)NNC(=O)c1csc(S(C)(=O)=O)c1 767144378 IIFFMFDWLHLREH-UHFFFAOYSA-N 305.381 -0.526 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)C1(NC(N)=O)CC1 767334516 NFPLTIQGRZHQRX-UHFFFAOYSA-N 306.322 -0.414 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(O)cc([N+](=O)[O-])c1 771925748 AZWLZDCORDDUQL-UHFFFAOYSA-N 310.266 -0.414 50 20 DBGD COC(=O)c1ccccc1NNC(=O)Cn1ccc(O)nc1=O 777828862 ULLWSVHDKVIKRY-UHFFFAOYSA-N 318.289 -0.121 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cccc(CS(N)(=O)=O)c1 780710003 VTAPRTOJUUYOIE-UHFFFAOYSA-N 314.367 -0.219 50 20 DBGD O=C(NNc1nc2ccccn2n1)C1=NN(CCO)C(=O)CC1 791245621 YWZRYUSYRZLCRO-UHFFFAOYSA-N 317.309 -0.857 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)C[C@H](CC)OC 817352615 KNDYFZHPLDQTDP-JTQLQIEISA-N 323.415 -0.333 50 20 DBGD CS[C@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@H]1N(C)C 828551254 ZKGFYCWTWIUPQA-MNOVXSKESA-N 302.444 -0.233 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)Cc1ccncc1)C(C)=O 829562325 ZABKRRQWYMRVGN-GFCCVEGCSA-N 321.333 -0.070 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 833441935 KSHOTMBMVAENFF-JGVFFNPUSA-N 315.326 -0.231 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1 842590995 UYAWZNXNGXSKKA-LDYMZIIASA-N 315.351 -0.175 50 20 DBGD COc1ccc(NNC(=O)Cn2nc3n(c2=O)CCCC3)nc1 845991358 XRMGLSAVDNUHOE-UHFFFAOYSA-N 318.337 -0.072 50 20 DBGD CNC[C@@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1 851681305 NCQHZKQLAAXEFH-SNVBAGLBSA-N 305.338 -0.125 50 20 DBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)[C@H]1CCC(=O)N1 863203149 BLJWIUMAIFUTFJ-VHSXEESVSA-N 313.427 -0.755 50 20 DBGD CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 865090320 KHHNDDHQFCLHNF-OAHLLOKOSA-N 315.182 -0.328 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 887152107 WTILSYHCNUXQMF-LLVKDONJSA-N 317.349 -0.276 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2cn3c(n2)CCCC3)cn1 1116506201 HOVHHKXAQAXFCE-UHFFFAOYSA-N 324.366 -0.424 50 20 DBGD COc1ccc(C=NNC(=O)Cc2cc(O)nc(O)n2)cn1 1255343770 FAYHUSSZRLOCKA-UHFFFAOYSA-N 303.278 -0.016 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1cccc([N+](=O)[O-])c1 1320249207 ZFDJOBXCUVANKC-UHFFFAOYSA-N 310.266 -0.359 50 20 DBGD Cc1cc2c(cc1NC(=O)C(=O)NNC(=O)CCO)OCO2 1320358041 LXRXZDPTIKYYRI-UHFFFAOYSA-N 309.278 -0.808 50 20 DBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 1322680884 OIYMFQVCPQXDLV-UHFFFAOYSA-N 324.366 -0.057 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)c1ccc(O)cc1 1322859712 ZOGLXAMXIWWGCT-UHFFFAOYSA-N 305.290 -0.655 50 20 DBGD Cc1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n(C)n1 1323071124 YALFILXIVXGNLY-LBPRGKRZSA-N 315.399 -0.390 50 20 DBGD O=C1NC(=O)C2(CCC(C(=O)NN=c3cc[nH]cc3)CC2)N1 1323595199 IIUDQHGQOOSMDG-UHFFFAOYSA-N 303.322 -0.285 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1ccc(Cl)nc1 1346328863 HDDDBKGVRZVYQB-UHFFFAOYSA-N 310.697 -0.355 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)n1 1347532135 OKRDNVFRJAHPEY-YPMHNXCESA-N 303.366 -0.461 50 20 DBGD CC(C)[C@@H](N)C(=O)NCCC(=O)NNc1ccnc(N(C)C)n1 1575442687 VBBZJBFRFRENIF-GFCCVEGCSA-N 323.401 -0.525 50 20 DBGD CN(C)N(C(=O)[C@@H]1NCc2n[nH]cc21)[C@@H]1CCS(=O)(=O)C1 1578420166 AVOWQTSOOVMTHM-LDYMZIIASA-N 313.383 -0.954 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@]12CCNC2)[C@@H]1CCN1C1CCOCC1 1580732962 LBDIWSKIAHWAIN-XEZPLFJOSA-N 322.409 -0.613 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1590393347 CDLZKZANTWGQEY-LURJTMIESA-N 314.327 -0.185 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN(c2ccc(F)cc2)C1=O 1601552847 KHRCMDYWHGGJSX-VIFPVBQESA-N 324.268 -0.654 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)CN2CCC(=O)NC2=O)cc1 1602127382 OZNMOPDMUDDALO-UHFFFAOYSA-N 320.305 -0.301 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)C2CCOCC2)n1 1608799169 YBPFCYCEDWKNAF-UHFFFAOYSA-N 311.298 -0.453 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCSC1)[C@@H]1COc2ccccc2O1 270804773 OMVGSDGIDCOFNA-FZMZJTMJSA-N 324.358 -0.158 50 20 DBGD CC(C)[C@@H](C(=O)NNc1cnccn1)N1CCCS1(=O)=O 273406134 LQMCWGPOMJVQER-NSHDSACASA-N 313.383 -0.020 50 20 DBGD C[C@]1(C(N)=O)CCN(C(=O)NNC(=O)Cc2cccnc2)C1 279807938 FMLNHNYEZCJPBR-AWEZNQCLSA-N 305.338 -0.438 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2nccn3ccnc23)CC1 279808619 PWSOITAUIGHEMB-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(CCOC)C1 281190786 KDZONEOOPUAXMH-SECBINFHSA-N 300.384 -0.837 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 496244350 IIQHFEVBEMPQTK-CPCISQLKSA-N 321.289 -0.284 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 496762955 HZXXSRXCVJHJHW-RCOVLWMOSA-N 308.250 -0.147 50 20 DBGD O=C(NC[C@H](O)COCC1CC1)c1ccc(B(O)O)c(F)c1 584962756 QOTXXVHSIITIFT-NSHDSACASA-N 311.118 -0.977 50 20 DBGD Cc1nnc([C@H]2COCCN2C(=O)c2cccc(B(O)O)c2)o1 584983802 UFXUKKXAWLBCMV-GFCCVEGCSA-N 317.110 -0.728 50 20 DBGD CC(=O)NC[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584991645 FFFFUQCBIQILME-SNVBAGLBSA-N 308.118 -0.896 50 20 DBGD CO[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCOC1 585008205 LWAWMIYNAHVSSP-ZWNOBZJWSA-N 311.118 -0.713 50 20 DBGD CC(C)N1CCC(O)(CNCc2cccc(B(O)O)c2)CC1 585031122 RKLPKWRCBLKJSQ-UHFFFAOYSA-N 306.215 -0.309 50 20 DBGD C[C@@H](CCN1CCN(C)CC1)NCc1ccc(B(O)O)cc1F 585036345 HWOZSOPSUGVPLV-ZDUSSCGKSA-N 323.221 -0.379 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cn2)cn1 737602209 HWHKHGBWZNWXCX-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccco1 758024320 CAYZERXAOGNCJJ-JGVFFNPUSA-N 303.340 -0.532 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CC[C@@H](C)C1 758045047 BEJMISFAUGEWTP-UTLUCORTSA-N 305.400 -0.102 50 20 DBGD CSc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 764203764 CZQPBDSNVHUGFQ-UHFFFAOYSA-N 311.367 -0.549 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(O)CCOCC1 772088447 LNFPXUMDUNYNTN-SNVBAGLBSA-N 316.354 -0.347 50 20 DBGD CN1CCN(CC(=O)NNc2ncnc3ccsc23)CC1=O 780925032 AALNZTQZYIUTNK-UHFFFAOYSA-N 320.378 -0.092 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@@H]3C[C@]3(CO)C2)n1 782623063 YDGXYYCHSOXHNX-IINYFYTJSA-N 324.406 -0.544 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN1CCCNC1=O 807369676 FDEXYMYDFVNCOL-UHFFFAOYSA-N 316.358 -0.662 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](CO)[C@H](O)C2)c1 808752029 UVBOSMUSOQDDGR-UONOGXRCSA-N 321.377 -0.569 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNc2nccnc2Cl)n1 816926466 XOEVEGWCWJYHJF-UHFFFAOYSA-N 309.721 -0.280 50 20 DBGD CCN(CCO)NC(=O)Cc1ccccc1S(C)(=O)=O 823884614 BQXOBJOAZLYQFM-UHFFFAOYSA-N 300.380 -0.022 50 20 DBGD CC(=O)N1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[C@@H](C)C1 827286650 AWGKJUFEYMJAIR-JBLDHEPKSA-N 312.370 -0.295 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1CN 841952343 BOYBLRBYZMPJET-GRYCIOLGSA-N 316.402 -0.114 50 20 DBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843976567 QPWGQAXIJFCZKX-LPEHRKFASA-N 309.322 -0.030 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)NC(C)=O 849366538 ITBCUUPWGCIXSQ-SECBINFHSA-N 308.338 -0.221 50 20 DBGD O=C(NNC(=O)C1=NN2CCCN=C2N1)NC1CCCCC1 854191904 CNEJCNIUGIZXCW-UHFFFAOYSA-N 307.358 -0.372 50 20 DBGD CCOCCC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858313777 IWKGECRQNGLWGE-SNVBAGLBSA-N 312.370 -0.198 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCCO3)N1 860214487 IJOZNEQAVFBOIO-VIFPVBQESA-N 320.305 -0.111 50 20 DBGD CC(C)(C)c1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862463151 YXYDSUSEVUDCAK-SECBINFHSA-N 305.338 -0.186 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)c1cn[nH]c1 862473434 QRKVVGVPMZFSHK-SNVBAGLBSA-N 301.310 -0.370 50 20 DBGD CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccc(B(O)O)cc1 867098147 VMOQGYSFZUBBHG-UHFFFAOYSA-N 313.184 -0.738 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CN1CCNC(=O)C1)c1ccccc1 900655917 NHQVJHUFYZRZFT-CYBMUJFWSA-N 318.377 -0.241 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 902943258 PYCNZRWLCQAKOG-SNVBAGLBSA-N 305.400 -0.006 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNC(=O)C(=O)NC(C)C)CC1=O 914603934 BVNLOIYKGHGGTR-SNVBAGLBSA-N 312.370 -0.837 50 20 DBGD Cc1nnc(NNC(=O)CS(=O)(=O)CC(C)C)nc1O 1115852931 SPOKVRCWBBMNCN-UHFFFAOYSA-N 303.344 -0.600 50 20 DBGD Cc1ncccc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1118202892 HOSWFGVCWYVYGC-UWVGGRQHSA-N 306.322 -0.099 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1261497602 FHRGENLFLRJNSC-PSASIEDQSA-N 307.354 -0.193 50 20 DBGD O=C(CCO)NNC(=O)Nc1cnn(Cc2cccnc2)c1 1320274012 DJACWNBIHCMTCT-UHFFFAOYSA-N 304.310 -0.139 50 20 DBGD O=C(CCO)NNC(=O)Nc1cccc(Cn2cncn2)c1 1320401001 RBSWSBJASPWJQZ-UHFFFAOYSA-N 304.310 -0.139 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NN(C)C(=O)OC)cc1 1322069944 PPUYMAAWSUTPHP-UHFFFAOYSA-N 315.351 -0.133 50 20 DBGD O=C(NCCc1cn2c(n1)SCC2)NNC(=O)c1cn[nH]c1 1331533332 LBLHJSHILXNSBU-UHFFFAOYSA-N 321.366 -0.101 50 20 DBGD C=CCNC(=S)NNC(=O)c1cc(S(N)(=O)=O)c(C)o1 1339802335 JASIGAUZBDVHPO-UHFFFAOYSA-N 318.380 -0.470 50 20 DBGD COc1nccnc1NNC(=O)c1cn(CC2(C)COC2)nn1 1342606591 GJHFFIIDHFLRRE-UHFFFAOYSA-N 319.325 -0.130 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1347435009 MBSCPPUUKJBZOH-CQSZACIVSA-N 306.322 -0.017 50 20 DBGD CS(=O)(=O)SCCNC(=O)CCOCc1cnn[nH]1 1577112190 VUZNDNBTCLSCJD-UHFFFAOYSA-N 308.385 -0.480 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(-c2nn[nH]n2)cs1 1592910415 INTAWWYWUHBZOI-UHFFFAOYSA-N 318.322 -0.345 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1(C(=O)O)CCCCCC1 1594163396 BXKOISXXSJROKX-UHFFFAOYSA-N 320.367 -0.396 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)c(C)c1 1610042147 FZRAFKPYHZNVLI-UHFFFAOYSA-N 309.278 -0.436 50 20 DBGD O=C(C1CC1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1784899506 CCZQLJKVNHLOOY-FZMZJTMJSA-N 316.785 -0.174 50 20 DBGD Cn1nc(SCC(=O)NN=C2CCCC2)c(=O)n(C)c1=O 7757475 VYTGTSZGYFOTQG-UHFFFAOYSA-N 311.367 -0.383 50 20 DBGD COc1ccc(C)cc1CC(=O)NNC(=O)C(=O)NC1CC1 8402898 KTRTXVBRGCOJCM-UHFFFAOYSA-N 305.334 -0.028 50 20 DBGD CC1=C(C(=O)NNc2nc(C)cc(C)n2)Cn2nnnc2N1C 280660631 ALIKSLVEFFFZMV-UHFFFAOYSA-N 315.341 -0.053 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cn1 285254623 WZODTJDBUNDIHF-UHFFFAOYSA-N 316.339 -0.675 50 20 DBGD C[C@H](C(=O)NNC(=O)N(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 299393820 SFILICJMLNVTCI-BBBLOLIVSA-N 310.354 -0.148 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccccc1O 494125194 SXOPOUFYTCAELO-QMMMGPOBSA-N 311.294 -0.337 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=COCCO1 495434330 OHFFMOMNALFDBQ-UHFFFAOYSA-N 315.326 -0.063 50 20 DBGD COCCN(CCN(C)C)C(=O)c1ccc(B(O)O)c(F)c1 584942392 UQKLYAKCDYUOMK-UHFFFAOYSA-N 312.150 -0.844 50 20 DBGD CN1CCCC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 585010430 QPBSLJMXDCSVMG-NSHDSACASA-N 308.162 -0.033 50 20 DBGD C[C@@H](CNCc1ccc(B(O)O)cc1)CN1CCN(C)CC1 585022738 YCMGSEADUOTHIQ-AWEZNQCLSA-N 305.231 -0.661 50 20 DBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)N1Cc2ccccc2C1 585039595 UHWHXYLRMGRHMK-NSHDSACASA-N 314.150 -0.020 50 20 DBGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCB(O)O 585060135 NLWNQNNQARRDHC-MRVPVSSYSA-N 303.120 -0.636 50 20 DBGD CCN(CCNC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 726279832 LHBMCWCLMMDOLO-UHFFFAOYSA-N 311.386 -0.577 50 20 DBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)CC(F)(F)F 729614886 UAGPEGAYYIWGHQ-QMMMGPOBSA-N 312.292 -0.010 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN(CCOC)CC1 731284316 PFXBDPTZTQRQIQ-UHFFFAOYSA-N 302.375 -0.536 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746096242 QUXUIPHBMQBXDC-VPJKUYQRSA-N 323.349 -0.659 50 20 DBGD O=C(CN1CCC(O[C@@H]2CCOC2)CC1)NNC(=O)C1CC1 748833230 RKTVLKHMWGBMDL-CYBMUJFWSA-N 311.382 -0.186 50 20 DBGD CCn1c(S)nc2cc(C(=O)NNC(=O)CO)ccc2c1=O 753451523 FFOSGXCKEYCBQV-UHFFFAOYSA-N 322.346 -0.542 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 756646651 OSMUYGXNMMSAHJ-UHFFFAOYSA-N 321.297 -0.825 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O 757634603 VQVYLHUTJTXRQM-IUCAKERBSA-N 310.354 -0.100 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 768243192 AWXQMRVKGORDJJ-INIZCTEOSA-N 321.377 -0.458 50 20 DBGD CN(C)c1cc(C(=O)NN=Cc2cn(CC(=O)O)nn2)ccn1 768486292 ZZQJUCUAAIHODY-UHFFFAOYSA-N 317.309 -0.412 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccn1 772140395 AEKMEEIYPMIOMM-SECBINFHSA-N 322.321 -0.700 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1N 777792076 OQQIGJHPRFQAMY-UHFFFAOYSA-N 317.305 -0.152 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCCN(C=O)CC2)cc1 781559942 XCLCDCTWHCANHY-UHFFFAOYSA-N 318.377 -0.080 50 20 DBGD O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)N1CCOCC1 784641434 XYVJBXGQRRGMKD-UHFFFAOYSA-N 318.333 -0.203 50 20 DBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc[nH]1 816823719 DNICVCGXDDIPTN-UHFFFAOYSA-N 323.334 -0.560 50 20 DBGD CN(CCCC(=O)NNc1nc(O)c2cnn(C)c2n1)C(=O)O 828285795 UDHSOLOOEYFWLQ-UHFFFAOYSA-N 323.313 -0.098 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CNC(=O)O 830567781 UXHVWBLJSBKUBO-UHFFFAOYSA-N 323.305 -0.504 50 20 DBGD CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)CCl 830845227 KAWLFBYJFAWIBY-HTQZYQBOSA-N 304.821 -0.180 50 20 DBGD O=C1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)NC(=O)N1 831158707 ZMSNJAMSAJQKEX-BYPYZUCNSA-N 318.215 -0.463 50 20 DBGD O=C(Cc1cccc(C(=O)O)c1)NNC(=O)[C@@H]1COCCO1 833765838 QCWRXEGBDPQSOL-NSHDSACASA-N 308.290 -0.510 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 844147998 YXSWCMTTXKHXJD-SKDRFNHKSA-N 321.333 -0.306 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 847392704 BOJZNOICSJRDJX-UHFFFAOYSA-N 312.286 -0.448 50 20 DBGD C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cc[nH]n2)C1 849310356 BOQDKNFFVCGMSW-IUCAKERBSA-N 301.372 -0.133 50 20 DBGD O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)C1CC1 852009722 OSGYOIFPMSCWMF-CQSZACIVSA-N 324.425 -0.270 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1 858624760 KKNFCSAIWNQHFQ-SSDOTTSWSA-N 313.289 -0.427 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H]2[C@@H]2CCCOC2)N1 858702286 GQBYHQIPPHYTIJ-UTUOFQBUSA-N 324.381 -0.103 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)N1 862450703 ZNVRVTZZCFUQLB-MNOVXSKESA-N 317.301 -0.806 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(F)c1 862458196 ZQTXKIBWLZZIMG-LLVKDONJSA-N 308.313 -0.069 50 20 DBGD Cc1ncc(CO)c(C=NNC(=O)CS(C)(=O)=O)c1O 863188088 NAQAESOIXLLIDJ-UHFFFAOYSA-N 301.324 -0.917 50 20 DBGD O=S1(=O)CC2(CN(S(=O)(=O)CBr)C2)C1 882291629 AFIWQOFDMZGEFR-UHFFFAOYSA-N 304.187 -0.601 50 20 DBGD O=C(NNc1cncc(Cl)n1)N[C@@H]1CCS(=O)(=O)C1 915880207 AGMBAEMSMVTASP-ZCFIWIBFSA-N 305.747 -0.057 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 920832491 VOPVLPIJMTXQDV-UHFFFAOYSA-N 314.323 -0.470 50 20 DBGD CCc1ccc(C(=O)NNC=C2C(=O)NC(=S)NC2=O)cc1 920979109 VZYLOQZCTNURME-UHFFFAOYSA-N 318.358 -0.102 50 20 DBGD Cc1nn(C)c(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1118141281 XCUURWIKLGFVTO-NXEZZACHSA-N 323.353 -0.452 50 20 DBGD CNC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1251337262 FCUIQFUDCLPWQY-JTQLQIEISA-N 301.306 -0.129 50 20 DBGD COCCc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)OC 1320743741 RAQHPIQRHFCLQA-UHFFFAOYSA-N 323.305 -0.866 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cn(C)cn1 1322022586 LHBWPEBNBMJAGK-UHFFFAOYSA-N 317.371 -0.966 50 20 DBGD Cn1ccnc(NNC(=O)C2(S(C)(=O)=O)CCCC2)c1=O 1328563167 YBPYZAXZGVJZJV-UHFFFAOYSA-N 314.367 -0.419 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCC(=O)NCC#N 1328685524 WAHCULFDIJJCPS-UHFFFAOYSA-N 305.294 -0.721 50 20 DBGD NC(=O)CSCC(=O)NNc1ccc(-n2ccnc2)nn1 1341914615 LLILQHYFWOZORG-UHFFFAOYSA-N 307.339 -0.676 50 20 DBGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1346069850 VTTWOBPSPGSZEA-SCZZXKLOSA-N 324.337 -0.299 50 20 DBGD CO[C@]1(C(=O)NN[C@H](C)C(F)(F)F)CCS(=O)(=O)C1 1350817630 FCQHAZSJCYOCCD-HTRCEHHLSA-N 304.290 -0.238 50 20 DBGD O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 1351755934 GGPOUYJKFDSJBA-LBPRGKRZSA-N 316.166 -0.503 50 20 DBGD COc1cc(C#N)ccc1OCC(=O)NNC(=O)[C@@H]1CCN1 1579138869 CWCPHLUCSULBLC-JTQLQIEISA-N 304.306 -0.545 50 20 DBGD NCCc1nc(C(=O)NNC(=O)CN2CCCC2=O)cs1 1580316861 MYHCSOBOQDXQKJ-UHFFFAOYSA-N 311.367 -0.972 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)[C@H]1CCN1 1580735913 HPLUQIPFAHRTLU-CHWSQXEVSA-N 316.361 -0.200 50 20 DBGD CN1CCN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](C(=O)O)C1 1598614639 ASNMQIILPLIIOA-SNVBAGLBSA-N 314.386 -0.872 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ocnc1C(=O)O 1609881105 ZILJDXAPKJSARB-SFYZADRCSA-N 311.294 -0.122 50 20 DBGD O=C(NCCOc1ccc2c(c1)OCO2)NNC(=O)C(=O)O 1610695146 UPIHSSOZTSOGRF-UHFFFAOYSA-N 311.250 -0.791 50 20 DBGD Cn1nc(C(=O)O)cc1C=NNC(=O)c1ccc(=O)n(C)c1 1776103272 BFZJNXKSRBIBFT-UHFFFAOYSA-N 303.278 -0.419 50 20 DBGD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843362647 BRDRFYXTMTTWST-SECBINFHSA-N 316.724 -0.589 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)NCCN2CCOCC2)cc1 57774315 YMNWXCMDSXTVON-UHFFFAOYSA-N 317.349 -0.166 50 20 DBGD Cc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)CN(C)C)[nH]n1 174954937 BTSLYHMSOGHORJ-UHFFFAOYSA-N 319.369 -0.250 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)CNc2ccccc2OC)CC1 264361101 GKEGJOKZHDPKMD-UHFFFAOYSA-N 320.349 -0.219 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2nnc(C3CC3)s2)nn1 273554089 CKEOYNFCXDFAML-UHFFFAOYSA-N 323.338 -0.063 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1cnccn1 274772116 VDHQZYCTZJSVLQ-SECBINFHSA-N 301.372 -0.116 50 20 DBGD CC[S@@](=O)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 278807485 ZYBUGYGQJKQSMG-WIUDPPPLSA-N 312.347 -0.258 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C)n1 282191183 BKJQOZPVIWTZQX-NSHDSACASA-N 324.385 -0.270 50 20 DBGD Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=O)CN(C)C 290489040 OHYVNGQRBWVBKD-UHFFFAOYSA-N 307.276 -0.081 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNc1cccc(Cl)n1 292484332 QYFWTYOMRPBYDM-UHFFFAOYSA-N 307.763 -0.090 50 20 DBGD NC(=O)CCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 299358500 BKJSWVVEBYBBAN-NSHDSACASA-N 307.306 -0.371 50 20 DBGD COC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 495367550 QTQDHVIACQVTAN-JTQLQIEISA-N 305.294 -0.506 50 20 DBGD COCCCn1ccc(NC(=O)c2ccc(B(O)O)c(F)c2)n1 584952765 WWOGMBLWRITGOO-UHFFFAOYSA-N 321.117 -0.009 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](Cn2ccnn2)C1 584965934 VJUCTJBJDBNEMU-LBPRGKRZSA-N 314.154 -0.490 50 20 DBGD O=S(=O)(NCB(O)O)c1ccc(OCC(F)(F)F)nc1 585059776 ZEJPVHLNBAHGCQ-UHFFFAOYSA-N 314.050 -0.687 50 20 DBGD O=C(NCCN1C(=O)CCC1=O)NNC(=O)c1ccccc1O 733847947 IMRWSOHBEPYWLO-UHFFFAOYSA-N 320.305 -0.515 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(N)=O)cc1 740851932 BVOINXKADYISKG-UHFFFAOYSA-N 320.349 -0.149 50 20 DBGD CC(C)(O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744911437 ZDHQWSFFRAVLDS-UHFFFAOYSA-N 305.290 -0.367 50 20 DBGD C#CCOCCNC(=O)NNc1nc(O)c2cnn(C)c2n1 753379968 WJOMUHGMQWIQLT-UHFFFAOYSA-N 305.298 -0.655 50 20 DBGD C[C@H](C(=O)NNC(=O)CO)S(=O)(=O)c1ccc(F)cc1 753437985 APLNSQCJHCDPFC-SSDOTTSWSA-N 304.299 -0.872 50 20 DBGD CCn1nccc1C=NNC(=O)CSc1nnc(O)nc1O 753694972 KXLMVWXDNZUOPU-UHFFFAOYSA-N 323.338 -0.258 50 20 DBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 755890147 JCYBQHCWYIISRI-ZJUUUORDSA-N 314.411 -0.057 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(F)(F)F 758026559 RHOUIHBUGVWMBC-YFKPBYRVSA-N 305.278 -0.586 50 20 DBGD CC(C)N(CCS(C)(=O)=O)CC(=O)NNC(=O)C(C)(C)C 759235895 ZEXCCHCJSZGQDW-UHFFFAOYSA-N 321.443 -0.065 50 20 DBGD COCC(=O)NNC(=O)Nc1cccc(S(N)(=O)=O)c1 761853705 WDFGQRBAZAFAKC-UHFFFAOYSA-N 302.312 -0.867 50 20 DBGD COc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 764202706 AFHSNUQSKKWLRF-UHFFFAOYSA-N 308.338 -0.349 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccnc1OC(C)C 764302906 KOLSODQHOXMGLD-UHFFFAOYSA-N 310.310 -0.399 50 20 DBGD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NNC(=O)CO)c1 764429636 UGKCAFQQHYQBMC-UHFFFAOYSA-N 322.321 -0.578 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)COc2ccccc2O)C1=O 772902379 JPHCFCNREBXQHW-SECBINFHSA-N 307.306 -0.603 50 20 DBGD O=C(CNC1(CO)CCOCC1)NNC(=O)c1ccccc1 777579341 YJDAOUXQIDVXNH-UHFFFAOYSA-N 307.350 -0.421 50 20 DBGD Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@H]1COCCO1 779524213 ASNBFYCLCVPFMB-SECBINFHSA-N 310.266 -0.647 50 20 DBGD CC(C)(CCNC(=O)NNC(=O)C(=O)N1CCCC1)C(=O)O 818625288 XBYRFUWRPPKOMF-UHFFFAOYSA-N 314.342 -0.560 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)CC2CC2)s1 819104589 PEQPFTBGSFCYBW-UHFFFAOYSA-N 317.392 -0.115 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)NCc1ccco1 823794071 XDHQPBRTKLLVIF-MRVPVSSYSA-N 318.355 -0.562 50 20 DBGD CN(CCCNS(=O)(=O)CCl)S(=O)(=O)CCl 830813183 ZWSZISJIFVGGPI-UHFFFAOYSA-N 313.228 -0.050 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c1 856794204 UYJWWKGKDHDZTQ-RYUDHWBXSA-N 320.349 -0.234 50 20 DBGD O=C(NNC(=O)[C@]1(C2CCCC2)CCNC1=O)C(=O)NC1CC1 858167416 BLBVECPBZLDQDX-HNNXBMFYSA-N 322.365 -0.891 50 20 DBGD Cc1nc2cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc2o1 863466041 LKIGABDSRQHYEK-UHFFFAOYSA-N 311.319 -0.058 50 20 DBGD CC1CCC(NS(=O)(=O)CC(=O)NN(C)C[C@@H](C)O)CC1 910165663 MKQLONWQHOOVCW-MOENNCHZSA-N 321.443 -0.172 50 20 DBGD O=C(CN1CCCNC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 915259906 KTGAVFGVJPDVTO-UHFFFAOYSA-N 321.293 -0.229 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccc2c(c1)OCO2 918715913 LMRREZCKDPDQOR-UHFFFAOYSA-N 324.362 -0.388 50 20 DBGD CC(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 920402919 CIAMLJHRVHRXBQ-UHFFFAOYSA-N 300.359 -0.294 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(OCC(N)=O)c(OC)c1 921042264 JXWSISIGHGDFIP-UHFFFAOYSA-N 324.337 -0.087 50 20 DBGD Cc1nnc(O)c(CNC(=O)NNC(=O)c2cnn(C)c2)c1C 1116090185 JKUNQELMZAQMIT-UHFFFAOYSA-N 319.325 -0.323 50 20 DBGD C[C@H](NC(=O)NNc1nncc(N)c1Cl)C(=O)N(C)C 1116628302 KMMQFKZPNRVTQD-YFKPBYRVSA-N 301.738 -0.185 50 20 DBGD O=C1COc2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2N1 1317729631 ZFJQHFFJGWKHRZ-UHFFFAOYSA-N 318.289 -0.943 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccnc1-n1cccn1 1317777458 LRLGMIKOCXGHMP-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD CN(C)N(C(=O)CCN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 1318457961 AABYCGIHOULDAR-NSHDSACASA-N 317.411 -0.509 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNc1nccn(C)c1=O 1319053133 SMSCGLRTUYAKLS-UHFFFAOYSA-N 305.294 -0.445 50 20 DBGD C[C@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)S(C)(=O)=O 1319965072 ADAVBAMTTGTJNV-MRVPVSSYSA-N 320.392 -0.034 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1nc(C)no1 1323526768 PTEZNQBLUBAWGO-SFYZADRCSA-N 315.330 -0.179 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)CC[C@H]1NC(=O)NC1=O 1325219322 NRDWBSDDELSTFF-LLVKDONJSA-N 318.333 -0.245 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nnnn1C1CC1 1328131340 LPJUJLCDTIVUHX-VXNVDRBHSA-N 309.330 -0.737 50 20 DBGD O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CCS(=O)(=O)N1 1328679958 STIHSYMKXTVQOT-MRVPVSSYSA-N 324.322 -0.734 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)Cc2ccncc2)nn1 1347139198 TZLNGNXHBFGTMD-UHFFFAOYSA-N 303.326 -0.234 50 20 DBGD Cn1c(CC(=O)NNC(=O)[C@@H]2COCCN2)nc2ccccc21 1574209471 NVLHMUZLIBHTGH-NSHDSACASA-N 317.349 -0.748 50 20 DBGD Cn1cc(C(=O)NN=C2CCN(CCCC(=O)O)CC2)nn1 1600930397 AXMKWZNSLULEQJ-UHFFFAOYSA-N 308.342 -0.139 50 20 DBGD O=C(O)[C@@H](O)C1CCN(S(=O)(=O)CBr)CC1 1601683954 HMESIGPRQIEPSE-ZETCQYMHSA-N 316.173 -0.174 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)COCC(=O)O 1602903845 LSUCUIWRUOLANW-UHFFFAOYSA-N 319.314 -0.850 50 20 DBGD COc1ccc(CN2CC[C@@H](B(O)O)C2)cc1-c1nn[nH]n1 1605275184 UCFBRFGZODOOFU-SNVBAGLBSA-N 303.131 -0.076 50 20 DBGD CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 56376013 PEXQKIMAUKPHFU-UHFFFAOYSA-N 300.340 -0.489 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1 109830072 MEELAWVXIOPKHO-LLVKDONJSA-N 322.365 -0.017 50 20 DBGD O=C(CN1CCN(c2nccs2)CC1)NNC(=O)C1CC1 112976244 FGBRIBBIAYTNMQ-UHFFFAOYSA-N 309.395 -0.178 50 20 DBGD CN(CCN1CCOCC1)CC(=O)NNC(=O)c1ccccc1 114464395 GVWWWLVUHYISKN-UHFFFAOYSA-N 320.393 -0.288 50 20 DBGD CNC(=O)NNC(=O)CCc1c(C)nc2c(c1C)c(=O)[nH]n2C 266848317 OVRLZXDZFZJIHE-UHFFFAOYSA-N 320.353 -0.229 50 20 DBGD Cc1cc(C)nc(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)n1 268494102 VXPUTZXAFJSPMO-UWVGGRQHSA-N 308.342 -0.248 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)COc1ccc(C)cc1 298655847 OAWWLGMHDAVQFL-UHFFFAOYSA-N 308.338 -0.160 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)CC2CCCC2)C(=O)C1=O 299567878 MRFFFEJBSYWYDH-UHFFFAOYSA-N 324.381 -0.595 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CCCC1 299588850 SNXGIZMCDOZIDD-GFCCVEGCSA-N 324.381 -0.549 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cn1 365393175 PLTYTZFKDYPBSF-GFCCVEGCSA-N 314.301 -0.037 50 20 DBGD CN(NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C(N)=O 494642417 XIQIXBBPGYXWSY-UHFFFAOYSA-N 302.331 -0.336 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)OC)nc1 495480564 NCOSNFRQTWWLCQ-UHFFFAOYSA-N 303.300 -0.618 50 20 DBGD Cn1ncnc1C=NNC(=O)NCCNC(=O)OC(C)(C)C 496279694 ZTWLZKMBYQKCBC-UHFFFAOYSA-N 311.346 -0.027 50 20 DBGD CC(C)C(=O)NC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584930461 YBXBOGXXDMNTIM-UHFFFAOYSA-N 318.182 -0.257 50 20 DBGD Cc1nc(CCCNC(=O)c2cc(B(O)O)ccc2F)n[nH]1 584954204 JKVYRNOSKAATNL-UHFFFAOYSA-N 306.106 -0.705 50 20 DBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](O)C(F)(F)F 584968925 PQYHTDCXCMTIPV-NXEZZACHSA-N 323.051 -0.063 50 20 DBGD CCNC(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCC1 584980868 NCYYRBFSWUYWGX-UHFFFAOYSA-N 304.155 -0.597 50 20 DBGD CN(C)CC(=O)NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 727761647 WWPUZOCSWCHOEU-GHMZBOCLSA-N 324.381 -0.739 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2c(F)cccc2F)C1=O 748175805 PYESHHKKPNONCC-UHFFFAOYSA-N 312.232 -0.172 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)nn1C 751203224 KUGSYJZLPDZFQJ-UHFFFAOYSA-N 305.294 -0.487 50 20 DBGD Cc1oc(C(=O)NNC(=O)c2ccc[nH]2)cc1S(N)(=O)=O 755628139 ACYIRWURMYDYDN-UHFFFAOYSA-N 312.307 -0.362 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(C(N)=O)nc1 757701463 ZSKSWYFLLZLIHP-UHFFFAOYSA-N 303.282 -0.321 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[S@@](=O)C1 763876883 IMLUWAJYHKYDPE-WVDJIFEKSA-N 303.428 -0.120 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(C(N)=O)CCC1 769098707 SUFPBCXLJJWVMW-SECBINFHSA-N 313.354 -0.233 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCCS1(=O)=O 772582006 SLWWASFLWZLBMK-SECBINFHSA-N 305.356 -0.973 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C\c1cnc(OC)nc1 775130475 FUICYSOUELQYHC-UDIARPCQSA-N 322.321 -0.013 50 20 DBGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1cn[nH]c1 794849924 DPEUXXRTYMGTTD-UHFFFAOYSA-N 309.311 -0.362 50 20 DBGD CN1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O 826018455 ZOCBDCGMLFARMT-SECBINFHSA-N 301.310 -0.212 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](N2CCCC2=O)C1 827275626 WPMBJZXPMRXKHM-QJPTWQEYSA-N 324.381 -0.151 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)Cc1ccncc1)C(C)=O 829562326 ZABKRRQWYMRVGN-LBPRGKRZSA-N 321.333 -0.070 50 20 DBGD CC1(C)C[C@@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858528141 CSVJUHNOYWWERX-UWVGGRQHSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H](O)Cc2ccccc2)N1 858695795 HLBKLRBQIVPORK-NEPJUHHUSA-N 320.349 -0.801 50 20 DBGD COC(=O)c1ccnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 860911629 QYSNOPYWDVEGSD-QMMMGPOBSA-N 321.293 -0.701 50 20 DBGD CN1CCOc2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc21 862458950 KOGYXKLTDCKLFL-JTQLQIEISA-N 318.333 -0.445 50 20 DBGD COC(=O)Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862462489 XHLWHRFZMLSXOY-NSHDSACASA-N 319.317 -0.558 50 20 DBGD C[C@@]1(C(=O)N(CCO)CCOCCO)C[C@@H]1Br 912771051 QRZHFMGPTHIPGD-GXSJLCMTSA-N 310.188 -0.010 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1CC2(C1)OCCO2 927095324 QRDFVRTVKYKHHC-KOLCDFICSA-N 313.354 -0.105 50 20 DBGD Cc1nc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1C#N 1115922043 YEYPDGZYCCJQLR-UHFFFAOYSA-N 301.306 -0.355 50 20 DBGD CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1118803973 UGMVWLOIGVMEIM-HXUWFJFHSA-N 301.372 -0.099 50 20 DBGD COCCOCC(=O)NNC(=O)C1(COC)CCOCC1 1118980531 KZHHUANBZYYBEG-UHFFFAOYSA-N 304.343 -0.760 50 20 DBGD O=C(NNC(=O)N1CCN([C@@H]2CCOC2)CC1)c1cn[nH]c1 1261792036 KBTAMAUGUQUUFF-LLVKDONJSA-N 308.342 -0.829 50 20 DBGD COC(=O)c1cccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)c1 1320065399 JSLPOGIEOMPWBC-SNVBAGLBSA-N 320.305 -0.096 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)cn1 1320346837 IBGPFRDJWBAGFT-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD CN(NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC1 1326169532 GFUKSAFNRYZSPI-UHFFFAOYSA-N 312.351 -0.602 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1326744830 VRYZYJLFLVPCLG-UHFFFAOYSA-N 305.294 -0.616 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2ccc(F)cc2)N1 1328752770 XYJKXIHLUXVIBT-NSHDSACASA-N 308.313 -0.023 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1C 1329569947 NVWKLZHDUKIPAR-CBAPKCEASA-N 302.356 -0.537 50 20 DBGD Cc1cncc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1329698637 RFIXAGBWJMCTNG-SNVBAGLBSA-N 312.351 -0.479 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)c1n[nH]c2c1CCCC2 1339986282 GSKYWPBRJPOUGI-UHFFFAOYSA-N 303.326 -0.200 50 20 DBGD C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CN2C1 1346387537 IEQZZHHBDAVLLK-AGIUHOORSA-N 322.409 -0.123 50 20 DBGD CCN1C(=O)C[C@H](C(=O)NNC(=O)CN)[C@H]1c1cccnc1 1577755835 GALWZTBMANWOJB-GXFFZTMASA-N 305.338 -0.903 50 20 DBGD CN(CC(=O)NNc1cccc(C(=O)O)c1F)S(C)(=O)=O 1598396848 SVOBBMHNWLWBOX-UHFFFAOYSA-N 319.314 -0.142 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2cc(C(=O)O)co2)O1 1607463219 GNQFTFXVXTXKDY-XPUUQOCRSA-N 318.307 -0.145 50 20 DBGD O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NNC(=O)C(=O)O 1608434517 KWAUQLLFQMGAIW-LURJTMIESA-N 312.248 -0.714 50 20 DBGD NC(=O)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776032899 DDPCLXXLOKJIRS-UHFFFAOYSA-N 300.296 -0.948 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)nc1 48937270 JMWGUDPARUZSEM-UHFFFAOYSA-N 305.743 -0.069 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)NC)ccc1C 65190384 UWYACOACTLHLFH-UHFFFAOYSA-N 314.367 -0.133 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)cc1 263981825 BOQDEAMCGJAAOG-SNVBAGLBSA-N 313.379 -0.013 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)Cc2ccccc2OC)CC1 264407105 RXAJISMXLZIGHM-UHFFFAOYSA-N 305.334 -0.089 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)Cc2ccncc2)CC1=O 266939179 BBONYUNUDNPSKM-LBPRGKRZSA-N 320.349 -0.734 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2)O1 268315382 LLEPZNTZOHNZNH-WDEREUQCSA-N 306.322 -0.337 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCSC1)[C@H]1COc2ccccc2O1 270804774 OMVGSDGIDCOFNA-RISCZKNCSA-N 324.358 -0.158 50 20 DBGD COc1ccc(OC)c(CC(=O)NNC(=O)C(=O)NC(C)C)c1 299329993 BQXYOQHRPJPZOX-UHFFFAOYSA-N 323.349 -0.082 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccccc1 299600410 RZZOLZSRANVGOP-SNVBAGLBSA-N 313.379 -0.296 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)COCC(F)(F)F 299620854 FXLQBOWWMMTHRX-UHFFFAOYSA-N 323.227 -0.264 50 20 DBGD CC(C)N1CCC(NC(=O)COc2ccc(B(O)O)cc2)CC1 584909632 NVWSYAFJOXRFMQ-UHFFFAOYSA-N 320.198 -0.266 50 20 DBGD CNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584965406 QQGHIKKHOXECKU-QWHCGFSZSA-N 304.155 -0.599 50 20 DBGD CN1CCC[C@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 584993416 UXROPSCTXIUXPZ-INIZCTEOSA-N 302.183 -0.076 50 20 DBGD O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1cccc(B(O)O)c1 584997355 AUOWQIGDNYYPOB-OLZOCXBDSA-N 302.139 -0.750 50 20 DBGD CC(C)(C)N1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1=O 585001192 SWOHEVOWEFLTDC-LBPRGKRZSA-N 322.145 -0.365 50 20 DBGD O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cc(B(O)O)ccc1F 585009287 VXIHNDVKSHRUBX-LBPRGKRZSA-N 319.101 0.332 50 20 DBGD CCN(CCCNCc1cccc(B(O)O)c1)S(C)(=O)=O 585016832 ARRHMWAZOSHGCR-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD OB(O)c1ccc(CNCCOc2ccc3c(c2)OCO3)o1 585016837 AVLUTGIAPGCHGK-UHFFFAOYSA-N 305.095 -0.143 50 20 DBGD CN1CCN(CCCCNCc2ccccc2B(O)O)CC1 585018081 PNXYNMFYXMXQFW-UHFFFAOYSA-N 305.231 -0.516 50 20 DBGD C[C@@H](c1nc(-c2cccc(B(O)O)c2)no1)N1CCOCC1 585052300 YDKWAHVAKPWRFK-JTQLQIEISA-N 303.127 -0.190 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)Nc1cc(C)on1 731848982 QWMFOUSCHVUZPA-SECBINFHSA-N 311.342 -0.201 50 20 DBGD CC(C)(C(=O)NNC(=O)Cc1cc[nH]n1)n1cc([N+](=O)[O-])cn1 755275347 GMENZANOACVQOA-UHFFFAOYSA-N 321.297 -0.360 50 20 DBGD COCCC(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 758853903 NVRHQUCDPHRLTR-SECBINFHSA-N 306.384 -0.369 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1OC 766260106 OXZXSOWAIBGKER-UHFFFAOYSA-N 320.305 -0.311 50 20 DBGD C=CCN1CC[C@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1=O 799177558 RZGDPKUWOYKYCG-NSHDSACASA-N 310.398 -0.101 50 20 DBGD CC(C)C[C@H](CNC(=O)NNC(=O)[C@H]1COCCO1)C(=O)O 818627838 NVFJDZILDMWXHZ-NXEZZACHSA-N 317.342 -0.521 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H]2C(=O)O)c1 821340421 HVTGLDNSXJBKIM-GFCCVEGCSA-N 316.317 -0.132 50 20 DBGD CCCN1CC[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1 823054083 JZKUMFDYUZVMAU-LLVKDONJSA-N 311.386 -0.577 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc(C(=O)O)c(F)c1 833149136 GIHUCAJNHZUPAE-SNVBAGLBSA-N 312.253 -0.300 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 843980909 YCXPURKARRWQRN-VXNVDRBHSA-N 320.305 -0.402 50 20 DBGD CON1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 846982074 PQRDGAIJLXYGIK-UHFFFAOYSA-N 310.329 -0.234 50 20 DBGD CCC[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)S(N)(=O)=O 854683027 JXWSJPMGOUECEO-RKDXNWHRSA-N 307.372 -0.840 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 858340978 UKLGGFLYQDDUNC-VXGBXAGGSA-N 320.349 -0.017 50 20 DBGD COCC1(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 858489440 CSXQMSRRYDVVLC-SNVBAGLBSA-N 312.370 -0.198 50 20 DBGD O=C(Cc1ccc2c(c1)CCO2)NNC(=O)[C@H]1CCC(=O)N1 862450452 UCFNSWZRJVEPTI-LLVKDONJSA-N 303.318 -0.410 50 20 DBGD CN(CCO)c1ccc(C=NNC(=O)CS(C)(=O)=O)cc1 863188571 HAKMBXVHVBWZLP-UHFFFAOYSA-N 313.379 -0.390 50 20 DBGD Cc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C#N 863413564 SLTPAHCEFWYCBY-SNVBAGLBSA-N 322.346 -0.545 50 20 DBGD CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(B(O)O)cc1 863891410 PPEFCCALYSYCJK-HNNXBMFYSA-N 309.171 -0.451 50 20 DBGD O=C(NNC(=O)c1ncc2ccccn12)C(=O)N1CCCC1 865070805 KRMXXOPKOOMDKI-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD Cc1n[nH]cc1CCCNC(=O)c1cc(B(O)O)ccc1F 873993195 FDJKFNBXNDISIW-UHFFFAOYSA-N 305.118 -0.100 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C1SCCCS1 913733390 HYUPCEOGBXDJHD-UHFFFAOYSA-N 303.409 -0.048 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCCNC2=O)c(O)c1 918339407 NKPSKPDPVLZEAP-UHFFFAOYSA-N 306.322 -0.123 50 20 DBGD Cn1ccc(CC(=O)NNC(=O)CNC(=O)c2ccco2)n1 1118271236 XPVJNEBTBPTHOL-UHFFFAOYSA-N 305.294 -0.867 50 20 DBGD CONC(=O)CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1262294782 DYSCLTQZLPHLOR-LHLIQPBNSA-N 322.159 -0.930 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)Cn3ccccc3=O)nc21 1319390713 FFXTZKNHOHVVTK-UHFFFAOYSA-N 315.293 -0.626 50 20 DBGD COCC[C@H](N)C(=O)NNC(=O)CNc1ccccc1OC 1578997273 AGBBIRLQPIXLAE-JTQLQIEISA-N 310.354 -0.382 50 20 DBGD COc1nsc(OC)c1C(=O)NNC(=O)[C@@H]1CCCNC1 1579329154 BLBIVCXMZAZKHR-SSDOTTSWSA-N 314.367 -0.079 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)c1ncccn1 1594782982 QCQNOUUUAGVSLE-UHFFFAOYSA-N 310.335 -0.164 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1604839126 CWFPDPLDPGNTNI-JTQLQIEISA-N 301.310 -0.069 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)Nc1ccc(C(=O)O)nc1 1608479248 VRJAJDFHTLTXLV-SECBINFHSA-N 310.266 -0.652 50 20 DBGD COCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 263923217 QDKLQRKOCKMILT-UHFFFAOYSA-N 300.336 -0.112 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2nc(C)cc(C)n2)nn1 266972291 TWAHOQPWCDGLDX-UHFFFAOYSA-N 305.298 -0.385 50 20 DBGD O=C(CC[C@H]1CCCO1)NNC(=O)CNC(=O)c1cccnc1 268833186 LQBKXSYJJPLADR-GFCCVEGCSA-N 320.349 -0.082 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1cnn(CCOC)c1 269578997 AFXBKHRORPLFLB-VIFPVBQESA-N 304.372 -0.115 50 20 DBGD CN(NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1)C(N)=O 272144198 DZNGJBFAHJZDJG-LLVKDONJSA-N 306.322 -0.544 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 272637716 CUTTXDXEIYQAOY-UHFFFAOYSA-N 318.355 -0.164 50 20 DBGD COCCN1C[C@@H](C(=O)NNc2nc3ccccn3n2)CC1=O 276849341 OCDGLXHMTZLNAV-JTQLQIEISA-N 318.337 -0.333 50 20 DBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNC(=O)CC1CC1 294283107 VRFGULQKKCGJFA-UHFFFAOYSA-N 305.334 -0.002 50 20 DBGD C[C@@H](CN1CCOC[C@H]1C)NC(=O)c1ccc(B(O)O)c(F)c1 584942032 QEFMJMZYTFIUES-WDEREUQCSA-N 324.161 -0.656 50 20 DBGD COC[C@H](C)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584947633 WSHUQUULEMOQNH-NSHDSACASA-N 324.161 -0.702 50 20 DBGD CCO[C@H]1C[C@@](O)(CNC(=O)c2ccc(B(O)O)cc2)C1(C)C 584980011 NJRSHHIFAAIIPV-XJKSGUPXSA-N 321.182 -0.338 50 20 DBGD CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCB(O)O 585055098 XWFGQJQWRGWSFM-UHFFFAOYSA-N 310.543 -0.243 50 20 DBGD NC(=O)c1cc(C(=O)NNC(=O)CNc2ccccc2)c[nH]1 729513725 LTINUOIEZFUDSR-UHFFFAOYSA-N 301.306 -0.013 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)Cc3cc[nH]n3)nc2n1 730090551 JFPQAJSYMOCWBP-UHFFFAOYSA-N 314.309 -0.532 50 20 DBGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)CO)c1C 757721323 LJHWERSWPFVSOR-UHFFFAOYSA-N 316.339 -0.952 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H]1CCNC1=O 759425851 OPIYWCUHSKKYPV-GFCCVEGCSA-N 315.333 -0.860 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H](C)C1 763895547 NGGYAGIMOKTOGD-UWVGGRQHSA-N 305.400 -0.701 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)COCc2ccccc2)C1=O 773084782 ASLVOOAJQAMKTL-GFCCVEGCSA-N 305.334 -0.171 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)c2cc3c(s2)CCC3)c1=O 778528131 VOKXIWIBGVIQIA-UHFFFAOYSA-N 321.362 -0.407 50 20 DBGD CCn1cc(CC(=O)NNC(=O)CNC(=O)c2ccco2)cn1 780545829 SJFZHVUKZHNFSO-UHFFFAOYSA-N 319.321 -0.384 50 20 DBGD CCNC(=O)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 782346343 QHHRMYNQCUXKGO-VIFPVBQESA-N 301.343 -0.362 50 20 DBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 795081402 QSDNPXCAZIOBFR-DJLDLDEBSA-N 309.388 -0.867 50 20 DBGD CC1=C(C(=O)NNC(=O)c2ccccn2)Cn2nnnc2N1C 798149555 ATWOHQHCNHQBRJ-UHFFFAOYSA-N 314.309 -0.747 50 20 DBGD O=C(NNC(=O)c1nc[nH]c1C(F)(F)F)C(=O)N1CCCC1 824877073 IXXGMVUZUABRES-UHFFFAOYSA-N 319.243 -0.188 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@@H]1CCCO1 826649014 TXMDGGCLQANZKG-WYUUTHIRSA-N 315.370 -0.064 50 20 DBGD CN(CC(=O)NNC(=O)Cc1cn2ccccc2n1)C(=O)O 828107941 ITPYTFZXXFHEFQ-UHFFFAOYSA-N 305.294 -0.366 50 20 DBGD CSSCCNC(=O)NCCOCCS(N)(=O)=O 854139791 MCENUYRHACOADG-UHFFFAOYSA-N 317.458 -0.398 50 20 DBGD C[C@@H]([C@@H](C)NC(=O)NNC(=O)c1cn[nH]c1)N1CCOCC1 858235783 RBFQSONGADAOOM-ZJUUUORDSA-N 310.358 -0.537 50 20 DBGD CC(C)C(=O)N1CCCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 858704683 OROJXPIPQUFLDD-UHFFFAOYSA-N 322.369 -0.046 50 20 DBGD CC(C)(C)OC(=O)[C@](C)(O)CNCc1cccc(B(O)O)c1 863891539 SEJQNGQPZGVKFQ-OAHLLOKOSA-N 309.171 -0.451 50 20 DBGD CC(C)(CCl)CS(=O)(=O)NCCNS(C)(=O)=O 866456122 VLCPYGPWJLRPEC-UHFFFAOYSA-N 306.837 -0.280 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1118314074 LIRZRWHLQANYDD-BDAKNGLRSA-N 301.310 -0.383 50 20 DBGD O=C(NNC(=O)c1cn(-c2ccccc2)nn1)C(=O)NC1CC1 1317820603 CZDIOKHTPQBCCN-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NC[C@@H](O)C1CCOCC1 1318624218 IOMGJBKQRQVYNN-CYBMUJFWSA-N 322.365 -0.258 50 20 DBGD O=C(NNc1ncc(F)cn1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1319675945 RQSNESOQUBUUIU-UHFFFAOYSA-N 316.252 -0.098 50 20 DBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326716380 UXRAFLMEHGFIKQ-FSPLSTOPSA-N 304.328 -0.700 50 20 DBGD Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331518037 BJMICDMDGSHRCK-XVKPBYJWSA-N 308.342 -0.601 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NN(C)C[C@H](C)O)CC1 1332149397 QZIPOFVPPHQYQR-JTQLQIEISA-N 307.416 -0.608 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2noc3c2CCCC3)N1 1334932805 FJTGPYBKEKEMKC-SECBINFHSA-N 321.337 -0.338 50 20 DBGD COC[C@@]1(C(=O)NNC(=O)c2cccc(C)n2)CNCCO1 1578977234 ZINPCKMHTZVIBY-CQSZACIVSA-N 308.338 -0.844 50 20 DBGD NCC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC(O)C1 1580235889 GNWPBXIMMBYNIJ-YAKODHLKSA-N 321.333 -0.926 50 20 DBGD O=C(NNC(=O)c1cccc(F)c1-c1nn[nH]n1)c1cnn[nH]1 1593158819 GOLGCWJJKRJLQA-UHFFFAOYSA-N 317.244 -0.801 50 20 DBGD CN(C)[C@@H](CNC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1 1598170014 IYTDYABCOMAXKA-JTQLQIEISA-N 312.301 -0.157 50 20 DBGD CN1CCN(CC(=O)NNc2cccc(F)c2C(=O)O)CC1=O 1606239139 JCARRKUJQIKZMF-UHFFFAOYSA-N 324.312 -0.259 50 20 DBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)O)C1 1846173861 QCYJPSJRRYAKLO-ZJUUUORDSA-N 304.774 -0.176 50 20 DBGD O=C(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl)C1CC1 1847517861 VSOHCKALICGTFO-DCAQKATOSA-N 314.769 -0.233 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=S)NC(C)(C)C)C1=O 8302293 XNWQTLBKUMJJRR-UHFFFAOYSA-N 301.372 -0.826 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC(C)C)o1 49468053 SBOAMMFKTVBQEB-UHFFFAOYSA-N 304.328 -0.460 50 20 DBGD CCCn1nc(C(=O)NNC(=O)[C@H](C)O)c2ccccc2c1=O 270791560 XGASLYHTHCZUTI-VIFPVBQESA-N 318.333 -0.052 50 20 DBGD COCCN(CC(=O)NNC(=O)c1ccccc1)CC(=O)OC 272352475 XVYJULRYPGYLEM-UHFFFAOYSA-N 323.349 -0.431 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nccnc1N 273320525 WZVXBLZICDWOOB-SSDOTTSWSA-N 324.341 -0.267 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)c2ccccn2)n1 275045814 RSFJFLRFCGUDOY-UHFFFAOYSA-N 304.310 -0.076 50 20 DBGD COc1cc(C)nc(NNC(=O)CCn2ncn(C)c2=O)n1 293255398 PMOUNRSEJXAECD-UHFFFAOYSA-N 307.314 -0.778 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298807269 NFMJJGYQQBRMGX-FSZOTQKASA-N 319.361 -0.013 50 20 DBGD CCOC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 495347570 LITPCMMNLKUNNV-JTQLQIEISA-N 324.341 -0.405 50 20 DBGD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584940100 PDGBAFYTQYUWED-BDAKNGLRSA-N 310.134 -0.462 50 20 DBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584968125 IFDPINKLYAWWIC-BXKDBHETSA-N 308.118 -0.850 50 20 DBGD CCCN1CCN(C(=O)c2cccc(B(O)O)c2)C(C)(C)C1=O 584974094 MHQSHOADXZHUDF-UHFFFAOYSA-N 318.182 -0.161 50 20 DBGD O=C(N[C@H](C1CC1)[C@@H](CO)C1CC1)c1ccc(B(O)O)cc1 584998581 RISJEKHLPNNUEB-LSDHHAIUSA-N 303.167 -0.107 50 20 DBGD CN(C)[C@@H](CNCc1ccccc1B(O)O)c1cnn(C)c1 585027869 FFRIVYHSZHFRBZ-HNNXBMFYSA-N 302.187 -0.508 50 20 DBGD O=C(NNC(=O)[C@H]1Cc2ccccc21)N[C@H]1CCS(=O)(=O)C1 742055160 KWVDLJFDGOXNSW-JQWIXIFHSA-N 323.374 -0.156 50 20 DBGD C[C@H]1CN(c2ccc(C(=O)NNC(=O)CO)cn2)C[C@@H](C)O1 753442691 MDFLPPOXCRGSRD-AOOOYVTPSA-N 308.338 -0.552 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2n[nH]c3c2CCCC3)nn1 757401844 GIXUKZNXLYXVQK-UHFFFAOYSA-N 301.310 -0.066 50 20 DBGD COCCO[C@H](C)C(=O)NN[C@H](C(=O)OC)c1cccnc1 771904192 SGESPSKRASCWPO-PWSUYJOCSA-N 311.338 -0.032 50 20 DBGD COc1ccc(NNC(=O)NCCNC(=O)c2cc[nH]n2)nc1 781017007 OETZXOSRMBPKSB-UHFFFAOYSA-N 319.325 -0.131 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNc2ccc(F)cn2)nn1 790915908 YEFSBXTVSSWFAG-UHFFFAOYSA-N 323.288 -0.075 50 20 DBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802027724 UKIZVSJNWLPFSF-CQSZACIVSA-N 305.338 -0.085 50 20 DBGD COc1cccc([S@](=O)CC(=O)NNC(=O)C(C)(C)O)c1 819509367 XIIJHPBAICQKIB-OAQYLSRUSA-N 314.363 -0.279 50 20 DBGD Nc1ncnc2cc(C(=O)NNC(=O)N3CCOCC3)ccc12 824621129 JFOWFGRWQSDJQU-UHFFFAOYSA-N 316.321 -0.101 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C(=O)C2CC2)C1 827259015 GPVGPUSZWWZHFC-MWLCHTKSSA-N 310.354 -0.336 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CC12CCNCC2 831180630 PXVPXSRKHLXJCR-MNOVXSKESA-N 314.386 -0.490 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)C1CCCC1 852279295 QMZLTLRCUDGXQM-UWVGGRQHSA-N 319.383 -0.681 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)[C@H]3CCCCO3)nn2c1 854683896 WJDNRUGGDQZEGS-SECBINFHSA-N 304.310 -0.237 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cc(Cl)nc(N)n2)O1 860728161 PFFGQLQYFIVXIX-CRCLSJGQSA-N 300.706 -0.812 50 20 DBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 863412870 NYKHHKKDIRYUMB-KXUCPTDWSA-N 318.399 -0.892 50 20 DBGD COC(=O)[C@@H](CNC(=O)c1cccc(B(O)O)c1)CC(C)C 863874496 XIRIYHZURSDWIB-GFCCVEGCSA-N 307.155 -0.069 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCNC1=O 864590707 OADRTRYVHKKGQN-SECBINFHSA-N 302.400 -0.613 50 20 DBGD Cc1cc(C=NNC(=O)C(N)=O)c(C)n1CCN1CCOCC1 915935410 PKTULWMVZHXNHB-UHFFFAOYSA-N 321.381 -0.627 50 20 DBGD CN(C)C(=O)NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 1115916180 ZMTTUBZWZLMUGY-UHFFFAOYSA-N 314.367 -0.431 50 20 DBGD Cc1noc([C@@H](C)NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n1 1115948485 AAXBWCWSJSHKPO-HQJQHLMTSA-N 317.371 -0.180 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)ccc1=O 1116604068 MJAVDFIYLOERAD-UHFFFAOYSA-N 310.310 -0.120 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCOC[C@H]1C 1261451767 HVIYUYIFOYUFCE-WOPDTQHZSA-N 314.386 -0.538 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)cn(C)c1=O 1320241520 VEVQJDMGMZQDPH-UHFFFAOYSA-N 306.322 -0.420 50 20 DBGD Cc1c(C(=O)NNc2ncc(F)cn2)nnn1-c1ccn(C)n1 1324687876 MJDPEYPCUGYTDY-UHFFFAOYSA-N 317.288 -0.005 50 20 DBGD CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)CO)c1 1325298860 IAKNKPBRULUFKF-UHFFFAOYSA-N 301.324 -0.799 50 20 DBGD CCS(=O)(=O)CC(=O)NNc1ccc(-n2ccnc2)nn1 1326494232 GXNKEQKZQMOGCM-UHFFFAOYSA-N 310.339 -0.460 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 1329863431 YHHAPQXGLAAXNP-JTQLQIEISA-N 307.416 -0.608 50 20 DBGD CCc1cnc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1334907259 ODSQPYRTPPOXQM-MRVPVSSYSA-N 311.367 -0.186 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1OC(F)F 1336670159 SVVSGTWDQWEPQC-RXMQYKEDSA-N 317.252 -0.939 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)COc1ccc(C#N)cc1 1593907978 DFMKLPXEJGGRCV-NSHDSACASA-N 307.262 -0.816 50 20 DBGD O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(B(O)O)cc1 1594786988 WHHIZOFHUIGQEO-CQSZACIVSA-N 313.118 -0.208 50 20 DBGD O=C(O)c1ccc(NNC(=O)c2cnn(C[C@@H](O)CO)c2)nc1 1602384641 SXJMOLORHYSSSJ-SNVBAGLBSA-N 321.293 -0.914 50 20 DBGD COC[C@@]1(C(=O)O)CCN(CC(=O)NNC(=O)C(C)C)C1 1604541909 MPEUFWBMGYCAHW-CYBMUJFWSA-N 301.343 -0.787 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C23CCC(C(=O)O)(CC2)C3)N1 1609036283 YVNPDGFGFVEKEN-UWEQVVMYSA-N 309.322 -0.553 50 20 DBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O)C(Cl)Cl 1792902096 SIOMOOBCNHCDAH-KVSKUHBBSA-N 311.165 -0.261 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(CCO)C2CC2)n1 79990249 WVZZMHWOVXLKMY-UHFFFAOYSA-N 312.395 -0.402 50 20 DBGD CCOC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 198560485 NJNHGCHEDOLTIU-MPKXCIJOSA-N 307.306 -0.429 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)C1CCC1 280810270 GZPCRPMFZNYNSH-OAHLLOKOSA-N 307.350 -0.145 50 20 DBGD COc1ccc(NNC(=O)NCCS(=O)(=O)N(C)C)nc1 290886099 GPXBRMBWVHJNDU-UHFFFAOYSA-N 317.371 -0.392 50 20 DBGD COC(=O)c1cn(CC(=O)NN(C)C(=O)OC(C)(C)C)nn1 297492193 ASUKLZBGXIEKNT-UHFFFAOYSA-N 313.314 -0.037 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)OC)c1 490675576 TWCVULCKEGQAFJ-UHFFFAOYSA-N 304.280 -0.272 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](N2CCCC2=O)C1 584980483 ATNFCGBMNSMRFL-ZDUSSCGKSA-N 302.139 -0.797 50 20 DBGD O=C1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)[C@H](C2CC2)N1 584987718 TVTNUXPBIOZBOM-OCCSQVGLSA-N 320.129 -0.708 50 20 DBGD C[C@@H](CO)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 585003502 RFNDHRHZTJACJB-JTQLQIEISA-N 309.146 -0.014 50 20 DBGD CCN=c1nc(NC(C)(C)C)[nH]c(N2CC[C@@H](B(O)O)C2)n1 585079252 VZAWVZVOLIUWLE-SECBINFHSA-N 308.195 -0.011 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(O)ccc1O 728436823 JWEYEGGIZSZHSP-QMMMGPOBSA-N 315.351 -0.124 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccn1 729276340 CTZQFDNVTNCKEG-SSDOTTSWSA-N 301.328 -0.828 50 20 DBGD CC[C@@H](CO)NCC(=O)NNC(=O)Cc1nc(C)cs1 737389091 YZOJTXHDFWTVGR-VIFPVBQESA-N 300.384 -0.498 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)N1CCOCC1 745986259 PXKDVGZBNVJEBH-QMMMGPOBSA-N 314.371 -0.631 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cn1cc2ccccc2n1 748516111 YSFRNMYQISUZFW-UHFFFAOYSA-N 303.322 -0.292 50 20 DBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCSC1 764072751 XXGRUZWRSFCWTC-JTQLQIEISA-N 314.411 -0.807 50 20 DBGD CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764422544 VUOCAITVTYXCOA-UHFFFAOYSA-N 322.321 -0.641 50 20 DBGD CN(CC(=O)NNc1ccc(C(N)=O)nn1)[C@H]1CCSC1 764565613 JIRPBJITIHNAQH-QMMMGPOBSA-N 310.383 -0.544 50 20 DBGD CNc1nc(C)cc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 806718147 UUPDGIZRBOMJMC-UHFFFAOYSA-N 306.326 -0.790 50 20 DBGD COc1cnc(C(=O)NNC(=O)Cn2nc(C)cc2C)nc1 814756656 TUAUQALRSCRNKX-UHFFFAOYSA-N 304.310 -0.240 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)[C@H]1COCCO1 823273735 WJJZAZWFTXAWDU-MRVPVSSYSA-N 308.323 -0.206 50 20 DBGD CCN(CCO)NC(=O)CNS(=O)(=O)c1ccccc1F 823834027 OVGBEFBVXJKHTB-UHFFFAOYSA-N 319.358 -0.551 50 20 DBGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1CCNC1=O 824305543 INMWZXYQNODDDX-QMMMGPOBSA-N 323.265 -0.867 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCS1(=O)=O 848373276 AXKAYPASWRYAGT-SECBINFHSA-N 322.383 -0.500 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 848375097 MGAUSTYWTWJTFP-UHFFFAOYSA-N 323.313 -0.826 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)Cc1cccnc1 852059431 DMJVQNXAGVPCRF-UHFFFAOYSA-N 309.326 -0.347 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 852394724 WKOXECOGLFZUJO-BDAKNGLRSA-N 302.331 -0.560 50 20 DBGD Cn1nncc1NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 857273652 UCLAQTUCHHBXEY-LURJTMIESA-N 306.248 -0.189 50 20 DBGD COC(=O)c1cnn(CC(=O)NNc2nccc(OC)n2)c1 858404030 OPMDCZDZPFJOLA-UHFFFAOYSA-N 306.282 -0.388 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C2=Cc3ccccc3OC2)N1 862449421 FVTJXMASVMUTOQ-NSHDSACASA-N 301.302 -0.112 50 20 DBGD COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(B(O)O)c1 863879718 YTESLKMDFRWDOI-MFKMUULPSA-N 305.139 -0.220 50 20 DBGD O=C(Cn1cc(CN2CCCCC2)nn1)NNC(=O)C1CC1 881294115 WCKYFVJHJJXQJC-UHFFFAOYSA-N 306.370 -0.179 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 1116181886 LBYDOYDCCIJFEU-NXEZZACHSA-N 300.359 -0.390 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc(O)nc(C2CC2)n1 1261547615 QJZFUHYFCUSXSV-UHFFFAOYSA-N 307.310 -0.254 50 20 DBGD O=C(NNC(=O)c1cc(F)cc2nccnc12)C(=O)NC1CC1 1317910693 WIYIEEDNSQTOMW-UHFFFAOYSA-N 317.280 -0.192 50 20 DBGD CN(C)N(C(=O)c1cnn(CCF)c1)[C@@H]1CCS(=O)(=O)C1 1323322440 MQQDYYXDEMTIGC-LLVKDONJSA-N 318.374 -0.042 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)CN1 1323428807 RWIWIVWSGIWCBE-JTQLQIEISA-N 315.333 -0.450 50 20 DBGD O=C(NN=C1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1327803126 YAAFVLVQSLMNFQ-QMMMGPOBSA-N 308.381 -0.898 50 20 DBGD CS(=O)(=O)Nc1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1335429417 BYRIHUWGUBPPKU-SNVBAGLBSA-N 312.156 -0.253 50 20 DBGD C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C[C@@H](O)CN1 1573600184 ACISWSIONFGLMS-MEBBXXQBSA-N 321.333 -0.668 50 20 DBGD C[C@]1(C(=O)NNc2cc(O)nc3ncccc23)C[C@@H](O)CN1 1576349942 KNGMASVSTDPGRF-XLKFXECMSA-N 303.322 -0.109 50 20 DBGD C[C@]1(C(=O)NNC(=O)COc2ccc(F)cc2)C[C@H](O)CN1 1576351334 YMBPXGZOIUBGMW-IINYFYTJSA-N 311.313 -0.535 50 20 DBGD CC[C@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccs1 1594756102 XKRPCQJSXIHBBE-ZETCQYMHSA-N 313.335 -0.264 50 20 DBGD Cc1nnc(NNC(=O)C(=O)Nc2cc(C(=O)O)cs2)n1C 1600798507 LYQTXAIJVPIDAL-UHFFFAOYSA-N 324.322 -0.035 50 20 DBGD O=C(NCc1c(F)cccc1-n1cccn1)NNC(=O)C(=O)O 1601530505 BMTXBMYPWYTISW-UHFFFAOYSA-N 321.268 -0.074 50 20 DBGD COCCN(C)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1605095002 PVAFNCBMOXIABI-LLVKDONJSA-N 306.326 -0.491 50 20 DBGD O=CN1CCCN(CC(=O)NNC(=O)c2ccccc2)CC1 273028226 XSVZIUIUDPSZGY-UHFFFAOYSA-N 304.350 -0.388 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1F 273543053 XHYOFQAHRVOJDJ-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD COc1ccc(F)cc1CC(=O)NNC(=O)C(=O)NC1CC1 274899982 FZXNKQBUVBRJQO-UHFFFAOYSA-N 309.297 -0.197 50 20 DBGD C[C@@H](O)CN(CC(=O)NNC(=O)c1ccccc1)[C@H](C)CO 276170010 INSNWHMBEPCRFN-VXGBXAGGSA-N 309.366 -0.489 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)CCOc2ccccc2)O1 279902205 WBRMSRHXVVVZNO-NWDGAFQWSA-N 321.333 -0.364 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298807270 NFMJJGYQQBRMGX-GAIPPQHRSA-N 319.361 -0.013 50 20 DBGD CNC(=O)[C@H]1CN(S(=O)(=O)CBr)CCO1 373310344 KPKFKOIUUCIOQU-ZCFIWIBFSA-N 301.162 -0.885 50 20 DBGD O=C(N[C@H]1CCCN(CCCO)C1)c1ccc(B(O)O)c(F)c1 584996022 VGXUJGOCYILYNP-LBPRGKRZSA-N 324.161 -0.918 50 20 DBGD O=C(N[C@H](CO)[C@@H]1CCCOC1)c1cc(B(O)O)ccc1F 585002128 NLTQSUYBPFTSSD-NOZJJQNGSA-N 311.118 -0.977 50 20 DBGD C[C@H](C(=O)N1CC[C@H](B(O)O)C1)N1C(=O)NC2(CCCC2)C1=O 585067884 WKWMTWFTMGFSTI-ZJUUUORDSA-N 323.158 -0.685 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)c1c[nH]nc1C 731879214 NWKTYDWBIIVZND-UHFFFAOYSA-N 300.340 -0.225 50 20 DBGD Cc1ncc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[nH]1 737467701 ILQFORXSBKKEPZ-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)C1(C(=O)NC2CC2)CC1 747428151 GYZWFICWMMHDGA-UHFFFAOYSA-N 302.334 -0.170 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 780709558 GDARJGHCJYSKGO-VIFPVBQESA-N 306.388 -0.507 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CO)c(C)cc1C 788334485 VTRVDMHXQUNZEX-UHFFFAOYSA-N 323.305 -0.832 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)OC)[nH]1 796365376 IRJWZVJYVPHOHR-SSDOTTSWSA-N 311.294 -0.096 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)C[C@H](C)OC 800837043 KUDAJBIIMNQLCN-QMMMGPOBSA-N 309.388 -0.723 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1c[nH]c(C(N)=O)c1 807370319 YRLHZMCEDSWEHD-UHFFFAOYSA-N 312.326 -0.336 50 20 DBGD CCN(CCO)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 823859846 BDUJDTLJRMIWQI-MRXNPFEDSA-N 307.394 -0.031 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NN(C)[C@H](C)CO 823922172 IMFGMAYTHREZKL-MWLCHTKSSA-N 307.416 -0.563 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccccc1-c1nn[nH]n1 826138422 UMFYUVNBAVBMKL-UHFFFAOYSA-N 303.282 -0.327 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 832691375 HLXUKEXXEDCZPK-WCBMZHEXSA-N 322.321 -0.399 50 20 DBGD CCN1C[C@@H](NC(=O)NNc2nc3ccccn3n2)CC1=O 838675016 JVAWKRLPRCNAIG-VIFPVBQESA-N 303.326 -0.024 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](CN2CCCC2=O)C1 852678211 FGPNISJIHPGQSD-LBPRGKRZSA-N 310.398 -0.266 50 20 DBGD CCc1noc(CC)c1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858289072 AMBHFSRCUAAHNV-SNVBAGLBSA-N 323.353 -0.092 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2COC[C@@H]21 858701637 YANDFZVMBXVOHH-LPEHRKFASA-N 310.354 -0.637 50 20 DBGD CN(C)CCn1cc(NC(=O)NNC(=O)c2cn[nH]c2)cn1 860714080 TXDIDCCRYHHWBL-UHFFFAOYSA-N 306.330 -0.366 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862450456 UCPRNNLSTWTIAG-ZCFIWIBFSA-N 311.319 -0.426 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)N1CCSCC1 869908016 HZBUSAYHYDOULK-SNVBAGLBSA-N 305.400 -0.766 50 20 DBGD CC(C)C(=O)NNC(=O)CNS(=O)(=O)c1cccs1 915189304 MRDZABXSTONJDI-UHFFFAOYSA-N 305.381 -0.170 50 20 DBGD CNC(=S)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 1116123451 VMVXPHYMGSHQHP-UHFFFAOYSA-N 303.369 -0.536 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccncc1 1118805933 LWQKNEHRSXNCIA-GXSJLCMTSA-N 305.338 -0.206 50 20 DBGD COCCn1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)n1 1254896410 AWZSTYLHTXRWNK-UHFFFAOYSA-N 309.326 -0.585 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc[nH]1 1317716409 GDGYHCYBNDMYJD-MRVPVSSYSA-N 317.392 -0.304 50 20 DBGD CCOC(=O)N1CCC(NC(=O)NNC(=O)C(=O)OC)CC1 1319300507 WYSJBCQCKLILML-UHFFFAOYSA-N 316.314 -0.889 50 20 DBGD COC(=O)c1ccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)nc1 1319762690 XVBZCDUQAWPMQW-QMMMGPOBSA-N 321.293 -0.701 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](c1ccccc1)N(C)C 1322252946 FWRIWUPWWNQMIR-LLVKDONJSA-N 308.338 -0.207 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)Cc1ccncc1 1326026618 HXKLPVZNEQQCEK-MWLCHTKSSA-N 321.337 -0.589 50 20 DBGD CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 1329172983 QWEMMONAISATKI-LLVKDONJSA-N 322.296 -0.176 50 20 DBGD Cn1ccc(NNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 1330247059 SVADWOXSNPYTAJ-VIFPVBQESA-N 301.372 -0.465 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 1339257979 RIAVKCAKUPUCCV-UHFFFAOYSA-N 306.200 -0.821 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)N=c2cc[nH]cc2)nn1 1344704718 FYIQDVSVNKCFJQ-QMMMGPOBSA-N 305.298 -0.999 50 20 DBGD CC(C)[C@H](N)C(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1575447542 OZSTZZLACXKIFK-ZJUUUORDSA-N 319.427 -0.422 50 20 DBGD NCCCn1ccc(C(=O)NNC(=O)c2cccc(F)n2)n1 1580304287 JSRZTFGKHCRYDA-UHFFFAOYSA-N 306.301 -0.159 50 20 DBGD O=C(NNC(=O)c1sccc1-c1nn[nH]n1)c1cnsn1 1593159337 IRJIMMSIEABZEE-UHFFFAOYSA-N 322.335 -0.146 50 20 DBGD O=C1CCC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)N1 1593395365 FSZHXRICGOZMCY-SNVBAGLBSA-N 301.310 -0.022 50 20 DBGD O=C(NCC1CC1)NNS(=O)(=O)c1ccc(C(=O)O)nc1 1601479830 XAULHKQXOMHCGJ-UHFFFAOYSA-N 314.323 -0.318 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1605702663 BLCQTYZHBUZWEP-KYZUINATSA-N 323.305 -0.035 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNC(=O)c1ccccn1 1606596432 MCFSQBOADCTFNP-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)Cc2ccncc2)n1 1608102454 KCQHVRJYLAQQIO-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ccnnc2)C1 1842397360 KIFNIQHAKISFOS-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843331820 LGNFQRDWEMREDF-QWRGUYRKSA-N 313.785 -0.683 50 20 DBGD O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)C1CC1 29509368 AZFZNJXXXINSDQ-UHFFFAOYSA-N 302.290 -0.753 50 20 DBGD COCCN(C)CCNC(=O)NNc1nc(C)cc(OC)n1 266940193 HVPDELLXLIGHIY-UHFFFAOYSA-N 312.374 -0.002 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](OC(=O)N(C)C)C1 496456170 CKVOAARYTGMXQX-SNVBAGLBSA-N 300.359 -0.438 50 20 DBGD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(B(O)O)ccc1F 584980098 QDICVYBMSVRCOF-JQEORGNBSA-N 320.129 -0.769 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)CN1CCO 585000058 IWMXGDLSPJSOSH-WDEREUQCSA-N 324.161 -0.967 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN1C(=O)CN(C)C1=O 731493990 KRIVIDNBHOKHKG-UHFFFAOYSA-N 320.305 -0.650 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H](C)N(C)C1CC1 748628089 RRTCBURIDKUCBB-GHMZBOCLSA-N 316.402 -0.149 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)CC(F)(F)F 748838980 PPTMDXSHCMDDBY-UHFFFAOYSA-N 322.199 -0.144 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCS1 758043190 FZSMXBYYPWJKNM-YUMQZZPRSA-N 309.413 -0.643 50 20 DBGD O=C(NNc1ncccn1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 779593902 OTRRZGRLNFSIAD-QWRGUYRKSA-N 314.305 -0.110 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CO1 784153882 FOABAQXLZBNZDC-KOLCDFICSA-N 306.322 -0.616 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc2n[nH]cc2c1 792852652 FVPJNDYPLMJNDD-UHFFFAOYSA-N 303.322 -0.223 50 20 DBGD CC1CCN(C(=O)C(=O)NNC(=O)N2CCN(C)CC2)CC1 807382578 LGMFBJUNPZONBT-UHFFFAOYSA-N 311.386 -0.767 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C[C@@H]1CCCC(=O)N1 808344144 OCOLNONGURVSGG-VIFPVBQESA-N 322.321 -0.784 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](c2nc(O)n[nH]2)C1 808777269 JCARFIZQKSQMQI-DTWKUNHWSA-N 310.358 -0.364 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnc(N(C)C)n1C 811635183 OHKYOQPSXNQLMA-LBPRGKRZSA-N 322.413 -0.096 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(=O)n1 843973465 YLLAMLULRILQTO-MNOVXSKESA-N 308.338 -0.567 50 20 DBGD Nc1nccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1[N+](=O)[O-] 848241869 RZCFGJWRCWSHQJ-FTLITQJKSA-N 321.293 -0.100 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 855002666 ZZBSKLJGTYEZHX-MRVPVSSYSA-N 324.303 -0.504 50 20 DBGD O=C1N[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 858091559 BALREGCTGURDMR-VIFPVBQESA-N 308.250 -0.146 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(F)cc2[N+](=O)[O-])N1 862455597 HLTOTSMOEZNWHG-QMMMGPOBSA-N 310.241 -0.227 50 20 DBGD CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)CCCCl 882397326 RXQPYAWKCQEVMO-UHFFFAOYSA-N 313.851 -0.103 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)CC1=O 914719032 OECBCUZAVGGFHG-MRVPVSSYSA-N 310.354 -0.941 50 20 DBGD CC[C@H](CO)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 916571225 ANXLZARLVBTPLS-SNVBAGLBSA-N 310.310 -0.284 50 20 DBGD Cn1c(=O)oc2c(NC(=O)C(=O)NNC(=O)C3CC3)cccc21 1254889219 YCHIQZCQPWEZTQ-UHFFFAOYSA-N 318.289 -0.373 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCO[C@@H]1CN 1261643311 OHDFDSGIEPXKNZ-MWLCHTKSSA-N 313.379 -0.103 50 20 DBGD COCCCOCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1261662692 UOXTVYAUTOUGJT-SNVBAGLBSA-N 322.383 -0.988 50 20 DBGD C[C@@H](CCC(=O)NNC(=O)C1CC1)CC(=O)NNC(=O)C1CC1 1318292444 RCHXVQJECZKUEW-VIFPVBQESA-N 324.381 -0.092 50 20 DBGD Cn1c(O)nc2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc21 1319444412 NSDXVIKDUXETGW-UHFFFAOYSA-N 317.305 -0.682 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1cnn(C)c1)CC2 1320040518 WLYJBSJHQZMENT-SECBINFHSA-N 303.326 -0.656 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)NC1CC1 1321080801 ARUHOKJHKDEYNQ-JTQLQIEISA-N 322.365 -0.939 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)NCc2ccco2)nn1 1323942984 DQNDGYCDGCHLSH-MRVPVSSYSA-N 308.298 -0.545 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCc3ncncc3C2)nn1 1327191053 WCFXMYCICSVVOM-QMMMGPOBSA-N 313.321 -0.386 50 20 DBGD Cc1noc(C(F)F)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329171580 DWNIQDCVMXYXGY-YFKPBYRVSA-N 302.237 -0.040 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 1333214710 LDGBPWHVBUROIN-VIFPVBQESA-N 308.342 -0.719 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H](C)C(=O)NCCF)n1 1339913606 JHVJBLHWHZMIOL-VIFPVBQESA-N 311.317 -0.192 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2ccc(C(=O)O)n2C)n[nH]1 1607636972 ZHFZSTSCLNISRU-UHFFFAOYSA-N 305.294 -0.241 50 20 DBGD COCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793109934 JOLXKHJMJFCLIA-LMLFDSFASA-N 304.774 -0.129 50 20 DBGD O=C([C@@H]1CCOC1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354125 JGOGESYAQZFEEQ-MNOVXSKESA-N 316.785 -0.174 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)CN1CCCCCCC1=O 186093355 PEVLQAMFZDLHHQ-UHFFFAOYSA-N 307.354 -0.108 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)COc2ccccc2F)CC1=O 267793003 ZKHJCWDYAPWIAO-SECBINFHSA-N 324.312 -0.234 50 20 DBGD CCc1cccnc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273545899 XYHYUWPVEIGONM-MRVPVSSYSA-N 314.367 -0.657 50 20 DBGD COc1ccnc(NNC(=O)[C@@H](c2cncn2C)N(C)C)n1 280718565 HENMVLBVAHMULR-LLVKDONJSA-N 305.342 -0.035 50 20 DBGD CC(=O)NNC(=O)C[C@@H](CC(C)(C)C)C(=O)NNC(C)=O 289210828 WLHQMEGKAZYACA-JTQLQIEISA-N 300.359 -0.237 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C(N)=O)nc2)O1 292695678 KOJRQAYBTGTNQH-XVKPBYJWSA-N 307.310 -0.099 50 20 DBGD Cc1ncc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(N)n1 494554981 NJBRBEKNRZTLII-UHFFFAOYSA-N 324.341 -0.347 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)[C@H]1OC 584976582 RRSZTSXAOYEBQO-JHJVBQTASA-N 311.118 -0.572 50 20 DBGD O=S1(=O)CC[C@@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)C1 585049402 PGBZPMBIYJXLJN-VIFPVBQESA-N 322.151 -0.606 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2nccn2c1 728460038 GQNWADPSMQSZAO-JTQLQIEISA-N 322.346 -0.470 50 20 DBGD CCOCC(=O)NNC(=O)NCc1nnnn1-c1ccccc1 731283197 CVDZNCGHHJZCPW-UHFFFAOYSA-N 319.325 -0.471 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2ccc(O)cc2)cn1 735521543 GKIBYZROZCXYLV-UHFFFAOYSA-N 317.305 -0.683 50 20 DBGD CCc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)n[nH]1 739019858 OGBHSGSDIRBLQZ-UHFFFAOYSA-N 308.342 -0.575 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1 746640687 IDVFCNPFTDIPTF-JTQLQIEISA-N 317.349 -0.061 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCn3cnnc3C2)c1 746666369 OYMFINWNSDIIAF-UHFFFAOYSA-N 314.349 -0.137 50 20 DBGD COc1cc(C)nc(NNC(=O)NCCCS(C)(=O)=O)n1 746764701 HSDOPVIGVWBJSB-UHFFFAOYSA-N 317.371 -0.146 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 751567040 NRVJZCUFUOLLEO-UHFFFAOYSA-N 324.362 -0.593 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)Cn1ccc2ccccc21 751580512 UZBAARUPIGPVHC-UHFFFAOYSA-N 324.362 -0.662 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 761145393 QGJRRYXZRKMIOU-UHFFFAOYSA-N 318.337 -0.123 50 20 DBGD CC(C)(C)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)[nH]n1 768280303 YHZUCOWVQYKCBD-UHFFFAOYSA-N 302.356 -0.487 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnn(C)c1Cl 814834874 ACEITMNEKIHOOG-ZCFIWIBFSA-N 307.763 -0.539 50 20 DBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cnn[nH]1 817052864 SZHCYSLUVPSTKF-UHFFFAOYSA-N 310.339 -0.188 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)CC1CC1)n1cccn1 819114319 FMWFMVXJLCANMQ-JTQLQIEISA-N 307.354 -0.150 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNc1ccc(C)nn1 821154244 MROMLYUVLISBCI-RKDXNWHRSA-N 315.355 -0.777 50 20 DBGD COCCN(C)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 822843416 MNASJKPOTVROME-JGVFFNPUSA-N 318.317 -0.181 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)C(=O)NC1CC1 823273814 ZJWDAWJTLZRZEO-UHFFFAOYSA-N 305.323 -0.343 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CNC(=O)c1cccs1 825274544 VQFUZMNMVGTFIX-QMMMGPOBSA-N 315.351 -0.713 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CC1)C1CCN(c2ncccn2)CC1 826121997 WREWJMRVXMSMSV-GFCCVEGCSA-N 319.365 -0.389 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)nc1 827877339 RQDCMJGUGXNDNI-UHFFFAOYSA-N 305.338 -0.157 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccn(CC(=O)OCC)n1 847247570 DXMTWMCKTFVWTR-UHFFFAOYSA-N 313.314 -0.365 50 20 DBGD COC[C@H](OC)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 850196557 ZKOPAHFADPLIGH-LBPRGKRZSA-N 324.333 -0.039 50 20 DBGD COCCCOCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 854516884 SWCOXKPGIFGBQT-LBPRGKRZSA-N 322.427 -0.078 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H](C)N1CCN(C)CC1)C1CC1 855100922 LQLVRUIHPRLUFE-QWRGUYRKSA-N 313.471 -0.084 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)C2(n3cnnn3)CC2)n1 857154682 YCSVDPRCUVDVFF-UHFFFAOYSA-N 317.357 -0.058 50 20 DBGD CC1(C)C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C(C)(C)O1 858349843 APSLUYWFKQFGSR-BDAKNGLRSA-N 312.370 -0.059 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCc3ccc(O)cc3C2)N1 858695430 XDYZSGOZMRZVOD-LBPRGKRZSA-N 318.333 -0.230 50 20 DBGD Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696514 MOEXROKFKQYDQX-NWDGAFQWSA-N 320.349 -0.363 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 858697577 UDTDXXDOMKQTSF-DTWKUNHWSA-N 310.310 -0.424 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2sccc2-n2ccnn2)N1 862461412 OZACEOKMXMBOKC-SSDOTTSWSA-N 320.334 -0.632 50 20 DBGD C[C@@H](NC(=S)NNC(=O)c1ccc(B(O)O)cc1)C1CC1 863887095 TYNFUGBVEINVPI-MRVPVSSYSA-N 307.184 -0.726 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H]1OCCN(C)C1=O)C1CC1 912162883 ZKMXBMKQCOBYOD-IONNQARKSA-N 300.384 -0.863 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)CC2 913733139 XBAMVEKCCFZPJN-NSHDSACASA-N 319.365 -0.476 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1 931247375 KEIDMOYOXBJIFZ-HNNXBMFYSA-N 323.324 -0.197 50 20 DBGD CN(NC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)OC(C)(C)C 1118769928 GJYOFDPCZDBKEY-ZETCQYMHSA-N 300.315 -0.127 50 20 DBGD COC(=O)c1nc2nc(C)cc(N3CC[C@H](B(O)O)C3)n2n1 1118915664 IWTTXNLCGHTIBJ-QMMMGPOBSA-N 305.103 -0.728 50 20 DBGD O=C(NCCc1cccnc1)NNC(=O)C(=O)N1CCCC1 1318081989 MDPZJXGZAIQQRN-UHFFFAOYSA-N 305.338 -0.423 50 20 DBGD C[C@@H](O[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(=O)O 1325793745 PEVBZUCFSHIDSZ-HTQZYQBOSA-N 324.337 -0.072 50 20 DBGD Nc1ncnc2c1ncn2CCC(=O)NNC(=O)NC1CC1 1327863490 OUBMSXAWSUZFSO-UHFFFAOYSA-N 304.314 -0.709 50 20 DBGD CCOC(=O)C[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 1329185338 YAIKEEBBQJDONE-CYBMUJFWSA-N 305.139 -0.076 50 20 DBGD COC(=O)c1cc(NNC(=O)CN2C(=O)CNC2=O)ccc1C 1329572392 BIZJADQFXVOFAW-UHFFFAOYSA-N 320.305 -0.223 50 20 DBGD Cc1cc(C(=O)NNC(=O)C2CCS(=O)(=O)CC2)n[nH]1 1336229469 UOXCEEAWTBBELT-UHFFFAOYSA-N 300.340 -0.696 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1-n1cnnc1 1349455516 MANYBUQVZGUBPR-BDAKNGLRSA-N 319.325 -0.813 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588800943 AJFJGJKQQWLESC-UHFFFAOYSA-N 317.309 -0.894 50 20 DBGD CC[C@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590384423 NICZTVZGRMZLBG-ZDUSSCGKSA-N 304.310 -0.211 50 20 DBGD CO[C@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1591319956 OZNHFYGWVAIGTE-MRVPVSSYSA-N 320.309 -0.572 50 20 DBGD O=C(NCCCN1CCc2ccccc21)NNC(=O)C(=O)O 1601498813 LZDYGFJEDMRBJY-UHFFFAOYSA-N 306.322 -0.146 50 20 DBGD O=C(O)C1(CS(=O)(=O)N2CC[C@H](B(O)O)C2)CCCC1 1601709582 CRTJTTRGYDWVIM-VIFPVBQESA-N 305.161 -0.490 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ncc(-c2nn[nH]n2)cc1C 1609229304 ROFLRXJHFFRORV-UHFFFAOYSA-N 304.314 -0.124 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 49183296 BFODUXZKCDKIAW-UHFFFAOYSA-N 304.303 -0.563 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNc1nc(C)cc(OC)n1 266998196 XMEHZLKUFHBPAR-UHFFFAOYSA-N 317.371 -0.146 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccc1 272511717 URIWYQFZCIMHKT-BXKDBHETSA-N 305.334 -0.277 50 20 DBGD COC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCC1 273044708 TZVGZJPTPHFJSN-UHFFFAOYSA-N 316.321 -0.008 50 20 DBGD CC(C)CC(=O)NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 278974489 NZRONDLTZRWBEU-CQSZACIVSA-N 310.354 -0.100 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1ccc(C#N)cc1 291567040 SGZHCDUIHJFQFM-LBPRGKRZSA-N 318.333 -0.548 50 20 DBGD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)CO)C2)cc1 376874038 FSUCKLNIXUNJFB-CYBMUJFWSA-N 319.361 -0.013 50 20 DBGD COC(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 490946156 BCWCILWRGGXKMJ-UHFFFAOYSA-N 318.380 -0.431 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)C(=O)NC(CC)CC 492149678 JKJYDZXOYDHUIR-UHFFFAOYSA-N 302.331 -0.815 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(c2ncccn2)CC1 584925534 XMHKQILLCOALAH-UHFFFAOYSA-N 312.138 -0.881 50 20 DBGD Cc1cc(C[C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)n[nH]1 584964637 LGAGEZUWAXJYRC-MRVPVSSYSA-N 305.118 -0.102 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584965152 OKNDHYCWJJPYFY-ZWNOBZJWSA-N 322.145 -0.460 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@@H](CNCc2ccccc2B(O)O)O1 585035748 XPWSNVPRSCYCGL-GXTWGEPZSA-N 306.171 -0.908 50 20 DBGD O=C1CCCCN1Cc1nc(-c2cccc(B(O)O)c2)no1 585052888 AFXNNQRZVBEWPZ-UHFFFAOYSA-N 301.111 -0.071 50 20 DBGD CCN1CCO[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585054222 KGHGLDDJCKPZAI-LBPRGKRZSA-N 303.127 -0.190 50 20 DBGD COc1cc(Cl)ccc1C(=O)NNC(=S)NCC(N)=O 727073061 JAAWXRYGPHUHNS-UHFFFAOYSA-N 316.770 -0.057 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](O)C2CC2)cc1 744990572 RPUOYTVUOOWOSM-ZDUSSCGKSA-N 317.301 -0.367 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@@H]1CCCCS1(=O)=O 753272098 LNWSGFSOMFPTDD-VIFPVBQESA-N 307.372 -0.679 50 20 DBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755267792 BRAIOTYYBVGYEC-NSHDSACASA-N 307.354 -0.109 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CS(C)(=O)=O 760442611 MTWMCMUCLLLJDA-UHFFFAOYSA-N 323.371 -0.907 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NCc1nnnn1CC1CC1 771375417 UMRAHWDXCCTHRN-UHFFFAOYSA-N 321.263 -0.134 50 20 DBGD Cc1c(NC(=O)NNC(=O)CN(C)C)cccc1-n1cnnn1 775450441 GWLDEZQBYZNDNO-UHFFFAOYSA-N 318.341 -0.315 50 20 DBGD CNC(=O)Cn1nc(NC(=O)NN=c2cc[nH]cc2)cc1C 782059028 RBQHSXRHNVDJQV-UHFFFAOYSA-N 303.326 -0.097 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@](C)(C#N)CC(=O)O)n1 820972385 IJXZQMKDEHBVEU-ZDUSSCGKSA-N 307.310 -0.348 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cccc(C(=O)O)c1 843046940 ANAHXQHRJSHZLS-SNVBAGLBSA-N 321.289 -0.350 50 20 DBGD O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@H]1CCS(=O)(=O)N1 846044107 HNGFZPIZWQYXDK-MRVPVSSYSA-N 318.286 -0.131 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCc2nnnn2CC1 846093911 JDKQZPKTMIREMO-VIFPVBQESA-N 316.325 -0.705 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCN1C=O 854388689 SNMQSOAEJJXLNH-JTQLQIEISA-N 301.343 -0.456 50 20 DBGD COc1nccnc1NNC(=O)Cc1nnn(C(C)(C)C)n1 854952815 OLXGANSBEWRPFG-UHFFFAOYSA-N 306.330 -0.088 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OC 858486092 MKBCDOIBFLOCNW-VIFPVBQESA-N 300.359 -0.199 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862456602 ZXSNPDKZZUMFDT-ABAIWWIYSA-N 305.334 -0.026 50 20 DBGD Cc1ccc([C@H](C)[C@H](O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862458187 ZKSCBLDRQHFSAK-SUHUHFCYSA-N 319.361 -0.115 50 20 DBGD CC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)nc1C 862461501 PYHWVPDXGOTDTR-LBPRGKRZSA-N 318.333 -0.059 50 20 DBGD C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461942 NGZFCIPYXZDUJQ-WBMJQRKESA-N 319.361 -0.204 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)N2CCOCC2)cn1 865046901 RKQDDAGUIFFLQY-UHFFFAOYSA-N 310.358 -0.869 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CSCC(=O)N1 936035202 BTISLGAMTZKDHJ-JTQLQIEISA-N 323.374 -0.383 50 20 DBGD O=C(CCC(F)(F)F)NNC(=O)[C@H]1CCS(=O)(=O)C1 1252172709 NPDMPPNTKJDOIO-LURJTMIESA-N 302.274 -0.089 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNc1nccc(N2CCOCC2)n1 1253041679 SUKHZPZCSNRSJN-LLVKDONJSA-N 323.353 -0.438 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=S)NC(C)C 1255867883 MVZMSRJRSNSPLK-UHFFFAOYSA-N 303.432 -0.654 50 20 DBGD O=C1C[C@@H](Cc2ccc(C(=O)NNc3nc[nH]n3)cc2)C(=O)N1 1261245894 STKZMMMGRFOLGQ-SNVBAGLBSA-N 314.305 -0.233 50 20 DBGD Cn1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1319172319 WAXVPXVGQOCJRC-SECBINFHSA-N 300.340 -0.844 50 20 DBGD COCCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1319959571 IJSKUXBTMLTLRU-UHFFFAOYSA-N 306.322 -0.016 50 20 DBGD O=C(CO[C@H]1CCOC1)NNC(=O)Cc1cn2ccccc2n1 1322303712 HRFVKYCCLIDMAR-LBPRGKRZSA-N 318.333 -0.170 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc2c1COC2=O 1323512237 AQTHBMRAQKITNJ-UHFFFAOYSA-N 321.289 -0.521 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCn3ccnc3C2)nn1 1325194032 OCUJDCCENNRLCO-QMMMGPOBSA-N 301.310 -0.522 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)N3CCOCC3)nn12 1337965874 CJHMWPOBWRLDGR-UHFFFAOYSA-N 305.298 -0.881 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)N1CCc2ccccc21 1339820404 YGOIVNUBQKPRKH-JTQLQIEISA-N 320.349 -0.059 50 20 DBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1589218730 CPOBTPIEKXGXAS-JVXZTZIISA-N 318.351 -0.931 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1sccc1C(=O)O 1776042187 SCFDHUVHZOTTSB-LURJTMIESA-N 319.364 -0.166 50 20 DBGD C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787450219 NRSRMSHGVQUIRW-NMUGVGKYSA-N 322.764 -0.119 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)S(C)(=O)=O 46119754 WEUICDKXMOVDDV-UHFFFAOYSA-N 319.770 -0.008 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)[nH]c2=O)n1 77309576 NUTUEHVYOOKHMS-UHFFFAOYSA-N 303.322 -0.042 50 20 DBGD Cc1cn2c(=O)c(C(=O)NNC(=O)CN(C)C)cnc2s1 89439588 KJGNFZIGPZEMEG-UHFFFAOYSA-N 309.351 -0.613 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2sccc2-n2cnnn2)[nH]n1 153895629 CCTPLEBMCPLYRO-UHFFFAOYSA-N 318.322 -0.170 50 20 DBGD COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cnn(C)c1 265580991 PPOYPXKJRFBKAC-JTQLQIEISA-N 311.342 -0.048 50 20 DBGD COCCCNC(=O)NNC(=O)CSc1nc(C)n[nH]1 266889672 WBNOHHBXCOYXME-UHFFFAOYSA-N 302.360 -0.428 50 20 DBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)CO)cc1 376749229 GEGFJKIPTNGHSK-GFCCVEGCSA-N 321.333 -0.561 50 20 DBGD CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NN(C)C(=O)OC)C1 495869532 PNJQSMWHMVZHBU-SECBINFHSA-N 323.371 -0.291 50 20 DBGD O=C(NC[C@]1(CCO)CCOC1)c1ccc(B(O)O)c(F)c1 584959466 HGDWMTSEGNLWQF-AWEZNQCLSA-N 311.118 -0.976 50 20 DBGD NC(=O)NCCCCc1nc(-c2cccc(B(O)O)c2)no1 585054083 RQWCBKHZQRBISX-UHFFFAOYSA-N 304.115 -0.593 50 20 DBGD CN1CCN(c2ncc(CN3CC[C@H](B(O)O)C3)cn2)CC1 585077403 TUQNWZPQAIGTEM-ZDUSSCGKSA-N 305.191 -0.723 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CCCCCNC(N)=O)n1 726099381 AHWHIQSITNPHEM-UHFFFAOYSA-N 324.385 -0.124 50 20 DBGD Cc1nc(C(=O)NNC(=O)CN(C)C)nn1-c1ccccc1 733359931 WLZXBSZSTWCXQH-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccccc2-n2cnnn2)cn1 735445408 STIRKSIZQFOHDS-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 740809923 KWWHUTIQMZBBBH-UHFFFAOYSA-N 324.362 -0.299 50 20 DBGD CC1(OCC(=O)NNC(=O)CNC(=O)c2cccnc2)CCC1 746301274 KSYDYYDDKLJTSL-UHFFFAOYSA-N 320.349 -0.082 50 20 DBGD O=Cc1ccc(OCC(=O)NNC(=O)Cc2cc[nH]n2)cc1 755277004 OYEKXMIDGNNXCO-UHFFFAOYSA-N 302.290 -0.009 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(C)[nH]n1 763121207 ZCLVEMNBKIOUSP-UHFFFAOYSA-N 317.371 -0.801 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)C(=O)NCC(F)F 767898763 COCGJIZFAITUSP-UHFFFAOYSA-N 303.240 -0.103 50 20 DBGD CCC[C@](C)(O)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 770885766 YEQNWMFMWQICPI-KWQFWETISA-N 307.372 -0.945 50 20 DBGD CNC(=O)[C@@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CCO1 782098851 OXVIFMIBBPJFNO-QWRGUYRKSA-N 314.386 -0.985 50 20 DBGD C[C@H](C(=O)NNC(=O)NCC(F)(F)F)N1C(=O)CCC1=O 798314874 DWVIWTSVXIWZKV-RXMQYKEDSA-N 310.232 -0.583 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)C(=O)N1CCCC1 798940188 CZGWDRRDERVWLW-JTQLQIEISA-N 319.365 -0.390 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cncc(-n2ccnn2)c1 802035698 JTFARMRERXKBPY-UHFFFAOYSA-N 324.304 -0.054 50 20 DBGD CCN(CCO)NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 823864692 AJAYCECLOQTXRL-UHFFFAOYSA-N 319.358 -0.307 50 20 DBGD O=C(COc1ccc(F)c(F)c1)NNC(=O)[C@@H]1CCC(=O)N1 827017193 YNOKHCRNTDTFHU-JTQLQIEISA-N 313.260 -0.230 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNC(=O)O)c1 830466304 WFFVUMCTVKEXSU-UHFFFAOYSA-N 309.278 -0.433 50 20 DBGD CO[C@@H](CN)CC(=O)NNc1ccccc1S(C)(=O)=O 843437426 XAYKDRJTMQTXLU-SECBINFHSA-N 301.368 -0.103 50 20 DBGD O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NNC(=O)C1CC1 845077780 YMQIIDPTVGPDLE-LBPRGKRZSA-N 323.324 -0.597 50 20 DBGD CC1=C(C(=O)NNC(=O)c2ccc[nH]2)[C@H](C)n2nnnc2N1C 847297567 LDHDRYFBQAYRSR-QMMMGPOBSA-N 316.325 -0.253 50 20 DBGD CNC(=S)N(C)NC(=O)CSc1nnnn1C1CC1 854926537 BQSNFZXMSVJEMD-UHFFFAOYSA-N 301.401 -0.433 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CN2CC(=O)N(C)C2=O)cc1 858142521 DGZMNVNJWHAYHR-UHFFFAOYSA-N 318.333 -0.096 50 20 DBGD CN1C(=O)COc2ccc(C(=O)NNC(=O)C(C)(C)O)cc21 861205964 OIBCVPXCFTZPDD-UHFFFAOYSA-N 307.306 -0.426 50 20 DBGD COCCOc1cncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862463048 XFHGWZCXBVKETP-NSHDSACASA-N 322.321 -0.854 50 20 DBGD Cc1cc(=NNC(=O)CCN2C(=O)CCNC2=S)cc[nH]1 862514266 WDMFKHCIWUZTFU-UHFFFAOYSA-N 307.379 -0.248 50 20 DBGD COCCC1(C(=O)NNC(=O)CS(C)(=O)=O)CCCC1 863462410 OXSFRCXDXDTPKB-UHFFFAOYSA-N 306.384 -0.225 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1cccnc1Cl 863467460 XWUVUGQFOPJJJA-UHFFFAOYSA-N 319.770 -0.140 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)Sc1nnnn1C1CC1 910168572 OVRJMQDCBTZIRE-JGVFFNPUSA-N 300.388 -0.168 50 20 DBGD CN(C)N(C(=O)CN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 915141718 VVHXVJJPOWVMHG-NSHDSACASA-N 317.411 -0.509 50 20 DBGD Cc1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)no1 1115889809 AHGFAUZTRNVLEO-NSHDSACASA-N 302.356 -0.136 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(C)=O 1261745517 LFNMDKDLJQKLKL-GMTAPVOTSA-N 314.338 -0.283 50 20 DBGD O=C(NNC(=O)c1cc2c(cn1)OCCC2)C(=O)NC1CC1 1325173110 YPLBKCULXOVWGI-UHFFFAOYSA-N 304.306 -0.554 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCOC(=O)N2)cc1 1328770758 JKYBSQMESOSXJW-JTQLQIEISA-N 320.305 -0.421 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCOC2CCCC2)N1 1329159945 VNIRUKRHHJMNSJ-LLVKDONJSA-N 312.370 -0.055 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(=O)NC)c1 1338707126 BXSYEXXJYIFGJM-UHFFFAOYSA-N 321.337 -0.323 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NN(C)C[C@H](C)O)cc1 1339538637 FGUCGEISWDXAEH-JTQLQIEISA-N 315.395 -0.519 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(C)n2)C1 1347929053 QQGQAZLKDQLJQH-LLVKDONJSA-N 305.338 -0.045 50 20 DBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1349432138 FHRZSANEIFBRQV-NXEZZACHSA-N 308.338 -0.208 50 20 DBGD COc1ccnc(NNC(=O)NC[C@@H](C)N2CCN(C)CC2)n1 1352232584 VYOBBBIGABDSLX-LLVKDONJSA-N 323.401 -0.253 50 20 DBGD CS(=O)(=O)CCC=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549903666 BVHKMHCVJBIJHC-QWRGUYRKSA-N 303.384 -0.614 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nncn2CC1)C1CCNCC1 1580736215 OQPAXPQTWRUWNV-JTQLQIEISA-N 306.370 -0.622 50 20 DBGD C[C@@H](C(=O)NNc1ccc(F)cn1)n1cnc(-c2nn[nH]n2)n1 1589000338 YSVKFZFAVAAUAA-LURJTMIESA-N 318.276 -0.303 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CC(C(=O)O)=NO1)C1CC1 1589121377 KDJWSLOLODVFOX-XRGYYRRGSA-N 300.340 -0.490 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)COc1ccc(C)c(C)c1 1593908251 GIPZSYQTJUARIS-GFCCVEGCSA-N 310.306 -0.071 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C[C@H]1CCCO1)C(=O)O 1594712532 QMTBZPUGMPMGHC-IVZWLZJFSA-N 301.343 -0.456 50 20 DBGD O=C(O)C[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 1594984602 OEBAALFFXDIITR-SNVBAGLBSA-N 309.102 -0.025 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H](O)C[C@@H]2C(=O)O)c1 1600511939 LAAAFKXXPUWOPI-VXGBXAGGSA-N 321.333 -0.724 50 20 DBGD Cn1cc(NC(=O)c2cc(B(O)O)ccc2F)cc1C(=O)O 1600966060 ITRGGNNWCWNYHU-UHFFFAOYSA-N 306.058 -0.206 50 20 DBGD N#Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1610627436 ZJJVOXJOOLDQDU-UHFFFAOYSA-N 310.653 -0.618 50 20 DBGD COc1cc(F)cc(NNC(=O)C(=O)NCC(=O)N(C)C)c1 275946259 QBJFIXOTZZTWPS-UHFFFAOYSA-N 312.301 -0.518 50 20 DBGD COc1ccc(NNC(=O)NCCN2C(=O)CNC2=O)nc1 276013541 UFOHMYMRYYBNNK-UHFFFAOYSA-N 308.298 -0.732 50 20 DBGD CCOC(=O)c1cn[nH]c1S(=O)(=O)NN(C)C(=O)OC 288922347 LZRLCWYWRUHSTO-UHFFFAOYSA-N 306.300 -0.522 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2ccccc2O)CC1=O 298412701 ZXVSTGMTGIIXFG-SNVBAGLBSA-N 321.333 -0.352 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(OC)c(S(N)(=O)=O)s1 495825697 SPPSMQUPPWVURP-UHFFFAOYSA-N 323.352 -0.253 50 20 DBGD CCO[C@@H]1C[C@](O)(CNC(=O)c2cccc(B(O)O)c2)C1(C)C 584980286 VOIDPJZIJCMALX-CJNGLKHVSA-N 321.182 -0.338 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CBr 696853180 JPWNBMLRSVCHTR-RITPCOANSA-N 322.202 -0.930 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCCS(C)(=O)=O 731500109 BMOCUBIWYKQLHI-UHFFFAOYSA-N 315.351 -0.316 50 20 DBGD C#CCSCCNC(=O)NNC(=O)CNC(=O)c1ccco1 740043917 NENGPMQOKDJWOE-UHFFFAOYSA-N 324.362 -0.294 50 20 DBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)C(=O)N1CCCC1 748245910 UCHBKWDQHFNUME-MNOVXSKESA-N 313.354 -0.660 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(C(=O)OCC)o1 748640698 BAVSVSMVBGBSML-UHFFFAOYSA-N 305.312 -0.031 50 20 DBGD CS(=O)(=O)CCN(CC(=O)NNC(=O)C1CC1)C1CC1 753245839 FNCGYDVYIVFIQB-UHFFFAOYSA-N 303.384 -0.947 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[S@@](=O)C1 763876875 IMLUWAJYHKYDPE-CFMSYZGJSA-N 303.428 -0.120 50 20 DBGD COc1cccc([C@H](O)C(=O)NNC(=O)C(=O)NC(C)C)c1 764632660 NADPDIAWTNVWDD-NSHDSACASA-N 309.322 -0.599 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C(C)=O 772211127 FHHPXTMWOXQROR-GXSJLCMTSA-N 313.354 -0.124 50 20 DBGD CN1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1=O 772511820 NCXNKKPRWUQSAP-NSHDSACASA-N 319.317 -0.531 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 776341114 PSZKIKVHSMVZEB-KXUCPTDWSA-N 303.384 -0.060 50 20 DBGD Cc1cnc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1 779757043 WOXJGRUJNWYYET-JTQLQIEISA-N 311.363 -0.106 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN(C)C(=O)O)c1 830464960 FSWBBHWQVFENDT-UHFFFAOYSA-N 323.305 -0.091 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(O)n1 832675076 KSOIGNZKMYPCAV-DTWKUNHWSA-N 322.321 -0.393 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 840241994 PYDFMGXZASZUBV-NXEZZACHSA-N 306.278 -0.254 50 20 DBGD C[C@@H](CN)CNC(=O)NNC(=O)COc1ccc(C#N)cc1 841963931 XOGUSIOAJVIMOL-JTQLQIEISA-N 305.338 -0.138 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(OCC(N)=O)c1 843645636 NNPOYEVVNGOPBX-CABZTGNLSA-N 321.333 -0.263 50 20 DBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)Cn1nc(C)cc1C 845087185 SEAGOEXWOXWINJ-UHFFFAOYSA-N 309.370 -0.190 50 20 DBGD CCC(CC)(CO)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 847384424 PUZPTKKGQVFURJ-VIFPVBQESA-N 321.399 -0.697 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)N1CCC(OC)CC1 849307480 VPABYCDLWIQGGO-UHFFFAOYSA-N 324.403 -0.818 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ncc(Cl)cn2)C1=O 856917684 OUKSMCYLKMCFFC-SSDOTTSWSA-N 312.717 -0.097 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCSC2)N1 858459070 QDKBAOSQUUEUJJ-IUCAKERBSA-N 300.384 -0.261 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 861576519 HARSKVRQIRSWBE-ZJUUUORDSA-N 315.370 -0.162 50 20 DBGD O=C(NC[C@H]1CCCN1CC(F)F)c1ccc(B(O)O)cc1 863887726 SQRBPZKAQCPAQX-GFCCVEGCSA-N 312.125 -0.174 50 20 DBGD CC(=O)N1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)Oc2ccccc21 864232566 AGNHOGQMOYLAGU-RISCZKNCSA-N 318.138 -0.124 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)[C@@H]2OCCN(C)C2=O)cc1 911878000 SSMAXJWXYOENTH-ZDUSSCGKSA-N 321.333 -0.298 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)o1 1116052134 SUJLYSXWZKPBDA-UHFFFAOYSA-N 317.323 -0.630 50 20 DBGD CCCNC(=O)[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1 1121899254 CCEUKAIVHPSWDE-SNVBAGLBSA-N 307.354 -0.131 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2cn(C)c(Cl)n2)cn1 1322725061 CDNNREFLPRYERN-UHFFFAOYSA-N 318.746 -0.570 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCSCC1 1322771090 JFSQVXZZEVPVRR-VIFPVBQESA-N 306.409 -0.288 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)Nc1ccccn1 1323813473 KHNWPSWPPIDMEP-OPRDCNLKSA-N 304.306 -0.265 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)CC1CC1 1324617643 VEOZTFMAQOGLIU-UHFFFAOYSA-N 303.322 -0.179 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 1344535933 VEINLBSFDBRJJG-VIFPVBQESA-N 307.354 -0.803 50 20 DBGD COCCN(CCC(=O)O)CC(=O)NNC(=O)c1ccccc1 1574156974 ZUVRCWPXFXPUMP-UHFFFAOYSA-N 323.349 -0.129 50 20 DBGD C[C@](N)(C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1 1576086713 YYCKTWDZDLBOPR-OAHLLOKOSA-N 304.350 -0.370 50 20 DBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1589219319 MFWVLTXXKAQPIJ-CQSZACIVSA-N 320.305 -0.332 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCS(=O)(=O)C1 49034570 TXUIHVSYZFFBJB-YFKPBYRVSA-N 303.262 -0.544 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H]2CO)c1 165501753 AWBCNZUGZUKZBU-ZDUSSCGKSA-N 302.334 -0.224 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccncc2)CC1=O 298330962 FJQWXKOWZYGXGM-NSHDSACASA-N 306.322 -0.663 50 20 DBGD O=C(CN1CCCCCCC1=O)NNC(=O)C(=O)N1CCCC1 299470754 GSVFNKAZNBOMJN-UHFFFAOYSA-N 324.381 -0.451 50 20 DBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNc2nc[nH]n2)c1 491694608 GJCSKKGBLZRBIB-UHFFFAOYSA-N 320.334 -0.527 50 20 DBGD CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NNC(=O)CO 496395850 BDTILGBMXKVLPM-ZETCQYMHSA-N 305.356 -0.564 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(C[C@@H]2CCOC2)CC1 584961318 QILGAOMCLXVMNL-ZDUSSCGKSA-N 318.182 -0.839 50 20 DBGD C[C@@]1(C(=O)N2CC[C@H](B(O)O)C2)Oc2ccccc2NC1=O 585065828 GWLZSDYJCVGHOR-LKFCYVNXSA-N 304.111 -0.149 50 20 DBGD O=C(CCn1cncn1)NNC(=O)CNC(=O)c1cccs1 725741547 PWSHREWFZNKMAG-UHFFFAOYSA-N 322.350 -0.693 50 20 DBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1ccc[nH]1 746973067 SCWXKJXITUFHHP-UHFFFAOYSA-N 317.371 -0.714 50 20 DBGD COCCCNC(=O)NNC(=O)c1cnc2c(cnn2C)c1 747366919 NSRNTPHCBVAAHR-UHFFFAOYSA-N 306.326 -0.051 50 20 DBGD COCCO[C@H](C)C(=O)NN[C@@H](C(N)=O)c1ccc(C#N)cc1 748265462 GEQMDRWXWXJKNC-ZWNOBZJWSA-N 320.349 -0.243 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 752516814 UUGRWFPOLDJIIO-UHFFFAOYSA-N 318.330 -0.302 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 761796623 ZKMGXRLTMCTOGF-HBNTYKKESA-N 310.354 -0.447 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C[C@H](OC)C2 764300708 WDYWEFUVPCAMDV-GFCCVEGCSA-N 321.333 -0.468 50 20 DBGD Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NNC(=O)CO 764422414 YSXOBEGSGQZXOF-UHFFFAOYSA-N 309.322 -0.140 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)[C@@H]1CN(C)CCO1 770115774 BOVSYNHYWJOXLF-YPMHNXCESA-N 321.381 -0.326 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCN(C)C2=O)cc1 776108660 UIKAFJNJCHIMEU-LBPRGKRZSA-N 320.349 -0.267 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1nc2ccccc2s1 782812205 JAIMOZZUPWKUGZ-UHFFFAOYSA-N 321.362 -0.056 50 20 DBGD CN1CCC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1=O 790418591 WUOQJOUHUWCGFB-SECBINFHSA-N 303.326 -0.024 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cc([C@@H](C)O)nn2)n1 794073069 VVAGXKOQWYFGGG-SECBINFHSA-N 304.310 -0.504 50 20 DBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccoc1 795311711 JZRUMPYMVCWUPN-UHFFFAOYSA-N 313.291 -0.388 50 20 DBGD COC(=O)c1ccc(NNC(=O)CCn2cnccc2=O)nc1 815878844 WFMOCNWJFBBHJG-UHFFFAOYSA-N 317.305 -0.042 50 20 DBGD O=C(NNS(=O)(=O)CCOCC1CC1)[C@H]1CCCCO1 818054832 UIFZBAPUPNASGD-LLVKDONJSA-N 306.384 -0.067 50 20 DBGD CN(CCC(=O)O)CC(=O)NNC(=O)c1ccc(C#N)cc1 818463020 JTSFQQASWLSORE-UHFFFAOYSA-N 304.306 -0.274 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1 830052737 PDGZTZKWNAYNID-UKRRQHHQSA-N 313.398 -0.301 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 841399902 OHEJEOUBMFGWRP-PRHODGIISA-N 317.305 -0.479 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(C#N)nc1 842593361 USLWKLMJMTVPAK-GZMMTYOYSA-N 310.335 -0.312 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 843645119 FCLBFIUAYKSTRT-VHSXEESVSA-N 316.321 -0.152 50 20 DBGD C[C@H](CC(=O)NNC(=O)CO)n1cc(Br)cn1 844136930 JRKBNWIVOPLJEB-ZCFIWIBFSA-N 305.132 -0.264 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cccc(=O)n1C 854283513 YTQPUTKQSOEEPL-UHFFFAOYSA-N 312.395 -0.127 50 20 DBGD Cc1cc(C)nc(SCC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862448609 FQROCPSGRAGTLC-SECBINFHSA-N 323.378 -0.388 50 20 DBGD C[C@@H](Sc1ccccn1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862456085 MCVUPUCWFXXHGP-RKDXNWHRSA-N 308.363 -0.012 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCN2C2CCCC2)N1 862457327 GWGQEDHYVGAQLD-NWDGAFQWSA-N 308.382 -0.181 50 20 DBGD CO[C@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863459912 JEKSCOUYOHVICR-NSHDSACASA-N 300.336 -0.434 50 20 DBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 920240580 XWBKEOQFDGKAOY-SNVBAGLBSA-N 320.415 -0.213 50 20 DBGD CCNC(=O)c1ccc(CNC(=O)NNC(=O)C(=O)OC)cc1 1116181811 JBSFNSPLWSXYFL-UHFFFAOYSA-N 322.321 -0.560 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)CNc1ccc(C)cc1 1251586214 RKUXWICUAAXLAS-UHFFFAOYSA-N 322.365 -0.293 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CN2C(=O)CCC2=O)cc1 1317700587 PNNRAYAMNCHCRE-UHFFFAOYSA-N 319.317 -0.330 50 20 DBGD CC(C)n1nccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319321806 KTPOXUICEGOSPY-SECBINFHSA-N 314.367 -0.340 50 20 DBGD CCn1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1326364459 QNFRCQMZZCIBPF-MRVPVSSYSA-N 300.340 -0.901 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CO[C@H]1CCOC1 1328624390 IDPVHIKWEQHHAU-JTQLQIEISA-N 305.400 -0.334 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(C(C)(F)F)CC1 1329568857 ASYJVUZQKZXJLD-LURJTMIESA-N 313.326 -0.493 50 20 DBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)C1CCOCC1 1333160340 DRDLJKUVLFEHBG-NSHDSACASA-N 314.386 -0.536 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 1337974624 NBLQJGUIVFWNLH-UHFFFAOYSA-N 320.227 -0.167 50 20 DBGD N#CCCC[C@@H](N)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1580049244 LOFMOMVHKAUSEB-MFKMUULPSA-N 318.333 -0.005 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)C1CCOCC1 1592561524 HFMSLCATYDKQLC-UHFFFAOYSA-N 319.325 -0.607 50 20 DBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1608770812 YONZAOUXLBKAJM-DJLDLDEBSA-N 312.326 -0.761 50 20 DBGD O=S(=O)(CCl)NCCNc1ncccc1-c1nn[nH]n1 1609592644 ZUEYIJYOVFRQEU-UHFFFAOYSA-N 317.762 -0.211 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 48962133 MBAYRYFBODHUMP-UHFFFAOYSA-N 304.284 -0.274 50 20 DBGD CCCNC(=O)NNC(=O)c1csc(S(N)(=O)=O)c1 49298384 HXQYZEYNMZBWFZ-UHFFFAOYSA-N 306.369 -0.251 50 20 DBGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NN(C)C(N)=O 181087423 ZPLWPRADRXQAMH-NSHDSACASA-N 321.316 -0.054 50 20 DBGD CNC(=O)[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)CCO1 272768689 LZHCSVLHYIPMLP-NSHDSACASA-N 306.322 -0.512 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cn1 293740631 PBCLXAQCICHUGO-WPRPVWTQSA-N 322.321 -0.256 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 294729356 NFSVXXGFRIJIKW-QMMMGPOBSA-N 300.315 -0.225 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNC(=O)c1cnn(C)c1)C(C)C 491509814 UOMSBLKPSQDFJD-JTQLQIEISA-N 311.342 -0.048 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 495691889 DTEWBPPQEGJFLF-SECBINFHSA-N 307.372 -0.224 50 20 DBGD O=C(NCCCOCC1CCOCC1)c1ccc(B(O)O)cc1 584951513 RPTFTVRAYJJVLS-UHFFFAOYSA-N 321.182 -0.071 50 20 DBGD CC(C)[C@@H](NC(=O)c1cccc(B(O)O)c1)c1nncn1C 584988055 BWAJZDMYZZBJAU-GFCCVEGCSA-N 302.143 -0.378 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)CN1CCO 585000051 IWMXGDLSPJSOSH-GHMZBOCLSA-N 324.161 -0.967 50 20 DBGD CC(=O)N1CC(OCc2nc(-c3ccc(B(O)O)cc3)no2)C1 585052174 UFYMVEZYTXLGKS-UHFFFAOYSA-N 317.110 -0.836 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)c2c(C)nc3ccccn23)CC1 729966861 VLDDLDFLEZNEGL-UHFFFAOYSA-N 315.333 -0.070 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)CCc1ccccc1O 757759960 CLEVVZTUQWLNLR-UHFFFAOYSA-N 304.310 -0.272 50 20 DBGD COc1cccc([C@@H](O)C(=O)NNC(=O)c2cnn(C)c2)c1 765052244 UZCDIZUBDOFYAB-GFCCVEGCSA-N 304.306 -0.077 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1NC(=O)O[C@H]1C 786075242 VELGKZRJLCUXOI-NRPADANISA-N 315.326 -0.392 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CCn2cc[nH]c(=O)c2=O)n1 794090068 OKPLYRGRKVHMHT-UHFFFAOYSA-N 317.305 -0.909 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 798305323 NBZQFCRXYRXINU-SECBINFHSA-N 320.440 -0.518 50 20 DBGD O=C(CN1CCCNCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 843345044 NUTPIJAFJCZJTI-UHFFFAOYSA-N 321.337 -0.349 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccc(C(N)=O)cc1 843644753 DHHMSGCZKJCFKA-CABZTGNLSA-N 321.333 -0.263 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CCNC2)cc1C 851672395 IZDZVSFTZASFFC-LBPRGKRZSA-N 319.365 -0.066 50 20 DBGD CCC[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)S(N)(=O)=O 854377027 FWIQAANGARXFLU-SECBINFHSA-N 315.355 -0.887 50 20 DBGD CCOC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858386764 URVXQJKSJIGVAI-ZJUUUORDSA-N 300.359 -0.344 50 20 DBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)NC(=O)C1CCCC1 862451877 AWMRUJXAZKFXCJ-MWLCHTKSSA-N 324.381 -0.503 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cn[nH]c1 862473438 QVHIJNVVNPJNDT-JTQLQIEISA-N 305.338 -0.181 50 20 DBGD O=C(CN1CCOCC1=O)NNCC(F)(F)C(F)(F)F 863100580 XWCXKCZJBXBXEX-UHFFFAOYSA-N 305.203 -0.336 50 20 DBGD COC(=O)[C@@](C)(NC(=O)c1cc(B(O)O)ccc1F)C1CC1 863872369 FMOFEVXUBQPAPU-AWEZNQCLSA-N 309.102 -0.423 50 20 DBGD O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)[C@H]1CCC(=O)N1 913416525 HZUGJKGVGDEWSC-ZCFIWIBFSA-N 319.243 -0.672 50 20 DBGD CN(C)N(C(=O)CN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 915141713 VVHXVJJPOWVMHG-LLVKDONJSA-N 317.411 -0.509 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)CC(F)(F)F 918367326 RRHOPSNPUUUPBW-UHFFFAOYSA-N 306.262 -0.853 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1 920432878 IMGRAHPWEGLTIT-NSHDSACASA-N 324.381 -0.595 50 20 DBGD O=C(CNC(=O)c1ccccc1)NNC(=O)CN1CCCC1=O 920824208 AQKCYQAZPWYFRR-UHFFFAOYSA-N 318.333 -0.814 50 20 DBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)C1CCOCC1 923061162 IPNKTGLJBULOAA-UHFFFAOYSA-N 307.354 -0.269 50 20 DBGD NC(=O)c1ccc(CNC(=O)NNC(=O)Cc2cccnc2)o1 1116223569 VYJHKSUEFPKNBS-UHFFFAOYSA-N 317.305 -0.153 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCO[C@H](C#N)C2)n1 1116325312 ADJWYZSDOBEAFB-SNVBAGLBSA-N 323.378 -0.634 50 20 DBGD COCCCOCC(=O)NNc1nc(O)c2cnn(C)c2n1 1116473876 UUTHSNWNEUBDGM-UHFFFAOYSA-N 310.314 -0.435 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 1116603228 BBPJVABJDDTEBF-LURJTMIESA-N 322.277 -0.268 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(-c2nncn2C)c1 1254883178 WNAOSRDUMNNGNN-UHFFFAOYSA-N 316.321 -0.022 50 20 DBGD COc1cc(C=NNC(=O)C(N)=O)ccc1OC(=O)C1CC1 1317671625 LXMNBWZFPMBGTC-UHFFFAOYSA-N 305.290 -0.054 50 20 DBGD COC(=O)C(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 1318966213 QOPQVWNZKXVVLT-UHFFFAOYSA-N 309.234 -0.011 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)NCC(F)(F)F)n1 1321298403 BGPKIDMSWVEAIV-UHFFFAOYSA-N 319.243 -0.053 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 1322105130 VCVWMZDAOUGESV-UHFFFAOYSA-N 320.227 -0.167 50 20 DBGD Cc1nc[nH]c1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1327705232 ATCBWZNPGTZRAT-JTQLQIEISA-N 300.384 -0.247 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)[C@H]1CCCCO1 1328123105 JGOOIFRCJROHSL-SNVBAGLBSA-N 300.359 -0.342 50 20 DBGD CCOCCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1332398091 UXKVRKHXDOFKQZ-UHFFFAOYSA-N 309.326 -0.223 50 20 DBGD CCS(=O)(=O)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 1339191545 HLUYPMUQOQYGHO-UHFFFAOYSA-N 317.411 -0.557 50 20 DBGD Cc1c(C(=O)NNc2ncncc2F)nnn1-c1ccn(C)n1 1343997289 KCVSKCGCPNBOES-UHFFFAOYSA-N 317.288 -0.005 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccnn1C1CNC1 1576903198 HHNVAWUXMFOSKO-SCZZXKLOSA-N 308.342 -0.395 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CN2CCNCC2)c1 1579672571 HVUPCEJRZXVZAH-UHFFFAOYSA-N 320.393 -0.265 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1NCC12CCOCC2 1580573816 PCRQSUVAARKACY-CYBMUJFWSA-N 304.350 -0.460 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 1590001593 YYCSBIDSEFCMQM-NXEZZACHSA-N 320.353 -0.022 50 20 DBGD CO[C@@]1(C(=O)O)CCN(CC(=O)NNC(=O)C(C)(C)C)C1 1599076661 QWJNPYQHGRQSCI-ZDUSSCGKSA-N 301.343 -0.645 50 20 DBGD Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)C(=O)O 1600782779 XWJKLNCLVRSYIN-UHFFFAOYSA-N 310.310 -0.014 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cn1 1600947264 SWNGTPVUKLEAJC-RYWPHHQMSA-N 314.305 -0.138 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cnccc1-c1nn[nH]n1 1606851550 CKUGEWACSJISSE-SNVBAGLBSA-N 317.309 -0.408 50 20 DBGD O=C(O)c1cc2n(n1)CCC[C@@H]2NCc1cccc(B(O)O)c1 1608867323 GFOWSXUVJAZDCJ-LBPRGKRZSA-N 315.138 -0.114 50 20 DBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623810 GCBXGNOENDQVNA-UHFFFAOYSA-N 321.381 -0.524 50 20 DBGD CSCC(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 8346517 PGMNYUCJHAYPFJ-UHFFFAOYSA-N 306.351 -0.150 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)OCC 145070914 SFTKERPLVPRUGT-UHFFFAOYSA-N 319.343 -0.593 50 20 DBGD COc1ccnc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)n1 272544646 YGSMYMCLLKSLOA-XCBNKYQSSA-N 309.326 -0.796 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)CC1(O)CCOCC1 275676988 ZOEVLNSBFQWSGB-UHFFFAOYSA-N 321.377 -0.079 50 20 DBGD CC(C)(C)CC(=O)NCC(=O)NNC(=O)C(=O)N1CCCC1 299527286 YHDOIRJYCOXOBD-UHFFFAOYSA-N 312.370 -0.691 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n1cncn1 494458421 ZQKVJEDTIRCSDV-MRVPVSSYSA-N 312.330 -0.489 50 20 DBGD CC(=O)N1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 584925834 PSZGXJKWQLZTGT-UHFFFAOYSA-N 308.118 -0.754 50 20 DBGD COc1c(CNC(=O)c2ccc(B(O)O)c(F)c2)c(C)nn1C 584933476 HUHMCMSYFXIWEA-UHFFFAOYSA-N 321.117 -0.514 50 20 DBGD COCCN1CC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584945566 ZSDHYQRGIQQQMN-NSHDSACASA-N 324.161 -0.796 50 20 DBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C(N)=O)C1 584975627 WSJKHZUXYFMQEK-PELKAZGASA-N 308.118 -0.769 50 20 DBGD O=C(Nc1ccn(C[C@H]2CCOC2)n1)c1cccc(B(O)O)c1 584991496 ZOHLMSRZUFCVFO-LLVKDONJSA-N 315.138 -0.148 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 584999513 CAHZSOIZEHWEEV-SRVKXCTJSA-N 307.130 -0.262 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccccc2OCC(N)=O)cn1 735445959 LLJKJICBEBPBGD-UHFFFAOYSA-N 317.305 -0.641 50 20 DBGD CNC(=O)NNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 756811718 HGNKAJFLDYMMAG-CQSZACIVSA-N 306.322 -0.646 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)OCC)n(C)c1 760511032 FHMODAADHMLOPM-UHFFFAOYSA-N 318.355 -0.286 50 20 DBGD COc1ccc(C(=O)NNC(=O)COC(=O)CO)cc1OC 765401614 SYKVOIYIERCWSL-UHFFFAOYSA-N 312.278 -1.000 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 768262241 VIRGGMPGWZXLJR-LURJTMIESA-N 311.260 -0.542 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCN(C)C2=O)nc1C 773639468 OKDILUQEKGAGTJ-VIFPVBQESA-N 321.337 -0.117 50 20 DBGD Cn1ccc(CC(=O)NNC(=O)CNC(=O)c2cccs2)n1 782258967 QJTSWARGLYECFM-UHFFFAOYSA-N 321.362 -0.399 50 20 DBGD C[C@H]1CN(C)C(=O)CN1CC(=O)NNC(=O)c1cccs1 782594022 WMABLBKWNHSNML-VIFPVBQESA-N 310.379 -0.328 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@]1(O)CCSC1 804953761 CTLQWDJGSZBOHJ-GFCCVEGCSA-N 306.351 -0.027 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)NC(N)=O)cc(C#N)n1C 809301291 GZRYHIIHRKPMHA-KMKOMSMNSA-N 315.289 -0.150 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCC1 813419753 BDYLCPOVTDQQGI-CABZTGNLSA-N 319.383 -0.945 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(CC(N)=O)CC1 825760897 DKFYNQXHXLSPKY-GXSJLCMTSA-N 312.370 -0.260 50 20 DBGD CCNC(=O)[C@@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(C)C 826863538 ZWUPZSFSBAPPPT-AXFHLTTASA-N 314.386 -0.098 50 20 DBGD CC(C)Cn1cnc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 833494287 LWESBPCHOVJDGW-UHFFFAOYSA-N 319.343 -0.884 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)[C@H]1CCCCO1 836346424 UMUINDGAEJCNBR-GFCCVEGCSA-N 316.402 -0.146 50 20 DBGD CC(C)[C@H](CNC(=O)NNC(=O)[C@H]1COCCO1)C(=O)O 848589681 HSWJRPXNIVOMGF-DTWKUNHWSA-N 303.315 -0.911 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 854926971 RTUZUDKCEAAZEL-CPCISQLKSA-N 302.425 -0.092 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)c1ccc(N2CCOCC2)nc1 855361653 GHXCQCMFZQMHTE-UHFFFAOYSA-N 316.321 -0.284 50 20 DBGD CN1C[C@H](O)C[C@]1(C)C(=O)NNC(=O)Cc1ccccc1F 900639453 XOOSAZQDNVUDMX-IAQYHMDHSA-N 309.341 -0.029 50 20 DBGD CC(C)N1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 929454745 VUWXJSKWBDNMQK-MNOVXSKESA-N 317.411 -0.559 50 20 DBGD CS(=O)(=O)CC1CCN(CC(=O)NNC(=O)C2CC2)CC1 1261224480 LGZPGDJMGLBHOU-UHFFFAOYSA-N 317.411 -0.700 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 1320510129 HBBLBIAWLYORTL-UHFFFAOYSA-N 322.321 -0.563 50 20 DBGD Cc1c(C(=O)NNC(=O)C(C)(C)O)nnn1Cc1ccncc1 1321888756 KULGJZYGJLANRC-UHFFFAOYSA-N 318.337 -0.438 50 20 DBGD O=C(NC[C@H]1CCCSC1)NNC(=O)C(=O)NC1CC1 1323447499 QKKPMPOJOADMSH-MRVPVSSYSA-N 300.384 -0.261 50 20 DBGD Cc1ncc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1C(=O)O 1600744537 ZIUAHQDQSGQDFD-JTQLQIEISA-N 324.293 -0.344 50 20 DBGD Cc1coc(CC(=O)O)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1607921174 JFKZOWCZIOXIOH-ZETCQYMHSA-N 309.278 -0.745 50 20 DBGD Cn1ccnc1[C@@H](NC(=O)NNC(=O)C(=O)O)C(F)(F)F 1608131110 HXPPTKSHZKSQAO-SCSAIBSYSA-N 309.204 -0.562 50 20 DBGD O=C(O)COc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1 1610785940 TTXLUXYFTGCHMS-UHFFFAOYSA-N 323.305 -0.163 50 20 DBGD N=c1nc(N(N)C(=O)c2ccco2)c2cnn(CCO)c2[nH]1 1857776784 LVVWQVKAZUOEFS-UHFFFAOYSA-N 303.282 -0.655 50 20 DBGD CC(=O)Nc1ccc(CC(=O)NNC(=O)C(=O)NC(C)C)cc1 8391653 HVZFOZTTXBVVGA-UHFFFAOYSA-N 320.349 -0.141 50 20 DBGD O=C1CN(CC(=O)NNC(=O)c2ccccc2Cl)CCN1 15479644 AEAOASFVCCJOAR-UHFFFAOYSA-N 310.741 -0.467 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12 16785642 XYKKKEWCMAURAY-MRVPVSSYSA-N 322.346 -0.241 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1cncn1 44576548 KIZKXGFNBWQZAU-BXKDBHETSA-N 317.305 -0.174 50 20 DBGD Cn1cccc1/C=C(\C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 70703292 ASOUPQMBEIVEEI-VQHVLOKHSA-N 313.317 -0.205 50 20 DBGD O=C(CC[C@@H]1CCCO1)NNC(=O)CNC(=O)c1cccnc1 268833188 LQBKXSYJJPLADR-LBPRGKRZSA-N 320.349 -0.082 50 20 DBGD CCc1ccnc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 271715208 WNKUYZAHMNOJEW-JTQLQIEISA-N 311.363 -0.160 50 20 DBGD CN(C)S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 495605444 RVHYJKIJPINBAN-UHFFFAOYSA-N 324.403 -0.282 50 20 DBGD CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc(B(O)O)cc1 584953717 CRMAFMPVAILPAU-UHFFFAOYSA-N 314.154 -0.356 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)[C@@H]1OC 584976585 RRSZTSXAOYEBQO-XQQFMLRXSA-N 311.118 -0.572 50 20 DBGD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cccc(B(O)O)c1 584980351 XGSXKUPLLNNWDN-WXHSDQCUSA-N 302.139 -0.908 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 584996663 NUSSBRWRYVNFEW-OSAQELSMSA-N 303.167 -0.011 50 20 DBGD CCCN1C[C@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585047880 HLNAGGVPUHYDED-NSHDSACASA-N 308.162 -0.146 50 20 DBGD NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CBr)C1 707496548 GZECWUIEZIHWOZ-RXMQYKEDSA-N 307.191 -0.969 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)CNC(=O)c1ccco1 733747733 RIJSNNLEUWCPJP-UHFFFAOYSA-N 315.351 -0.064 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1cccnc1 738137139 RLOOBIGJKUAAAP-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD CNC(=O)NNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12 746593094 ANVPHBLJHTVYJI-ZETCQYMHSA-N 304.310 -0.359 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1 748636690 USZNEYLIXLRPOX-NXEZZACHSA-N 313.358 -0.137 50 20 DBGD CCc1ccccc1-n1cc(O)c(C(=O)NNC(=O)CO)n1 753445136 USNDEWYOXTWJSW-UHFFFAOYSA-N 304.306 -0.106 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(O)cc(O)c1 753700609 MKPKUARGLBNPTJ-QMMMGPOBSA-N 315.351 -0.124 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 758400957 MJOYOKGCEZZOFM-UHFFFAOYSA-N 322.346 -0.102 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)N3CCN(C)CC3)nn12 773658537 NGYPKLBEOWQRQG-UHFFFAOYSA-N 318.341 -0.965 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801108432 IIVDMDDVTXEKRA-UHFFFAOYSA-N 320.349 -0.004 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCN(C)C1=O 807370273 XSVSUUTXPUQXLU-VIFPVBQESA-N 301.343 -0.599 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCN(C)C(=O)C1 807371740 PDUISRPSLSDVHR-JTQLQIEISA-N 315.370 -0.209 50 20 DBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 814546495 DVTPKUHMJKWJGI-JTQLQIEISA-N 323.261 -0.554 50 20 DBGD NC[C@@H]1OCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1 852865003 PDGKHNNBAVMMSM-ZJUUUORDSA-N 304.310 -0.062 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CS(=O)(=O)C1CC1 854286535 SGGMNFJSKLFDQX-UHFFFAOYSA-N 323.440 -0.562 50 20 DBGD COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cccc(B(O)O)c1 863877622 BIPXWLHLHGIJQQ-CHWSQXEVSA-N 321.138 -0.841 50 20 DBGD O=C(/C=C\CN1CCOCC1)NNC(=O)Cc1ccncc1 866320622 JURDTQFPXOWVTC-UPHRSURJSA-N 304.350 -0.340 50 20 DBGD CCN1CCOC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 875062486 LZLZDMHINLOJDZ-NWDGAFQWSA-N 319.427 -0.801 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CN1CCCC1=O)N1CCCC1=O 913731181 XUUKZHNCQRYZCD-AWEZNQCLSA-N 324.381 -0.597 50 20 DBGD CC(C)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 915777503 SLFWWKRWRAMURP-QSFUFRPTSA-N 305.334 -0.403 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCC2(N(C)C)CC2)n1 923014587 DVMFGVQOQNJVHE-UHFFFAOYSA-N 308.386 -0.075 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN[C@@H]2C(=O)NCC2(C)C)cc1 931661157 OMMHPTYPYVQWCW-CYBMUJFWSA-N 318.377 -0.130 50 20 DBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)CN1CCCC1=O 1119663932 ZWTFQLJCGDMAIW-UHFFFAOYSA-N 307.354 -0.651 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1ccncc1 1123731264 CGNXDSNPDQDGGK-YPMHNXCESA-N 303.366 -0.840 50 20 DBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1cnn(C)c1 1251922823 DIKKMJONEJSNAM-NSHDSACASA-N 323.401 -1.000 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1317984501 VLWRWEFSTHJZSM-QMMMGPOBSA-N 307.354 -0.036 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)c(OC)c1 1330488033 GSCAEUHMJGFHCL-UHFFFAOYSA-N 311.294 -0.293 50 20 DBGD O=C(NNC(=O)c1cc(O)cs1)N[C@@H]1CCS(=O)(=O)C1 1333884880 LWXDGJYENNQJFI-ZCFIWIBFSA-N 319.364 -0.415 50 20 DBGD Cc1nn(C)c(N)c1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549319654 INJFONZLJMXVGC-ZYHUDNBSSA-N 306.370 -0.376 50 20 DBGD C[C@H](C(=O)NNCC(F)(F)C(F)(F)F)N1CCNCC1=O 1575072670 WZADUCDLMSEBIB-ZCFIWIBFSA-N 318.246 -0.375 50 20 DBGD COc1c[nH]c(C(=O)NNC(=O)CCCc2cnn[nH]2)cc1=O 1577037486 KLAPDEAWSZDJMD-UHFFFAOYSA-N 320.309 -0.715 50 20 DBGD CS(=O)(=O)SCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1580167443 BPXHXLKFVLRVHO-UHFFFAOYSA-N 316.368 -0.383 50 20 DBGD Cn1cc(C(=O)C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1 1592563032 DNFRCPGIBHZNHG-UHFFFAOYSA-N 312.293 -0.074 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)c1=O 1594551422 DETAWHOUIYLSIW-DTWKUNHWSA-N 310.310 -0.507 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1COc2c(F)cc(F)cc2C1 1601552867 LIUKSYVRLOLINK-ZETCQYMHSA-N 315.232 -0.317 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)cn1 1605481111 KVRSUQBWIKPCAY-WPRPVWTQSA-N 310.310 -0.549 50 20 DBGD C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)N(C)C 1609134195 ANKBQXXHHFIMTJ-QMMMGPOBSA-N 319.325 -0.064 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCSCC(=O)O)cn1 1610600440 PWKZLMDHVPXMGH-UHFFFAOYSA-N 301.328 -0.818 50 20 DBGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1781211345 QMPDDJDYHUYQMY-ZANVPECISA-N 320.773 -0.856 50 20 DBGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)C(=O)NC(C)C 45457658 WXUUXIWVFNRUJJ-UHFFFAOYSA-N 324.293 -0.111 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1=O 265848140 YNXJINGBINIEOG-GFCCVEGCSA-N 320.349 -0.236 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C[C@H]1CCCCO1 268711944 VUCZPBJZCVVKJP-GFCCVEGCSA-N 320.349 -0.082 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)[C@H]1CCC(=O)N1 270679363 HIJZOJYBQDHVIB-MRVPVSSYSA-N 309.347 -0.090 50 20 DBGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NN(C)C(N)=O)C2=O 272223768 ULHFJUXTCUSNQC-SDBXPKJASA-N 311.342 -0.471 50 20 DBGD CCN1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 299586427 BEUHOMUIFLGPRA-SECBINFHSA-N 322.321 -0.975 50 20 DBGD C[C@H]1c2nncn2CCN1C(=O)c1cc(B(O)O)ccc1F 584980466 AHQNYRQQRAYXJX-QMMMGPOBSA-N 304.090 -0.686 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(c2nnco2)CC1 584989651 SGJOEODYSFSKBJ-UHFFFAOYSA-N 319.101 -0.092 50 20 DBGD CN(C(=O)c1cccc(B(O)O)c1)C(C)(C)CN1CCOCC1 584998832 BAGJXKUXPCALTR-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN(CCCF)CC1 585003858 SHYMIZKPLLGULX-UHFFFAOYSA-N 312.125 -0.377 50 20 DBGD CC(C)(C)N1C[C@@H](CNC(=O)c2cccc(B(O)O)c2)CC1=O 585006005 PJSZNOBUEXJTLA-LLVKDONJSA-N 318.182 -0.257 50 20 DBGD OB(O)c1ccc(CNC2CCN([C@H]3CCCC[C@@H]3O)CC2)o1 585031727 XZNMSPGRVLSUQA-GJZGRUSLSA-N 322.214 -0.183 50 20 DBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C(C)(C)O)n1 728734386 ZUPBQSYYXFJXKL-UHFFFAOYSA-N 315.351 -0.544 50 20 DBGD O=C(O)CCS(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 739741773 FHVPPEQZDRKHRI-UHFFFAOYSA-N 316.291 -0.546 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)CO)c(OCC(=O)N(C)C)c1 756204689 YTUVQIREISDUTI-UHFFFAOYSA-N 324.337 -0.393 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1cccc2ncccc12 761155192 JKQQBKJHDAURFC-UHFFFAOYSA-N 301.306 -0.075 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@]23CCC(=O)N2CCS3)n[nH]1 763121135 XWTBCQROWQFFNW-GFCCVEGCSA-N 309.351 -0.455 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1C[C@@]12CCOC2 763442405 XCLLMJMKJWTUOW-YMTOWFKASA-N 307.306 -0.417 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC(C)C)cn1C 763886323 SSAFNCOXUDJZTC-UHFFFAOYSA-N 324.337 -0.056 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 764299315 GBGVXHZNGZOLMP-UHFFFAOYSA-N 309.278 -0.795 50 20 DBGD O=C(CN1CCN2C(=O)CC[C@@H]2C1)NNC(=O)c1ccccc1 766272087 OPDWUZMZKNFGQQ-CYBMUJFWSA-N 316.361 -0.246 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)NC(C)=O)nc1C 778422147 KETUILBSLLSHQK-QMMMGPOBSA-N 309.326 -0.071 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ncncc2Cl)O1 781003352 SFVYXPIKBJTJBK-HTRCEHHLSA-N 314.733 -0.211 50 20 DBGD CN(CC(=O)NNc1ncccc1F)[C@H]1CCS(=O)(=O)C1 804219940 UOWWZRMXXGUAJZ-VIFPVBQESA-N 316.358 -0.217 50 20 DBGD COc1ccnc(NNC(=O)Cc2nnn(C(C)(C)C)n2)n1 821480269 BLSIYELXDHQOPF-UHFFFAOYSA-N 306.330 -0.088 50 20 DBGD C=CCn1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 826992794 FJKTWYSBFKBDLX-KOLCDFICSA-N 308.342 -0.281 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cc[nH]n1)n1nnnc1C(C)(C)C 855357450 JPWFCMUDFLMHJS-ZETCQYMHSA-N 306.330 -0.284 50 20 DBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1F 863460054 XPPLWNBCETWFQE-UHFFFAOYSA-N 304.299 -0.360 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](C)c1ccco1 863866571 VYBQEMJYBKSOTM-BDAKNGLRSA-N 317.367 -0.142 50 20 DBGD C/C=C/C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OCC 863879672 XTWVPLVJOZAZEQ-MASHWEEQSA-N 305.139 -0.006 50 20 DBGD CN(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C 873838498 FKGRPFXHNOSRSP-SNVBAGLBSA-N 319.427 -0.454 50 20 DBGD CC1(C)OC[C@@H](CNC(=O)NNC(=O)C2CCOCC2)O1 883604489 YGXDHFSZAKHUGZ-SNVBAGLBSA-N 301.343 -0.105 50 20 DBGD CN(C)CC(=O)NNC(=O)CCCN(C)C(=O)c1ccncc1 894134670 MFSWVMMHKFXQGP-UHFFFAOYSA-N 321.381 -0.357 50 20 DBGD COc1ccc(Br)c(C(=O)NNC(=O)C(N)=O)c1 917360136 YFLGOVQFNXJBIF-UHFFFAOYSA-N 316.111 -0.296 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCSC1)c1n[nH]c2c1CCCC2 1319728080 FGUCDMRNSUOWBR-ZDUSSCGKSA-N 310.379 -0.083 50 20 DBGD Cn1ccc(NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 1320979121 ZFTGKNVWGNTJCI-VDUILEQBSA-N 315.333 -0.330 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 1321132635 QCKGXGRQZUBFBH-UHFFFAOYSA-N 324.268 -0.112 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 1321151950 LRLLMKCVVKIBPI-UHFFFAOYSA-N 308.294 -0.623 50 20 DBGD Cn1ccnc(NNC(=O)CCCCN2CCOCC2)c1=O 1321231628 BSGMRZDYFHSQLD-UHFFFAOYSA-N 309.370 -0.274 50 20 DBGD COCCn1cc(C(=O)NNC(=O)C(C)(C)O)c(=O)cc1C 1326786920 JLWLAVFIBUHQQG-UHFFFAOYSA-N 311.338 -0.665 50 20 DBGD COCCCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 1331340682 RXUCBOWLCZAVRB-UHFFFAOYSA-N 323.353 -0.697 50 20 DBGD O=C1N[C@H]2CN(C(=O)NNC(=O)c3cn[nH]c3)CC[C@@H]2CO1 1348122498 ISSZTSRDOPANMS-APPZFPTMSA-N 308.298 -0.806 50 20 DBGD N[C@@H](CO)C(=O)NNC(=O)c1ccc(F)cc1Br 1574264444 QWACIOZYBLQGFC-QMMMGPOBSA-N 320.118 -0.331 50 20 DBGD O=C(NNC(=O)c1cnsn1)c1ccc(-c2nn[nH]n2)cc1 1593159742 YJQKZMUQMRQKCK-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1593994512 HUKYPMQCOATVTM-NXEZZACHSA-N 317.342 -0.377 50 20 DBGD Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)NCC(=O)O 1600076271 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DBGD CSCCONC(=O)NNC(=O)C(=O)Nc1ccccn1 1326835965 NTRAHJDIAKIYIK-UHFFFAOYSA-N 313.339 -0.355 50 20 DBGD C[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 1326899477 DZFDDZZRMHFOPB-WDEREUQCSA-N 312.370 -0.388 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1328135369 SJLOJKBFQISKLU-ZDCRXTMVSA-N 312.370 -0.344 50 20 DBGD Cc1cccc2nc(C(=O)NNC(=O)CS(C)(=O)=O)cn12 1329588366 IVYCZYQZINRQQG-UHFFFAOYSA-N 310.335 -0.552 50 20 DBGD CCN(C(=O)NNC(=O)c1cn[nH]c1)[C@H](C)CS(C)(=O)=O 1329758849 LCFSEXNCCXPIDT-MRVPVSSYSA-N 317.371 -0.481 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)OCC(F)(F)F)nn1 1351094457 FVCUKCSVUONPOD-RXMQYKEDSA-N 311.220 -0.349 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H]1[C@@H]2CNC[C@@H]21 1579798102 WUTOJYRPCUZJTB-HALDLXJZSA-N 316.405 -0.165 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC[C@]2(CC(C(=O)O)=NO2)C1 1590940052 JZGHRQIYXOYSTG-ZDUSSCGKSA-N 312.326 -0.905 50 20 DBGD Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)c1ncon1 1591862960 CPYYYNRNEDSCOI-UHFFFAOYSA-N 314.265 -0.367 50 20 DBGD CO[C@@H](CS(=O)(=O)NNC(=O)NCC(=O)O)C1CCCC1 1599055547 GKEWQBPAYOEJKF-VIFPVBQESA-N 323.371 -0.590 50 20 DBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)COc1ccc(C#N)cc1 1604462312 BOZXMTUIUCMZHY-AWEZNQCLSA-N 321.289 -0.426 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)c(F)c1 1606774675 WOJXHZLKUBJVDJ-UHFFFAOYSA-N 313.241 -0.744 50 20 DBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1608770813 YONZAOUXLBKAJM-YIZRAAEISA-N 312.326 -0.761 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1609092692 XWILNAUAWQPUOS-SSDOTTSWSA-N 307.318 -0.787 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H](C)C(=O)O 1611203773 YIJLUOQXACWAEY-JTQLQIEISA-N 322.317 -0.051 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 126048556 HHKGSAIIWCJRCV-MRVPVSSYSA-N 301.324 -0.281 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)NC1CC1 263818896 PMPTUMYHBNAPJE-NSHDSACASA-N 305.290 -0.748 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNc2ncncc2F)C1=O 293986807 LGQCZIQVXJXLQR-ZDUSSCGKSA-N 322.300 -0.221 50 20 DBGD CNC(=O)[C@H]1CCCN1CC(=O)NNC(=O)c1ccc(F)cc1 298048809 HOMZJSLCGZVNHS-GFCCVEGCSA-N 322.340 -0.203 50 20 DBGD Cc1nccn1C[C@H](C)CNC(=O)c1cccc(B(O)O)c1 584932340 LGZMCXUJNCIGQN-LLVKDONJSA-N 301.155 -0.063 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(c2nnco2)CC1 584989299 MADLAHDFTFXLPV-UHFFFAOYSA-N 319.101 -0.092 50 20 DBGD O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCB(O)O 585058964 VLORBOSSIOHUST-UHFFFAOYSA-N 307.111 -0.061 50 20 DBGD COc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1O 728436503 GROVCLAUZIPOCZ-QMMMGPOBSA-N 315.351 -0.211 50 20 DBGD O=C(NNC(=O)c1sccc1-c1nn[nH]n1)c1cnn[nH]1 738134064 DUUICUQDKDMHNX-UHFFFAOYSA-N 305.283 -0.879 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@@H]1C(=O)O)c1nnc(O)c2ccccc12 739455269 YEFNLLXLZJFKLI-IUCAKERBSA-N 316.273 -0.183 50 20 DBGD COc1ccc(NC(=S)NNC(=O)Cn2cnnn2)cn1 750305252 AUWGINZYPABBBC-UHFFFAOYSA-N 308.327 -0.906 50 20 DBGD CC(C)N(CCS(C)(=O)=O)CC(=O)NNC(=O)C1CC1 759229459 OLQOAKNCPXKDPD-UHFFFAOYSA-N 305.400 -0.701 50 20 DBGD CC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccc(C)c1 777587968 BHPTVWSKHSEDRF-ZDUSSCGKSA-N 318.377 -0.034 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801108662 FLZUGERFZWMLAL-UHFFFAOYSA-N 307.310 -0.990 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)NC2CCCCC2)c1=O 814719409 NUAMHPNZXOLYMI-UHFFFAOYSA-N 310.358 -0.365 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNC(=O)c2ccnnc2)CC1=O 817693448 LYSBBNMYVFMFPY-LLVKDONJSA-N 305.338 -0.258 50 20 DBGD C[C@@]1(NNC(=O)NCCCCC(=O)O)CCS(=O)(=O)C1 820215331 SOAFPTNNYBJBFD-LLVKDONJSA-N 307.372 -0.378 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)CC(C)(C)C 821154235 MMNWOQXSLDQKKR-IUCAKERBSA-N 321.399 -0.435 50 20 DBGD CN(C)CCn1cc(NC(=O)NNC(=O)c2cc[nH]n2)cn1 821500909 GFIMBEKIDRLLQQ-UHFFFAOYSA-N 306.330 -0.366 50 20 DBGD CCCNC(=O)NNC(=O)CNS(=O)(=O)c1cccnc1 823950060 BDHKJBCIFFYNCR-UHFFFAOYSA-N 315.355 -0.900 50 20 DBGD CCNC(=O)N(C)NC(=O)CCN1C(=O)CCNC1=S 847687397 OYPOXWBEXFMDHY-UHFFFAOYSA-N 301.372 -0.824 50 20 DBGD Cn1cc([C@@H]2CN(S(=O)(=O)CBr)C[C@H]2N)cn1 850589674 VDWCNKIIONHMHU-DTWKUNHWSA-N 323.216 -0.171 50 20 DBGD C/C(=C\C(=O)NNC(=O)N1CCN(C)CC1)c1cnccn1 854381526 MLHVFTVJXFJLPL-PKNBQFBNSA-N 304.354 -0.132 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 857170306 NMMVJDAFODMNQS-SECBINFHSA-N 309.297 -0.292 50 20 DBGD COCc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858136042 FWLMOZAMJYUXRU-GFCCVEGCSA-N 320.349 -0.058 50 20 DBGD O=C(Cc1ccc2c(c1)COC2)NNC(=O)[C@H]1CCC(=O)N1 862459977 CLSYWWKCXQFAFB-GFCCVEGCSA-N 303.318 -0.315 50 20 DBGD C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460629 FNQPZXGCFACCLS-KXUCPTDWSA-N 305.400 -0.560 50 20 DBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)N(C)CC(F)(F)F 863464290 BQKFJJJGHBJOHY-LURJTMIESA-N 319.305 -0.939 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)Cn1cncn1 863999080 LTZBUVITQVNOED-UHFFFAOYSA-N 305.294 -0.487 50 20 DBGD COC(=O)N1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 865114017 UZHPEZQUGGMCOY-LBPRGKRZSA-N 306.127 -0.673 50 20 DBGD CO[C@@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCSC1 896014642 HRADQRKZVAVXHT-LBPRGKRZSA-N 301.368 -0.722 50 20 DBGD CCCCn1ncc(NC(=O)C(=O)NNC(=O)CCO)c1C 1116623718 TWHCOPKLVNOLHM-UHFFFAOYSA-N 311.342 -0.540 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nccn2ccnc12 1252409177 CWPXRKQPRGWUAB-UHFFFAOYSA-N 318.337 -0.205 50 20 DBGD CC(C)c1cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)on1 1261789857 SPGRCOFOPXXTSJ-VIFPVBQESA-N 309.326 -0.093 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccccc1CC#N 1261835430 VKKOTTBIKYYATL-UHFFFAOYSA-N 309.347 -0.513 50 20 DBGD Cc1nnc(NNC(=O)CS(=O)(=O)C2CCCC2)nc1O 1317875453 PJTNZVXWYMBGMC-UHFFFAOYSA-N 315.355 -0.314 50 20 DBGD COCC(=O)NCCC(=O)NNc1nc(-c2cccnc2)no1 1318550781 ZTCMSHRGUSCUOM-UHFFFAOYSA-N 320.309 -0.273 50 20 DBGD COc1ccc(C(=O)NNC(=O)Cn2cc([C@H](C)O)nn2)cc1 1319261262 DKVYLDCTXRQIGJ-VIFPVBQESA-N 319.321 -0.199 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 1320594763 AGLDAGVLJXTHPY-MRVPVSSYSA-N 313.314 -0.194 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1COC2=O 1323512979 DPWBPGRGIZWREE-UHFFFAOYSA-N 320.305 -0.996 50 20 DBGD COCC1(C(=O)NNC(=O)C(=O)NC(C)C)CCOCC1 1324070327 QTMFFTYGYUIRHJ-UHFFFAOYSA-N 301.343 -0.898 50 20 DBGD O=C(CN1CCn2c(nnc2C(F)F)C1)NNC(=O)C1CC1 1328604536 KZUSUEQTPBKTAE-UHFFFAOYSA-N 314.296 -0.411 50 20 DBGD C[C@H](OC1CCCCC1)C(=O)NNC(=O)CS(C)(=O)=O 1329208123 NKMITAYMCRXTLS-VIFPVBQESA-N 306.384 -0.084 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)C1CCNCC1 1330521737 ZHXJPTIOVBACFN-UHFFFAOYSA-N 301.347 -0.985 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1 1331120069 INIJWYQPIDKBNY-ZJUUUORDSA-N 320.353 -0.732 50 20 DBGD Cn1/c(=N\NC(=O)CN2CCNC(=O)C2)sc2ccccc21 1548397196 YETAUGCIGGAVNY-SAPNQHFASA-N 319.390 -0.397 50 20 DBGD O=C(Cc1ccsc1)NNC(=O)C1(C2(O)CNC2)CCC1 1580576026 CIEGGHTXUXWQEN-UHFFFAOYSA-N 309.391 -0.057 50 20 DBGD O=C(NNC(=O)c1cn([C@H]2CCCNCC2)nn1)NC1CC1 1580737834 ZBFUPDVPVLYWRR-JTQLQIEISA-N 307.358 -0.301 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1589411386 LEYFXVMRTJRZQK-UHFFFAOYSA-N 310.339 -0.168 50 20 DBGD COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)NNC(=O)C(=O)O)C2 1598883308 WCNKLELQXQWBMQ-RNJXMRFFSA-N 314.298 -0.979 50 20 DBGD O=C(NCCn1ccc(C(F)(F)F)n1)NNC(=O)C(=O)O 1601517635 FIGGEOABNRECDC-UHFFFAOYSA-N 309.204 -0.683 50 20 DBGD C=C[C@@](C)(O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1602794986 XNIILNVMMSENRC-CQSZACIVSA-N 316.321 -0.045 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CCn2ccccc2=O)n1 78950305 WYVINVQWAQCVGX-UHFFFAOYSA-N 317.349 -0.101 50 20 DBGD C[C@@]1(NNC(=O)NC[C@H]2CCCCO2)CCS(=O)(=O)C1 140114088 ZODRZPSMJPRAGW-ZYHUDNBSSA-N 305.400 -0.064 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)Cn1cnc([N+](=O)[O-])n1 153935430 DZUMKWRJZPNCHB-UHFFFAOYSA-N 318.293 -0.115 50 20 DBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)CCC1CC1 271273144 OBXYSCIJKAZTAW-UHFFFAOYSA-N 315.351 -0.240 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CCn1ncn(C)c1=O 294129751 POYHYOPFTGDSHR-UHFFFAOYSA-N 319.321 -0.558 50 20 DBGD O=C(NNc1nccnc1C1CCC1)[C@@H]1CN2CCCN1CC2 376487503 LVGZZZMQBSODKW-ZDUSSCGKSA-N 316.409 0.577 50 20 DBGD CCOC(=O)NNC(=O)CSCC(=O)N1CCOCC1 491970666 ZZSQDULOSPJJGW-UHFFFAOYSA-N 305.356 -0.644 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 584940351 SRMXQZNFEYKAEL-GFCCVEGCSA-N 300.127 -0.989 50 20 DBGD COCCN(CCCN(C)C)C(=O)c1ccc(B(O)O)cc1 584946623 WAEJMXIMUXREGM-UHFFFAOYSA-N 308.187 -0.593 50 20 DBGD CCCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)cc1 584960671 MMSFGTFWIHNZPI-CYBMUJFWSA-N 304.155 -0.503 50 20 DBGD CCOCC(=O)NNC(=O)NCCNC(=O)c1cccs1 731280918 GVEZRSKZFJYTFW-UHFFFAOYSA-N 314.367 -0.155 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3CNC[C@H]3C2)c1 744389420 STVXYJFZIZYVMA-KBPBESRZSA-N 313.361 -0.530 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CCOC(C)C)CC1 746669597 WJOQXEGWUDXFAE-CYBMUJFWSA-N 314.430 -0.025 50 20 DBGD O=C(CO)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 753439513 OUVSRWWHSXLEEP-UHFFFAOYSA-N 323.393 -0.151 50 20 DBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 760613711 QKINWIZTRQXNSI-NSHDSACASA-N 322.369 -0.237 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CCCN(C(N)=O)C1 769767478 MKUNFBSSMZODLO-QMMMGPOBSA-N 319.456 -0.365 50 20 DBGD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)CO 777782109 QHGWHYIUIWCMBN-USYJTPIQSA-N 301.368 -0.616 50 20 DBGD COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)NNC(=O)C1CC1 778238838 QFYURNHDUHDECE-WDEREUQCSA-N 313.354 -0.804 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCC(=O)NC2)nc1C 778422709 RRUNSXOQCKPSOI-SECBINFHSA-N 321.337 -0.069 50 20 DBGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)CN(C)C)cn1 779379271 HPYHKBRWIRFUIL-UHFFFAOYSA-N 305.342 -0.384 50 20 DBGD Cn1cnn(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])c1=O 791076853 XHSNLYGKQPEPOF-UHFFFAOYSA-N 310.245 -0.228 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 826364823 MZNVRLXWRGECMJ-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN(CCO)C2CC2)cc1 839464151 BTOSZUKQCRQDBU-UHFFFAOYSA-N 302.334 -0.224 50 20 DBGD Cc1ccoc1CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 857116607 KFCMZRWPGDLQNM-MRVPVSSYSA-N 303.340 -0.784 50 20 DBGD CCCc1[nH]nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1[N+](=O)[O-] 862455777 QTMAEZINNMJPPX-SSDOTTSWSA-N 324.297 -0.690 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)N1 862459360 RWBNFFPKXAHQTB-ONGXEEELSA-N 317.305 -0.999 50 20 DBGD CCSCc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)no1 862462674 ZNERKJNOPCLAGM-MRVPVSSYSA-N 312.351 -0.033 50 20 DBGD O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1cc(B(O)O)ccc1F 864906566 PJBROXMXPGLZIT-NWDGAFQWSA-N 306.146 -0.138 50 20 DBGD CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 928732952 HTGLQIMVRUJOGE-CYBMUJFWSA-N 318.182 -0.114 50 20 DBGD Cn1nc(C(=O)NNc2ccc(C(N)=O)nn2)cc1C1CC1 1116250310 CHKRPMIZQCEWSL-UHFFFAOYSA-N 301.310 -0.057 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cc1csc(-c2nc[nH]n2)n1 1116787732 UTVAXEWCDMZVKZ-UHFFFAOYSA-N 310.339 -0.611 50 20 DBGD CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)CCO 1254980199 IVZVZUAGKBEEJG-UHFFFAOYSA-N 323.353 -0.618 50 20 DBGD C[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccco1 1318688613 LABMUCJTPHZNQX-BDAKNGLRSA-N 315.351 -0.099 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](c1ccsc1)N(C)C 1319298210 BCKYAGWFSIROOB-VIFPVBQESA-N 314.367 -0.146 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C[C@H]1CCOC1 1321093662 PTJFEQNCSHGSCJ-SNVBAGLBSA-N 306.322 -0.615 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2nc(C)no2)n1 1326731126 FDDQSOFNNJTZPT-UHFFFAOYSA-N 307.314 -0.278 50 20 DBGD CC(C)N1CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1329141879 SFIJDRYWJMYKSU-LLVKDONJSA-N 311.386 -0.532 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@]12CCNC2 1574300400 LISKLOVFHVHRJT-XPTSAGLGSA-N 322.390 -0.375 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CNOC1 1576295523 PCQHAHJUOHCTKR-DTWKUNHWSA-N 312.301 -0.173 50 20 DBGD CC(=NNC(=O)[C@@H]1COCCO1)c1cc(-c2nn[nH]n2)ccn1 1588776124 ZFSNVVQQQPORMX-NSHDSACASA-N 317.309 -0.483 50 20 DBGD NCCCC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1592744358 IOXVHOIIICMLJL-UHFFFAOYSA-N 304.314 -0.242 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)N1CCOCC1 1594782908 NAIGGHWINXYZCE-UHFFFAOYSA-N 317.367 -0.343 50 20 DBGD COC(=O)CCN(CC(=O)O)S(=O)(=O)CCCCl 1604317282 JWBLRZTXADWZAZ-UHFFFAOYSA-N 301.748 -0.105 50 20 DBGD CN(C)C(=O)CCCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604665246 AQTHNOWYSZEBSX-UHFFFAOYSA-N 318.341 -0.037 50 20 DBGD COc1ccc(NC(=O)NNC(=O)CCO)cc1-c1nn[nH]n1 1605297658 DYRKVZWKQMJOTF-UHFFFAOYSA-N 321.297 -0.590 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccc(F)c(-c2nn[nH]n2)c1 1606851835 PZFTUOPNKXZNPN-SNVBAGLBSA-N 320.284 -0.054 50 20 DBGD COCCOc1ncccc1CNC(=O)NNC(=O)C(=O)O 1606920036 REOKUDYVAZXXIW-UHFFFAOYSA-N 312.282 -0.978 50 20 DBGD CN(CC(=O)NNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 68011490 ABQPMSCWYCTINF-VIFPVBQESA-N 321.399 -0.339 50 20 DBGD CCCCOCC(=O)NNC(=O)CNC(=O)c1cccnc1 268870523 STGMTMDYFIXEOM-UHFFFAOYSA-N 308.338 -0.225 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1cc(Cl)nc(N)n1 273444726 GNGUGRMCGSVXEA-SCSAIBSYSA-N 308.751 -0.907 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccncn2)C[C@H](C)O1 275237332 VXMQMOSAPNULSG-QWRGUYRKSA-N 307.354 -0.263 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1F 495448446 OJIARRNCWKDWEE-UHFFFAOYSA-N 313.241 -0.062 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 495692518 INIAZRFDWUBYHE-UHFFFAOYSA-N 305.294 -0.086 50 20 DBGD CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584949020 KECLDIYZCMHRSK-CQSZACIVSA-N 308.162 -0.082 50 20 DBGD CNC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584988814 FRDRUGMYEXUVQP-AWEZNQCLSA-N 318.182 -0.113 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)CCNC(N)=O)c1 726077018 KXDHYTLNEAWXQW-UHFFFAOYSA-N 310.310 -0.477 50 20 DBGD COc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1O 728436501 GROVCLAUZIPOCZ-MRVPVSSYSA-N 315.351 -0.211 50 20 DBGD O=C(NCC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 738043316 CIBXCUGDELHQTF-UHFFFAOYSA-N 302.298 -0.384 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1Cc2ccccc21 741895759 VANAPXJEAHNPHE-JQWIXIFHSA-N 308.359 -0.092 50 20 DBGD CC(C)C(=O)NCCNC(=O)NNC(=O)Cc1ccncc1 747491430 RINBPNRJKSFYSF-UHFFFAOYSA-N 307.354 -0.273 50 20 DBGD CN(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 749590740 NQFBEBZASJOHAF-MNOVXSKESA-N 311.386 -0.532 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)CC1=O 757402452 NBTXAUMTBZYXDG-VIFPVBQESA-N 320.353 -0.477 50 20 DBGD CC(C)CCn1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)n1 764203478 HZXXDJNDHLRXDR-UHFFFAOYSA-N 324.385 -0.423 50 20 DBGD CCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CO 764422392 YGWWZRJNOWJGQH-UHFFFAOYSA-N 306.278 -0.965 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2ccncc2)c1C 764581171 LWQKTYDLPIOIBX-UHFFFAOYSA-N 301.306 -0.133 50 20 DBGD CC(C)c1nccnc1NNC(=O)c1cn(C)c(=O)n(C)c1=O 772847972 KMBPKLAOUYGRRK-UHFFFAOYSA-N 318.337 -0.246 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cc2ccc(C(N)=O)cc2)n[nH]1 792607993 ZIQKMRYQKFXEII-UHFFFAOYSA-N 301.306 -0.179 50 20 DBGD CCNC(=O)[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)C(C)C 814474375 SEIZLAFIMJSCLT-JTQLQIEISA-N 310.358 -0.475 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)Nn2c(O)nnc2O)cc(C#N)n1C 820283208 UQHICKXQIVRAAA-OQFOIZHKSA-N 313.277 -0.115 50 20 DBGD O=C1CC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CN1 826479535 ANSBXEPDZKLODR-VIFPVBQESA-N 301.310 -0.164 50 20 DBGD O=C1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CN1 826479845 JWBNRWXKQDCSPC-SECBINFHSA-N 301.310 -0.164 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 833438777 LJMGFWTYOXPCBT-BQBZGAKWSA-N 301.299 -0.621 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCOC1)[C@@H]1COc2ccccc2O1 840238923 JLORXMUNPNSCGM-SMDDNHRTSA-N 308.290 -0.875 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1nnnc1-c1ccsc1 843863146 DAGNBWAFDJPVMG-UHFFFAOYSA-N 310.339 -0.680 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(n2cnnn2)CCCCC1 845454661 IOUWXIBIVANVIN-UHFFFAOYSA-N 318.341 -0.175 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)N2)c(O)c1 846632757 QPXODKDDEDACGZ-VIFPVBQESA-N 313.335 -0.847 50 20 DBGD CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858602069 PLNYCDJPISWJIQ-VHSXEESVSA-N 311.386 -0.532 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1F 863459916 JFDCGJCRAYLACP-UHFFFAOYSA-N 317.342 -0.303 50 20 DBGD C[C@@H]1CCCc2ncc(C(=O)NNC(=O)CS(C)(=O)=O)n21 863466809 BZAIQDLNIJMBRE-MRVPVSSYSA-N 314.367 -0.414 50 20 DBGD O=C(CN1CCC(NCCO)CC1)NNC(=O)c1ccccc1 866682469 NYGXAASLAOCJPM-UHFFFAOYSA-N 320.393 -0.506 50 20 DBGD O=C1CN(CC(=O)NNc2cc(C(F)(F)F)ccn2)CCN1 908505255 MOIOPLYUPVMVDF-UHFFFAOYSA-N 317.271 -0.025 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NN(C)C[C@H](C)O)c1 910161748 AMXIUFILNXODCS-ZETCQYMHSA-N 307.397 -0.386 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=O)NC1CCCCC1 916107842 VCPZXWOJZSRPNJ-UHFFFAOYSA-N 318.399 -0.315 50 20 DBGD Cn1cc(C=NNC(=O)NCc2ccco2)c(=O)n(C)c1=O 920828987 JFUMTLZYWZMGSK-UHFFFAOYSA-N 305.294 -0.490 50 20 DBGD C[C@@]1(NNC(=O)NOC[C@H]2CCOC2)CCS(=O)(=O)C1 1116749889 RPQISMSGMZJEGR-GXSJLCMTSA-N 307.372 -0.665 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](S(C)(=O)=O)CC1 1116927999 HIMNLBBIBDOZJR-GHMZBOCLSA-N 319.427 -0.169 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(N)=O)cc1 1318890183 HNYKLGGMDIYTKL-NSHDSACASA-N 306.322 -0.001 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1c2c(nn1C)CCC2 1321671894 DZPHNBAMYXXGAN-UHFFFAOYSA-N 308.342 -0.460 50 20 DBGD O=C(Cc1c[nH]c2cnccc12)NNC(=O)[C@H]1CCC(=O)N1 1329643800 DCOSJQVOGAVYAD-SNVBAGLBSA-N 301.306 -0.469 50 20 DBGD COCCCn1nccc1C=NNC(=O)CS(C)(=O)=O 1331722322 GAIZZHXXDFUBFB-UHFFFAOYSA-N 302.356 -0.586 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)CC1CC1 1347849710 IVKALWQDNNBCDF-UHFFFAOYSA-N 311.363 -0.088 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cccc(C#N)n1 1349152733 KZFFXMCPASSEAI-PSASIEDQSA-N 317.305 -0.536 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1ccccc1F)c1nnnn1C 1357697113 PDUGTNUJENLCEJ-MRVPVSSYSA-N 321.316 -0.017 50 20 DBGD COC(=O)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 1579446505 XWIWFPSQFSGHST-UHFFFAOYSA-N 311.689 -0.079 50 20 DBGD N#C[C@H]1CNCC12CC(C(=O)NNC(=O)[C@H]1CCCCO1)C2 1580042883 DAFPIMOTRNGEEL-XWAURUHHSA-N 306.366 -0.158 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1592925688 PEOJPWPZTNLPCJ-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD CO[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C(=O)O)C1 1599121917 YJVXBGSUURPWOM-NWDGAFQWSA-N 307.111 -0.929 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cc(Cl)ccc1O 1604433550 DYQDSGPMBRSCMA-QMMMGPOBSA-N 302.670 -0.094 50 20 DBGD CC[C@@H](C)OCC(=O)NNC(=O)CNC(=O)c1cccnc1 269809976 FFRMZACICPVXKS-SNVBAGLBSA-N 308.338 -0.226 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(Cl)Cl 273459306 HKXPWELBBAMBRF-SCSAIBSYSA-N 306.171 -0.735 50 20 DBGD CN(C)C(=O)NNC(=O)COC1CN(C(=O)OC(C)(C)C)C1 492968035 GUJUDALDDFREMZ-UHFFFAOYSA-N 316.358 -0.075 50 20 DBGD CCOC(=O)NCCCC(=O)NNc1ccc(C(N)=O)nn1 493996347 YKIYKPAXLJSMDA-UHFFFAOYSA-N 310.314 -0.455 50 20 DBGD COC(=O)N(C)NC(=O)CNS(=O)(=O)CCOC(C)C 495763342 RECBGJZUOWXWMN-UHFFFAOYSA-N 311.360 -0.940 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 496137221 ARXVZUSZFIMIPR-SWPVVBRQSA-N 321.289 -0.529 50 20 DBGD Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584970152 VGASRXCZRHMELT-GFCCVEGCSA-N 318.117 -0.389 50 20 DBGD CN(C)C(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCCCC1 584997388 FRAWEAGHQRORAS-UHFFFAOYSA-N 318.182 -0.113 50 20 DBGD CN1CCC[C@H](CCNC(=O)c2ccc(B(O)O)c(F)c2)C1 584998918 SINWRZMGJODLTK-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD CC(C)CN1CCO[C@@H](CNCc2cccc(B(O)O)c2)C1 585016754 YFZAOKICFPSOAY-INIZCTEOSA-N 306.215 -0.187 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 729531481 QIRFXTNEYDIHPE-SECBINFHSA-N 310.379 -0.423 50 20 DBGD O=C(COCC(=O)NNC(=O)C1CCC1)NCc1cccnc1 732145214 QPRYMMJXIXUNCB-UHFFFAOYSA-N 320.349 -0.338 50 20 DBGD COC(=O)NCC(=O)NNc1ccccc1S(C)(=O)=O 732301543 CLUJGRAQIRNGNZ-UHFFFAOYSA-N 301.324 -0.111 50 20 DBGD CCNC(=O)NNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 735037776 DRTUOXOPRPCFAP-UHFFFAOYSA-N 316.321 -0.065 50 20 DBGD O=C(O)NCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 738654084 QCWMBKQIGRQFIL-UHFFFAOYSA-N 303.278 -0.099 50 20 DBGD COc1ccnc(NNC(=O)NCC(C)(C)S(C)(=O)=O)n1 748966912 BCBVRRXDYNHTIH-UHFFFAOYSA-N 317.371 -0.066 50 20 DBGD CC1CC(C#N)(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C1 758045535 OXVSIXMZPCLJKQ-KAIZJQOQSA-N 302.356 -0.989 50 20 DBGD COCCC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCC1 758050982 DLRMNOQYHSLRPE-VIFPVBQESA-N 321.399 -0.722 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(Cl)c1)[C@@H]1CCNC1=O 759435772 JLDDGFDNCCXLCL-LLVKDONJSA-N 324.768 -0.079 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)o1 762744376 LOCKJSFQKZRNBD-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 763557179 DBMGJXAYHBDXKC-UHFFFAOYSA-N 319.317 -0.102 50 20 DBGD O=C(NNC(=O)C(F)(F)C1(O)CCC1)C(=O)N1CCCC1 764072608 XKXMHSFXEDPUKO-UHFFFAOYSA-N 305.281 -0.694 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)Sc2nncn2C)n[nH]1 765586934 MQLKRZCZSOQLAR-SSDOTTSWSA-N 309.355 -0.212 50 20 DBGD Cc1ccn2ncc(C(=O)NNC(=O)C(=O)NC(C)C)c2c1 766830995 BTWZBPSXTYVTNN-UHFFFAOYSA-N 303.322 -0.072 50 20 DBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 774777655 YORHHNKLXSAHJG-WDEREUQCSA-N 314.386 -0.001 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1cnc(OC)nc1 775130476 FUICYSOUELQYHC-VUHVRTRXSA-N 322.321 -0.013 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)[C@H]2COCCO2)c1 776537971 RDHFGHIMDQWMOT-LLVKDONJSA-N 300.336 -0.051 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 782012747 LGQWTLRMQDFICZ-VXGBXAGGSA-N 314.430 -0.291 50 20 DBGD O=C(COCCNC(=O)c1ccccc1)NNC(=O)C1CC1 784584040 CMHASLPSCFTMMG-UHFFFAOYSA-N 305.334 -0.010 50 20 DBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)O1 800333108 MBJSMWIUHKOIBL-FXPVBKGRSA-N 306.322 -0.019 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2c3c(nn2C)CCCC3)CC1 807381169 GSUWRABLLZZVOB-UHFFFAOYSA-N 320.397 -0.099 50 20 DBGD CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 812660850 XQCCOKJCYQFFEH-SNVBAGLBSA-N 313.402 -0.284 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CNS(=O)(=O)N(C)C 816829159 CXMREYHEOIITAA-UHFFFAOYSA-N 314.367 -0.848 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1C1CCCC1)c1ccnnc1 817693437 OROLDUHLNSBDII-CYBMUJFWSA-N 319.365 -0.119 50 20 DBGD CS(C)(=O)=NS(=O)(=O)NNC(=O)c1ccccc1O 821123985 KYMOICPRCFMBDN-UHFFFAOYSA-N 307.353 -0.401 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 847544266 WXZGFXKPRAUKFW-QWRGUYRKSA-N 315.333 -0.464 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)Cc1cn2ccccc2n1)C(=O)O 848584524 AOJOYYHJXAIXER-VIFPVBQESA-N 319.321 -0.072 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 856790859 CXNPPRGCGMSVKX-UWVGGRQHSA-N 320.349 -0.234 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNC(=O)C(C)(C)C)CC2=O)cn1 858523690 XWJIKKCGODNPQE-VIFPVBQESA-N 307.354 -0.034 50 20 DBGD O=C(CN1CCCCCCC1=O)NNC(=O)[C@@H]1CCC(=O)N1 862452199 UHMKNEHTIAEIFP-JTQLQIEISA-N 310.354 -0.795 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c2n[nH]cc2c1 862453052 IJPJJKNWLWIEAW-SNVBAGLBSA-N 301.306 -0.089 50 20 DBGD O=C(CCSc1ccccn1)NNC(=O)[C@@H]1CCC(=O)N1 862455608 HQQBKWPFEKOBGJ-VIFPVBQESA-N 308.363 -0.010 50 20 DBGD C[C@H]1CCCc2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)n21 862463967 POTZVMCUHLSUMS-IUCAKERBSA-N 305.338 -0.180 50 20 DBGD O=C1[C@H](NCc2cccc(B(O)O)c2)CCN1C1CCOCC1 877077937 WSUOSOSTUWUYCV-OAHLLOKOSA-N 318.182 -0.764 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN1CCC[C@@H]1C 897482817 FXRDCRUXKSBRCM-RYUDHWBXSA-N 316.402 -0.147 50 20 DBGD COc1ccc(S(=O)(=O)NCCC(=O)NN)cc1OC 916665823 YHHAVAHIOTXXDC-UHFFFAOYSA-N 303.340 -0.638 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCCN(C(C)=O)C1 920862795 KUOBBYDXOWVOBF-NSHDSACASA-N 300.359 -0.388 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNc1nncc(N)c1Cl 1116296696 ZCNYOCMAUZNZOW-RXMQYKEDSA-N 322.778 -0.229 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1 1116364105 WTIGLODFCCUCKV-ZETCQYMHSA-N 311.454 -0.721 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NOC[C@H]1CCOC1 1116749172 BKPXYHLMLAUSHA-UWVGGRQHSA-N 305.331 -0.664 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCc2nncn2C1 1117715588 CMKATQLEIGCNGV-LLVKDONJSA-N 300.322 -0.374 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@H]1CN(C)CCO1 1118185485 DQUPDBRLUFQCHB-NNYUYHANSA-N 314.386 -0.539 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCNC1=O 1261760703 RHBJGJQCKYQDGX-JTQLQIEISA-N 301.306 -0.840 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2CC[C@H](N)C2)C[C@@H]1Br 1261772290 UVRQCBSSYQBTND-LAEOZQHASA-N 304.188 -0.164 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1nnc(O)c2ccccc12 1322814551 AWWBVSAHTKVKQW-JTQLQIEISA-N 318.289 -0.488 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 1323453041 CQRYOEYIFHNCKZ-RKDXNWHRSA-N 314.342 -0.721 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)n1 1331768454 ZDFNCQZFTXUKOV-JTQLQIEISA-N 319.321 -0.937 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cccnn1 1333129313 YWEMFTNJZYZLIX-UHFFFAOYSA-N 324.341 -0.055 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)Cn1cnc2ccccc21 1340188255 MWUJVDGDEUQSFM-UHFFFAOYSA-N 313.321 -0.065 50 20 DBGD C[C@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)C(=O)O)C1 1594380775 VWPSSQLANYYXPN-VIFPVBQESA-N 300.359 -0.088 50 20 DBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1604464558 VMGVWNLUBQCCPR-GFCCVEGCSA-N 311.250 -0.155 50 20 DBGD C[C@H](N)CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605436914 MNPIPMRCLYKJKO-QMMMGPOBSA-N 318.341 -0.452 50 20 DBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1O 1606123982 DNCSAKOZLHMBRV-UHFFFAOYSA-N 302.258 -0.849 50 20 DBGD NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl 1796808463 FOLWPNWMXFGPOT-CVPUBMOQSA-N 306.769 -0.555 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)C1=NN(C)C(=O)CC1 55353799 LPZUYMMUWPPHRR-UHFFFAOYSA-N 318.333 -0.007 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccnn2C)C[C@@H](C)O1 111545221 OITYVYDOKYETFL-GHMZBOCLSA-N 309.370 -0.320 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 298080171 JLKZBJBGDUBXGW-UHFFFAOYSA-N 314.386 -0.399 50 20 DBGD O=C1C[C@@]2(CCCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)CN1 584954549 GANJUASHPLGWDB-HNNXBMFYSA-N 320.129 -0.752 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](Cn2ccnn2)C1 584965038 KIMQHDXGXNCXFT-LBPRGKRZSA-N 314.154 -0.490 50 20 DBGD CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(B(O)O)cc4)[C@H]1[C@H]3C2 584988474 OPYDGKMJXAICKA-FONWIUJUSA-N 301.151 -0.138 50 20 DBGD CN1CCC[C@@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 584992533 MDRMAPBGQQBAQQ-MRXNPFEDSA-N 302.183 -0.076 50 20 DBGD CO[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCOC1 585008203 LWAWMIYNAHVSSP-GXFFZTMASA-N 311.118 -0.713 50 20 DBGD Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(B(O)O)o2)cn1 585037234 UVIVFKMAEJSLOR-GXTWGEPZSA-N 305.143 -0.297 50 20 DBGD O=C1CCc2cc(Cl)c(S(=O)(=O)NCB(O)O)cc21 585059365 KTTFTHYPEDZDOL-UHFFFAOYSA-N 303.532 -0.241 50 20 DBGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)C(C)(C)C 728958444 LEMBXQPJRLHIBW-UHFFFAOYSA-N 308.404 -0.308 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)NC(C)C)cc1C(N)=O 745099235 LOZKNIUPKVYTMA-UHFFFAOYSA-N 314.367 -0.005 50 20 DBGD CC[C@H](C)NC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 749764344 BYCQETGRHFKPQD-YUMQZZPRSA-N 308.429 -0.350 50 20 DBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)CC2CC2)cc1C 757824198 XQHUXOZHSLFXBS-UHFFFAOYSA-N 308.342 -0.110 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCC1(C)OCCO1 760162745 KCGUICFGJGSIBN-SNVBAGLBSA-N 319.358 -0.479 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)c1 764156337 CHNFOAGXQLYJGK-AWEZNQCLSA-N 313.361 -0.291 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cnn(-c2ccccn2)c1C 765062712 YBGYDOBXICVYPD-UHFFFAOYSA-N 310.339 -0.302 50 20 DBGD O=C1COc2ncc(C(=O)NNC(=O)NCC3CC3)cc2N1 770712203 XJLHOYXGPFAWEO-UHFFFAOYSA-N 305.294 -0.234 50 20 DBGD CC(=O)NCC[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 805821515 APHJNSGJFVURIF-GFCCVEGCSA-N 310.398 -0.218 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@@H]1C(=O)O 826753800 FURUTSWVCKCRRN-VHSXEESVSA-N 301.343 -0.646 50 20 DBGD COc1cc(C)nc(NNC(=O)Cn2cc(C(=O)O)nn2)n1 831972390 JONLAIRVKYIICW-UHFFFAOYSA-N 307.270 -0.773 50 20 DBGD Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCCN)CC2 841295090 VIBWMRUUHAMFBL-UHFFFAOYSA-N 304.350 -0.230 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccnn1CC1CC1 853303402 MRNNLCFSAMRYFD-SECBINFHSA-N 313.383 -0.319 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCNC1=O 856791491 OGHAHPKTTNKACI-VIFPVBQESA-N 306.322 -0.609 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858097179 CSEGCMSYGFEYPU-JTQLQIEISA-N 319.321 -0.751 50 20 DBGD Cn1nc(C(=O)NNC(=O)C(=O)N2CCCC2)c2ccccc21 858936409 YOTAKZGPOARJLB-UHFFFAOYSA-N 315.333 -0.043 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNCC(F)(F)C(F)(F)F 863094677 ONAWOPJXABGYPS-UHFFFAOYSA-N 320.218 -0.943 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C(F)(F)C1(O)CCCC1 863465065 RKUUJUUAGJMSFJ-UHFFFAOYSA-N 314.310 -0.881 50 20 DBGD C#CCCCC(=O)NNC(=O)Cn1nc2ccccn2c1=O 887140875 WKXHSQVVXNNHKI-UHFFFAOYSA-N 301.306 -0.553 50 20 DBGD CC[C@@H](CN1CCOCC1)NC(=O)c1ccc(B(O)O)cc1 928636649 TVBHVCRFZGESSI-AWEZNQCLSA-N 306.171 -0.793 50 20 DBGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1117096382 CXXZUCWMUOJETK-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCl 1253969035 YRLSIBLKTYMYSI-LLVKDONJSA-N 311.769 -0.056 50 20 DBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 1319092366 FERAQZWREQIRKK-MRVPVSSYSA-N 317.371 -0.813 50 20 DBGD Cc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)[nH]1 1319919241 YBJHATOHVCBBHS-SECBINFHSA-N 314.367 -0.237 50 20 DBGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1C 1320240465 ABANPZPKIDIPJX-UHFFFAOYSA-N 307.306 -0.334 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 1320509899 BXCXLLGNKMBDET-UHFFFAOYSA-N 304.306 -0.315 50 20 DBGD Cc1nnc(NNC(=O)C2=NN(CC(C)C)C(=O)CC2)nc1O 1321228466 BHDXXPCWMDQYHX-UHFFFAOYSA-N 321.341 -0.037 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(C(N)=O)c[nH]1 1330117937 BYWNUYIUUSMXRE-UHFFFAOYSA-N 313.383 -0.399 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C[C@@H](C)O1 1341508539 NUXZZXVLULNIPF-JGPRNRPPSA-N 312.370 -0.105 50 20 DBGD COc1ccnc(NNC(=O)c2cn(CC3(C)COC3)nn2)n1 1342448672 KWWBZIJOSQGZGA-UHFFFAOYSA-N 319.325 -0.130 50 20 DBGD Cn1ncnc1C=NNC(=O)C1CCN(c2ncccn2)CC1 1349294409 HCCRBIWBVIEAAG-UHFFFAOYSA-N 314.353 -0.028 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 1514633788 WNYZFSUFJPGPJN-LBPRGKRZSA-N 303.322 -0.136 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCN1)n1nnc(-c2ccccc2)n1 1575069641 OKJSMQGTYLOCSY-ONGXEEELSA-N 315.337 -0.590 50 20 DBGD CC(C)(C)C(=O)NCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1589080434 YRLMFOSGUQMPKL-UHFFFAOYSA-N 318.341 -0.133 50 20 DBGD CN1CC[C@](C)(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1=O 1591178207 GDEYDQBEFINRTG-CYBMUJFWSA-N 316.325 -0.427 50 20 DBGD CN(C)N(C(=O)[C@H]1CC[C@H]1C(=O)O)[C@H]1CCS(=O)(=O)C1 1593704219 QKRMJLUKCIVMNB-LPEHRKFASA-N 304.368 -0.411 50 20 DBGD COCCCNC(=O)NNC(=O)c1csc(C(=O)O)n1 1599227215 QDWRSJRNDBNFIR-UHFFFAOYSA-N 302.312 -0.178 50 20 DBGD Cc1csc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)c1 1600648842 YFGRGNTXXMIRDJ-UHFFFAOYSA-N 309.307 -0.193 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)NCC(=O)O 1610006818 GMEZJFMWYDXKKP-MRVPVSSYSA-N 303.388 -0.766 50 20 DBGD Cc1nc(S)sc1CC(=O)NNC(=O)C(=O)NC1CC1 48390995 PTBSBVKRHPCMLQ-UHFFFAOYSA-N 314.392 -0.291 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)COc1cccc(C)c1 53003870 IXQQFAWYJGUCCQ-UHFFFAOYSA-N 314.363 -0.044 50 20 DBGD CC(C)[C@@H](C(=O)NNc1ncccn1)N1CCCS1(=O)=O 269445358 JYFBGUZGRBRUMJ-JTQLQIEISA-N 313.383 -0.020 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)OCC(F)(F)F)[nH]n1 270634918 JTGXLXOMIOIHIV-UHFFFAOYSA-N 323.231 -0.232 50 20 DBGD CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)C(C)(C)O 365602371 RVRVGZWMRLEFBR-CYBMUJFWSA-N 319.361 -0.122 50 20 DBGD CN(C)[C@@H](CNC(=O)c1ccc(B(O)O)cc1)c1cccnc1 584960193 JKHCDHJVJZHOHZ-HNNXBMFYSA-N 313.166 -0.206 50 20 DBGD CN1CC[C@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)[C@@H]2C1 584972218 QHDWUZPIFVMNGZ-IINYFYTJSA-N 306.146 -0.328 50 20 DBGD C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(B(O)O)ccc1F 584976863 MUDHDZCMJQITCH-SECBINFHSA-N 324.161 -0.119 50 20 DBGD C[C@@H](CN1CCOCC1)N(C)C(=O)c1ccc(B(O)O)cc1 584984204 VQJYNYHIIQXNKV-LBPRGKRZSA-N 306.171 -0.841 50 20 DBGD Cc1nc([C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)n[nH]1 584998748 CFXQSQMMXJAPGB-LLVKDONJSA-N 300.127 -0.577 50 20 DBGD CCOc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 585058638 LNYXHLALXLNILQ-VIFPVBQESA-N 300.145 -0.282 50 20 DBGD COC(=O)c1ncn(CC(=O)NNC(=O)c2ccccc2)n1 728148428 CKHNOOBSEMHLOD-UHFFFAOYSA-N 303.278 -0.474 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(OCC(N)=O)c1 732086864 LJYYHKNENAOUAB-UHFFFAOYSA-N 317.305 -0.343 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735857233 PSOVGNPFOJDUAR-UHFFFAOYSA-N 317.353 -0.032 50 20 DBGD Cn1nccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 749564021 PICXXRCVGDZWCF-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD CCOC(=O)/C(C#N)=C/NNC(=O)CNC(=O)c1ccco1 751263059 UMZYTNFTRVEICV-VQHVLOKHSA-N 306.278 -0.399 50 20 DBGD COc1ccnc(NNC(=O)NC[C@@H](C)S(C)(=O)=O)n1 754675126 MOWWYZHGLGBHSI-SSDOTTSWSA-N 303.344 -0.456 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 758103539 JAKRVBLTDKUSFV-UHFFFAOYSA-N 305.254 -0.322 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)c(CC(=O)O)c1 774615082 HIGGTABDTNXRAL-UHFFFAOYSA-N 317.323 -0.555 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)cc1 779843928 FFQIAAFXFMFZGW-UHFFFAOYSA-N 301.324 -0.339 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 783524843 SXFSWYZYYQWIJW-GHMZBOCLSA-N 318.395 -0.490 50 20 DBGD COCCNC(=O)c1cccc(NC(=O)NNC(=O)COC)c1 806625446 GDQISIIGRNGXLQ-UHFFFAOYSA-N 324.337 -0.138 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)N2CCN(C)CC2)c(O)n1 807380111 BTCVRVNZKSYEHI-UHFFFAOYSA-N 322.369 -0.670 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C 819875794 IIBCEKZYIUMOOK-KXUCPTDWSA-N 305.400 -0.102 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1C[C@H]1C(=O)O 833120425 ZNIGESLJWVQTGA-NXEZZACHSA-N 302.290 -0.255 50 20 DBGD O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CC(=O)N(C2CC2)C1 852193495 PVEFWYPIMPCDBC-MRVPVSSYSA-N 321.312 -0.072 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)COc1ccc(F)cc1 854215348 GNBRKZVHZPERBD-UHFFFAOYSA-N 318.326 -0.213 50 20 DBGD O=C(NNC(=O)[C@@H]1CCNC1=O)Nc1ccc2c(c1)OCO2 854378424 PSNAPFDSGGZXSH-MRVPVSSYSA-N 306.278 -0.296 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CN1CCOCC1=O)C1CC1 855097020 HVYQLMVWSXEICI-MRVPVSSYSA-N 300.384 -0.861 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cc[nH]n1 855361808 JFLAETVEJPTJLI-SECBINFHSA-N 305.338 -0.038 50 20 DBGD CCOCCn1cc(C(=O)NNC(=O)NCCCOC)cn1 857708718 VRHFBCJHFBRXAW-UHFFFAOYSA-N 313.358 -0.100 50 20 DBGD O=C1N[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCO1 858122526 WNDQDXIIVNMRNL-KWQFWETISA-N 321.289 -0.528 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC2(CCC2)O1 858701068 AVCMCSGCHNJNGH-ZJUUUORDSA-N 310.354 -0.351 50 20 DBGD C[C@@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)COc2ccccc2O1 862463737 KTJIXPGUAQIXLO-PSLIRLAXSA-N 319.317 -0.358 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1[N+](=O)[O-] 863459173 ODZUCHBAULXESG-UHFFFAOYSA-N 315.307 -0.291 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 873765967 SDLSLESZVSAQCU-RNFRBKRXSA-N 324.328 -0.018 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(F)c(F)c1 885110549 HWCGSGDAGNJMAU-UHFFFAOYSA-N 300.265 -0.340 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)CN1CCCC1=O)c1ccccc1 913733612 PAMKVNWURCLASN-HNNXBMFYSA-N 305.334 -0.336 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(CO)cc1 1317732090 CNDDIVIBLXASHN-NSHDSACASA-N 312.347 -0.625 50 20 DBGD CCCCOc1ccc(NC(=O)C(=O)NNC(=O)CCO)cn1 1320506144 HVMFSROUPOAMIJ-UHFFFAOYSA-N 324.337 -0.271 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)OC)cc1 1321184846 KXIUQLLJSRFZKF-UHFFFAOYSA-N 301.324 -0.476 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc2cnn(C)c2c1 1324718385 PAXCSLRSFSNMKZ-UHFFFAOYSA-N 305.294 -0.423 50 20 DBGD COCCCN1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1 1328783637 QCJSCSIQURLZNK-UHFFFAOYSA-N 324.385 -0.145 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1 1331336474 BSRJFSDNBZGYAX-GFCCVEGCSA-N 305.338 -0.425 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 1338003991 FZJTYEOYDWITTL-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD COC(=O)Nc1cccc(CNC(=O)NNC(=O)C(=O)OC)c1 1346644789 BIYRPEMATZFJJB-UHFFFAOYSA-N 324.293 -0.132 50 20 DBGD C[C@]1(NNC(=O)NC[C@H]2CCCCCN2)CCS(=O)(=O)C1 1346701514 QQUIHFPQFHCAFA-YPMHNXCESA-N 318.443 -0.100 50 20 DBGD C[C@H](N)[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1576105998 ZBUZRKAGJCTAFH-VHSXEESVSA-N 315.418 -0.005 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2NCCOc3ccccc32)N1 1580843689 MPJHQFDMHGOVMO-ZWNOBZJWSA-N 318.333 -0.864 50 20 DBGD CC[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCNC1=O 1590488641 AZMSLGUMHHZCFP-ZDUSSCGKSA-N 316.325 -0.379 50 20 DBGD O=C(NN=Cc1nc(-c2nn[nH]n2)cs1)N1CCOCC1 1593154678 BHMWVFNYPLECQV-UHFFFAOYSA-N 308.327 -0.301 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CCC1)c1ccc(-c2nn[nH]n2)cc1 1593154998 UNKQNDJYAMVXFW-LLVKDONJSA-N 316.321 -0.211 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)O 1593692056 NTSUWQGRLGSGML-UHFFFAOYSA-N 308.294 -0.968 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)C(=O)NC2CC2)c(C)c1C(=O)O 1599954125 YTMBJSYBBANFDF-UHFFFAOYSA-N 308.294 -0.631 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1ccc(Cl)cc1O 1604434546 LZQNNAIUYWHNPX-MRVPVSSYSA-N 302.670 -0.094 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[nH]n2)cc1 1606852012 VOARJEPKHHOGDQ-JTQLQIEISA-N 318.293 -0.957 50 20 DBGD C/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783057316 SLWUIDPCXXLKKF-ILUUYBRNSA-N 316.785 -0.008 50 20 DBGD C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362680 HOFFQSZVOLQHSO-QUARPLMYSA-N 321.780 -0.295 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cccc(C(=O)OC)c1 49152402 SNSSAENUFIGQHR-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD O=C(CN1CCC(N2CCCC2=O)CC1)NNC(=O)C1CC1 112980383 BPFBRHSJTKYKOB-UHFFFAOYSA-N 308.382 -0.369 50 20 DBGD Cn1cc(C(=O)NN/C=C2\C(=O)NC(=O)c3ccccc32)cn1 255544779 KWQOOBUVXGCILT-GHXNOFRVSA-N 311.301 -0.034 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)N1CCOCC1 584942921 ZYUBKICXZDUUHH-NWDGAFQWSA-N 306.171 -0.795 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 584959073 WLMLLTYLAOLVNL-UONOGXRCSA-N 305.139 -0.614 50 20 DBGD C[C@H](O)CN1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C)C1 584978471 ZLEIPMSPMUGQMB-QWRGUYRKSA-N 324.161 -0.967 50 20 DBGD CC(C)(C)CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584983361 WJLXFXHIAFBUET-GFCCVEGCSA-N 324.161 -0.085 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 584986156 BTPHMHJUUKSIKU-OJPGXSPBSA-N 305.114 -0.653 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](c2nc(O)n[nH]2)C1 584986497 FYRKZJWITVWCGX-JTQLQIEISA-N 316.126 -0.790 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584999129 DGLKGTFNIWEVRP-MGCOHNPYSA-N 322.145 -0.473 50 20 DBGD CC(C)CN1CCO[C@H](CNCc2ccccc2B(O)O)C1 585015863 BLBJKVUQNGPLEH-OAHLLOKOSA-N 306.215 -0.187 50 20 DBGD OC[C@H](C[C@H](O)c1ccccc1)NCc1cccc(B(O)O)c1 585034750 NKSPJZULKLYWJQ-IRXDYDNUSA-N 315.178 -0.059 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)o1 585042204 LFCLNAMQMWJWCR-RISCZKNCSA-N 309.171 -0.383 50 20 DBGD O=S1(=O)CCC[C@@H]1CNCc1ccc(B(O)O)cc1F 585044611 OBMIMCHYLXJKLP-LLVKDONJSA-N 301.148 -0.828 50 20 DBGD CCOCC(C)=NNC(=O)CSc1nnc(O)nc1O 726423841 LSIJXSVINKAMKV-UHFFFAOYSA-N 301.328 -0.097 50 20 DBGD CC(C)[C@H](C#N)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 733197952 FKSWJZKJCJBJJW-ZDUSSCGKSA-N 307.398 -0.290 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCNC(=O)C(C)C 748614639 JZHCQJJWKYNPFI-SNVBAGLBSA-N 318.374 -0.860 50 20 DBGD C[C@]1(O)CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 748832450 JIKVLZXPTROEDZ-AWEZNQCLSA-N 322.321 -0.188 50 20 DBGD NC(=O)NC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 750825064 FREMTLDKSLDJBN-UHFFFAOYSA-N 319.365 -0.420 50 20 DBGD COC(=O)[C@H]1COCCN1[C@H](C)C(=O)NNC(=O)CC(C)C 752311920 UPRVTQXAILBGQZ-GHMZBOCLSA-N 315.370 -0.558 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C1=NN(C)C(=O)CC1 761788987 AAHXEAHYBHJOFK-UHFFFAOYSA-N 315.399 -0.531 50 20 DBGD COc1ccccc1C(=O)NNC(=O)Cn1cc([C@@H](C)O)nn1 763043076 CCGWXAVWKOIESH-SECBINFHSA-N 319.321 -0.199 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 764420380 FMWOASIJOIWDQQ-UHFFFAOYSA-N 305.212 -0.216 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1ccc([N+](=O)[O-])n1 772024283 XBLDNUUCEFSUGB-SSDOTTSWSA-N 313.270 -0.720 50 20 DBGD CCOCCONC(=O)NNC(=O)CNC(=O)c1ccco1 773270006 YMQSKFOZSRNYRM-UHFFFAOYSA-N 314.298 -0.692 50 20 DBGD COC(=O)CNC(=O)NN=C1CCN(c2cnccn2)CC1 779823948 UVZRYSZLWPODMY-UHFFFAOYSA-N 306.326 -0.095 50 20 DBGD CCN(C)C(=O)[C@@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 788890171 MGAXSESWXJSPOY-SKDRFNHKSA-N 320.415 -0.766 50 20 DBGD COc1nccnc1NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O 791225856 QRWQEUOLMBFAKJ-YUMQZZPRSA-N 302.356 -0.003 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](N2CCOCC2)C[C@H]1C 796381452 ZAQFGLYSYNYGBS-FRRDWIJNSA-N 312.414 -0.273 50 20 DBGD C=CCC(F)(F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 815101478 ALDFNNDURULLPD-ZETCQYMHSA-N 311.310 -0.285 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 822669450 KGTYDFIWAICWFV-UHFFFAOYSA-N 301.270 -0.997 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOC[C@H]1CCCO1 826015535 AEBQSJYRXPFCCX-TUAOUCFPSA-N 315.370 -0.063 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@H]1CCC(=O)N1 831790188 JHJAAGLVHMLGEA-MRVPVSSYSA-N 314.342 -0.673 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NN=c1cc[nH]cc1Cl 832242561 HSITVRCOWQVACP-SSDOTTSWSA-N 306.775 -0.072 50 20 DBGD CCC[C@@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)OC 838640235 MPFTVTFHQWIAQR-JTQLQIEISA-N 300.359 -0.246 50 20 DBGD CCOC(=O)Cn1ccc(NC(=O)NNC(=O)CN(C)C)n1 847250814 WNPUOVRXEBJOCA-UHFFFAOYSA-N 312.330 -0.840 50 20 DBGD O=C1N[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCO1 858219016 WAAQTXATBWTDMR-VIFPVBQESA-N 321.289 -0.283 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC2(CCC2)O1 858701066 AVCMCSGCHNJNGH-UWVGGRQHSA-N 310.354 -0.351 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2COCCN2)c1 861681851 SEYZNXBWIRJWMX-GFCCVEGCSA-N 322.365 -0.307 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC(=O)c3ccccc32)N1 862458605 GWHRMBHNVWTEMY-GHMZBOCLSA-N 301.302 -0.217 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCc3ccccc3O2)N1 862458899 GCWILUGGQZWIHF-ZYHUDNBSSA-N 303.318 -0.194 50 20 DBGD O=C(CN1CCCCS1(=O)=O)NNC(=O)CC(F)(F)F 878345247 NVPCAQDQGFPLTI-UHFFFAOYSA-N 317.289 -0.488 50 20 DBGD Cc1cccc(OCC(=O)NNC(=S)NCC(=O)N(C)C)c1 918717130 JXHXTRUSVKHTIK-UHFFFAOYSA-N 324.406 -0.043 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cncn1-c1ccccc1 919693594 DFBMDDDEYHILTQ-UHFFFAOYSA-N 322.346 -0.322 50 20 DBGD CCCCNC(=O)NNC(=O)CN(C)CC(=O)NC(C)C 920766626 ODCMGODAGAHCGE-UHFFFAOYSA-N 301.391 -0.427 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H]1COCCC1(OC)OC 931672164 BCMMDJPGIGMGKW-NXEZZACHSA-N 303.359 -0.700 50 20 DBGD COc1ccc(C(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)cc1 1115824094 UFBSPEWCZUDPHK-UHFFFAOYSA-N 316.317 -0.144 50 20 DBGD Cc1nn(C)c(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1118141283 XCUURWIKLGFVTO-VHSXEESVSA-N 323.353 -0.452 50 20 DBGD O=C(NNC(=O)N1CCC2(CC1)OCCCO2)c1cn[nH]c1 1118864962 VIWSFKIOULSDPE-UHFFFAOYSA-N 309.326 -0.007 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccnc1Cl 1320357731 GSSDVMVIPLMYAI-UHFFFAOYSA-N 322.712 -0.213 50 20 DBGD COC(=O)C(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCO3 1322287254 WWFRKFPMURQSJW-UHFFFAOYSA-N 305.246 -0.597 50 20 DBGD CSCC[C@H](O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324086654 RBLCIHFPFIMFRT-ZJUUUORDSA-N 310.441 -0.407 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 1327543917 IRKMFHZELGVAKX-UHFFFAOYSA-N 308.250 -0.657 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCNC(=O)COC 1328086239 LREVVDFWXJFAIV-UHFFFAOYSA-N 320.415 -0.987 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CCN(C3CCC3)CC2)N1 1328800205 QJVYAWXCKPAAIQ-LBPRGKRZSA-N 323.397 -0.388 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)C2=NO[C@@]3(CCNC3)C2)cc1 1580063932 CMUYNHOQSGHPIB-HNNXBMFYSA-N 313.317 -0.172 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCNC3(CCC3)C2)N1 1580843632 KXGCEHXJJAWVFC-VHSXEESVSA-N 309.370 -0.730 50 20 DBGD Cc1cccc(NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 1592235522 PUNWAUJQYPIWQA-UHFFFAOYSA-N 300.286 -0.695 50 20 DBGD C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)C(=O)O 1594542448 NSEUAZJDBRSJEL-CMPLNLGQSA-N 320.349 -0.078 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594702398 ZNRUOCFIQYUIQN-SNVBAGLBSA-N 323.261 -0.852 50 20 DBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)C(=O)N1CCCC1 1594779169 KLOIVBAAGCDKCF-JTQLQIEISA-N 311.338 -0.353 50 20 DBGD COC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 1598884253 RJILZEQDQSUWEN-VIFPVBQESA-N 323.261 -0.748 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 272367176 UBUIOTDRBPXYQO-UHFFFAOYSA-N 310.266 -0.354 50 20 DBGD COCCN1C[C@H](C(=O)NNc2nc3ccccn3n2)CC1=O 276849348 OCDGLXHMTZLNAV-SNVBAGLBSA-N 318.337 -0.333 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cn(C)nn2)C[C@H](C)O1 289436967 WEDVUICMFHUWRX-UWVGGRQHSA-N 310.358 -0.925 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCNC(=O)[C@@H]1C 298091123 KRPIPDKNZMGWIF-LBPRGKRZSA-N 318.377 -0.495 50 20 DBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)N1CCOCC1 299403475 WQJILOPCDVCGHJ-SECBINFHSA-N 310.310 -0.529 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C#N)cc1 299416836 BJKPLRVTKSIDFS-QMMMGPOBSA-N 310.335 -0.743 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN(S(=O)(=O)NC)CC1 491159304 IHNARKGXJZSHOR-MDZDMXLPSA-N 302.356 -0.961 50 20 DBGD O=C(COc1ccc(B(O)O)cc1)NC(=O)NC1CCCCC1 584909016 ABXCIBMXBDSAIJ-UHFFFAOYSA-N 320.154 -0.096 50 20 DBGD C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(B(O)O)c(F)c1 584944866 CVOFNBQYAHDREP-ZYHUDNBSSA-N 306.146 -0.186 50 20 DBGD COC1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCOCC1 584965996 XMKAFDJXKIFIRZ-UHFFFAOYSA-N 311.118 -0.569 50 20 DBGD O=C(N[C@H]1CCn2ccnc2C1)c1ccc(B(O)O)c(F)c1 584973037 COSCBHUYCUPPAD-JTQLQIEISA-N 303.102 -0.553 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](Cn2ccnn2)C1 585007762 HLABHNRWOJJJEA-SNVBAGLBSA-N 318.117 -0.741 50 20 DBGD O=C1CC[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CN1 585052665 UARCSYUWFKUIAO-SECBINFHSA-N 301.111 -0.515 50 20 DBGD COc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1OC 728823528 FVKOIWWGIQSGAK-UHFFFAOYSA-N 316.335 -0.491 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNc1nc2ccccc2c(=O)n1C 733263493 FYGRVNKIRYDMCF-MRVPVSSYSA-N 303.322 -0.099 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)c1cnn(C)c1 735579209 HLJDDLFERYXDDK-UHFFFAOYSA-N 312.374 -0.668 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C 736310463 ZGIATBOZGMULIF-UHFFFAOYSA-N 310.339 -0.105 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](C(=O)O)C1 736402625 SFTDBWOUIATCML-NXEZZACHSA-N 301.343 -0.646 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)cc1 739129220 RJCKORCXTOXEED-WDEREUQCSA-N 303.274 -0.195 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)N1CCOCC1 745985952 DVKOIQRQXFIMEQ-JTQLQIEISA-N 312.370 -0.246 50 20 DBGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)N(C)C 753294348 CYAUDJSORAFWCY-UHFFFAOYSA-N 318.355 -0.246 50 20 DBGD O=C(Cc1ccc2c(c1)COC2)NNC(=O)C(=O)NC1CC1 754884659 RKAJLVHYGIRZPW-UHFFFAOYSA-N 303.318 -0.315 50 20 DBGD NC(=O)C(=O)NN=Cc1cn(-c2ccc(F)cc2Cl)nn1 755491938 UDPGKNPMPSPTCA-UHFFFAOYSA-N 310.676 -0.005 50 20 DBGD O=C(CO)NNC(=O)Nc1cccc(N2CCCNC2=O)c1 756793170 SXOQRTNUCUFFGE-UHFFFAOYSA-N 307.310 -0.249 50 20 DBGD N#CCCN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 760943336 KOAUMNSNACEUPU-UHFFFAOYSA-N 315.377 -0.021 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1c(C)cccc1F 775289135 RXVJDJDAQCGUIQ-UHFFFAOYSA-N 319.314 -0.200 50 20 DBGD C[C@@H]1OCC[C@@]12CN(CC(=O)NNC(=O)C1CC1)C[C@@H](C)O2 790396930 SZPLQZVDWLAAAN-JRPNMDOOSA-N 311.382 -0.188 50 20 DBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)S1(=O)=O 805772652 MLRDIDLOPMWJIC-MWLCHTKSSA-N 317.411 -0.559 50 20 DBGD Cn1cnn(CC(=O)NNc2nc3ccccc3n2C)c1=O 816577026 SIFBQSKLZJWMIN-UHFFFAOYSA-N 301.310 -0.388 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 839483019 SQGUQQWWTVXNIZ-GHMZBOCLSA-N 308.294 -0.080 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 848373277 AXKAYPASWRYAGT-VIFPVBQESA-N 322.383 -0.500 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1C[C@@H]1C(=O)OC 854280805 DKXBYMCMHBBTLN-BDAKNGLRSA-N 303.384 -0.331 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCNC2)cc1 861706547 XJJZJISTVKWPHH-LLVKDONJSA-N 303.322 -0.371 50 20 DBGD C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462847 TZNOWBXUVLJLBL-JOYOIKCWSA-N 319.317 -0.308 50 20 DBGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CS(C)(=O)=O 863460877 NWFSCDSFQWLXHY-VHSXEESVSA-N 322.383 -0.847 50 20 DBGD O=C(CNS(=O)(=O)c1cccc(F)c1)NNC(=O)C1CC1 913415777 HUTJLPGWFFJUPQ-UHFFFAOYSA-N 315.326 -0.339 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 1116618068 FUSGITSKMNEVDE-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@]2(F)CCOC2)C[C@@H](C)O1 1117332008 GVPIFULLDCFIDP-WDMOLILDSA-N 317.361 -0.238 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC2(CC1)C[C@H](O)CCO2 1119934295 JMNRGSSOFFJWPM-GFCCVEGCSA-N 313.398 -0.204 50 20 DBGD O=C(NNS(=O)(=O)CCOCC1CC1)c1cnccn1 1261424920 KEHXVJYSDRTPPD-UHFFFAOYSA-N 300.340 -0.533 50 20 DBGD COc1ccc(C(=O)NNC(=O)CCNS(C)(=O)=O)cc1 1317992640 DZYSKPXVSUDQDD-UHFFFAOYSA-N 315.351 -0.605 50 20 DBGD CNC(=O)NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 1318010276 WFDUCVVBQOVEDR-UHFFFAOYSA-N 305.294 -0.582 50 20 DBGD CNC(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 1318157052 NNWGKDZIXQISNL-UHFFFAOYSA-N 317.396 -0.858 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc(N3CCCC3)nn2)c1=O 1319352981 PZRWOJYRKHLKIT-UHFFFAOYSA-N 315.337 -0.073 50 20 DBGD Cc1cnc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1 1326833370 VZWIYTPWMFFWOX-YUMQZZPRSA-N 312.351 -0.038 50 20 DBGD COc1ccc(C(=O)NNC(=O)NC[C@H]2COCCN2)cc1 1329054075 JVGCVKBULBDMBC-NSHDSACASA-N 308.338 -0.372 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 1345734036 VIEFAQFODRGZSK-VWYCJHECSA-N 312.370 -0.247 50 20 DBGD Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1349542875 LBOXDYNCGMCWOF-SECBINFHSA-N 316.321 -0.614 50 20 DBGD O=C(NN=C1CCS(=O)(=O)C1)[C@@H]1CN2CCC[C@H]2CO1 1549316493 GYINRGIQPVLCQS-QWRGUYRKSA-N 301.368 -0.860 50 20 DBGD C=CCNC(=S)NNC(=O)Cn1cccc(C(=O)O)c1=O 1573368999 SSRIAOIIWXLFBT-UHFFFAOYSA-N 310.335 -0.772 50 20 DBGD CN1CCNC[C@H]1C(=O)NNC(=O)c1nc2ccccc2s1 1578538742 RAEODXIXPKMMLQ-JTQLQIEISA-N 319.390 -0.039 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1592926419 OSUNTUXSABMNKF-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD O=C(O)c1ccc(NNC(=O)c2ccc3c(c2)COB3O)nc1 1602382913 JHJXPKAZQKOQSU-UHFFFAOYSA-N 313.078 -0.246 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1606411654 YTAYGIGJGFXAAJ-YUMQZZPRSA-N 302.298 -0.784 50 20 DBGD O=C(N[C@H](C(=O)O)c1ccc(O)cc1)c1ccc(B(O)O)cc1 1608385839 IKRDPGUUFJQSIA-ZDUSSCGKSA-N 315.090 -0.372 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1OC 32661059 GVAJIBSQIAOUTL-LBPRGKRZSA-N 310.306 -0.120 50 20 DBGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)nnn1C 266558949 JGUXBRIFSPCTBL-UWVGGRQHSA-N 324.385 -0.616 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1 266758310 FWBVZKONSMUTFV-GFCCVEGCSA-N 311.313 -0.318 50 20 DBGD NC(=O)[C@@H]1CSCCN1CC(=O)NNC(=O)c1ccccc1 272283429 QQQMARHVESVXOL-NSHDSACASA-N 322.390 -0.650 50 20 DBGD C=CCOCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273354565 BORYOKRGFUTMRY-SECBINFHSA-N 307.372 -0.946 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCn1cnc2sccc2c1=O 276195160 FDLJBSRWUZWQIV-UHFFFAOYSA-N 324.362 -0.234 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)NC(C)C 279611777 TYEKBHJREHRGGU-AWEZNQCLSA-N 310.354 -0.353 50 20 DBGD C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)O1 282343923 ZUZGTNKUMGAOBQ-LNLATYFQSA-N 309.322 -0.030 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)N1CCOCC1 299365257 JRTMPFHXXSMVHB-VIFPVBQESA-N 301.347 -0.714 50 20 DBGD OB(O)c1ccc(OCc2nnnn2C2CCOCC2)cc1 584910595 QYPHGFGKLRZLAP-UHFFFAOYSA-N 304.115 -0.717 50 20 DBGD Cc1cc(C)n(CCCNC(=O)c2ccc(B(O)O)cc2)n1 584924550 JUFBFVCOGFYWPP-UHFFFAOYSA-N 301.155 0.000 50 20 DBGD O=C(NCCNC(=O)C1CCCCC1)c1ccc(B(O)O)cc1 584932192 PRFMGVWJMXRFCR-UHFFFAOYSA-N 318.182 -0.207 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584976477 RKKFVVHYLIEHGZ-QWHCGFSZSA-N 311.118 -0.571 50 20 DBGD Cc1cc(NCCNC(=O)c2ccc(B(O)O)c(F)c2)n(C)n1 584982081 CMFSOHBAYHXUOW-UHFFFAOYSA-N 320.133 -0.611 50 20 DBGD O=C(NC[C@H]1CCc2nccn2C1)c1ccc(B(O)O)c(F)c1 584986274 YFSCSCAWCHNUTE-SNVBAGLBSA-N 317.129 -0.306 50 20 DBGD C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(B(O)O)cc1 584988348 LOOBBPMSPPKPCT-SWLSCSKDSA-N 318.182 -0.698 50 20 DBGD CN(C)C(=O)c1cccc(CCNCc2ccc(B(O)O)o2)c1 585029765 UCOABIDQXUTSSC-UHFFFAOYSA-N 316.166 -0.007 50 20 DBGD O=S1(=O)CCC(CCNCc2ccc(B(O)O)o2)CC1 585031531 GOLBZNVYPIGTRG-UHFFFAOYSA-N 301.173 -0.736 50 20 DBGD O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](B(O)O)C1 585060581 GYGUCLVBGMHBLC-SECBINFHSA-N 313.140 -0.305 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 726614227 UVXGFGHYIQBORS-UHFFFAOYSA-N 307.306 -0.257 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O 757634604 VQVYLHUTJTXRQM-RKDXNWHRSA-N 310.354 -0.100 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC 765407808 ATAZTWJRNQMNGZ-UHFFFAOYSA-N 312.282 -0.174 50 20 DBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)NC(C)C)c1 767364298 ZTEHDZDMTQQHOM-UHFFFAOYSA-N 314.367 -0.005 50 20 DBGD C[C@@H](NCC(=O)NNC(=O)c1cccs1)c1ncn(C)n1 781948738 KJFWAXMKKWNAEW-MRVPVSSYSA-N 308.367 -0.012 50 20 DBGD CCNC(=O)CC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 782347631 JFBNYXMIYPVZKZ-UHFFFAOYSA-N 321.333 -0.175 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)n1 785749500 NMNMJFRKDDHZEY-UHFFFAOYSA-N 303.278 -0.339 50 20 DBGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1[C@H]2COC[C@H]21 793449363 YXDZKGCNABCBFU-JZYVYDRUSA-N 322.277 -0.111 50 20 DBGD Cc1c[nH]nc1C(=O)NNC(=O)CNC(=O)c1cccs1 799415165 VNGIXXDYBKLIBM-UHFFFAOYSA-N 307.335 -0.029 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNc1cccc(F)n1 804767802 GRDJHZKFSKCLOQ-UHFFFAOYSA-N 311.317 -0.304 50 20 DBGD CCNC(=O)N(C)NC(=O)c1c(Br)nnn1C 810854064 IJCCTNYFBIWOBC-UHFFFAOYSA-N 305.136 -0.116 50 20 DBGD O=C(NNC(=O)c1ncccn1)c1ccc(-c2nn[nH]n2)cc1 823276965 AFDLXMMWSWZQDM-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD CC(C)C(=O)NNC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 827378380 PEIGHGHVNLJCKZ-ZDUSSCGKSA-N 318.377 -0.298 50 20 DBGD COCCN(C(=O)c1cccc(B(O)O)c1)C1CCOCC1 829735745 UBHMJOCMWKCPHO-UHFFFAOYSA-N 307.155 -0.366 50 20 DBGD CCc1[nH]c(C(=O)NNC(=O)C(=O)NC2CC2)c(C)c1C(=O)O 830197710 ZKUHPWDXJCMCQV-UHFFFAOYSA-N 322.321 -0.377 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 832693666 WTZTXJDMZCPHNF-IUCAKERBSA-N 322.321 -0.399 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1COc2ccccc2O1 839461151 LIVSEEVBXFQPKX-SOCHQFKDSA-N 307.262 -0.361 50 20 DBGD CNC[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 851679819 DQUKJFPYNGKINQ-MRVPVSSYSA-N 313.383 -0.584 50 20 DBGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855358503 MFOWBPUAEUQNIK-VIFPVBQESA-N 311.367 -0.128 50 20 DBGD O=C(Cn1cc2ccccc2n1)NNC(=O)[C@@H]1CCC(=O)N1 862454201 DDDLOCHCNRANSR-NSHDSACASA-N 301.306 -0.538 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N(C)CC(F)(F)F 862459150 NSQVYYUNWKGYQT-RNFRBKRXSA-N 310.276 -0.705 50 20 DBGD COC(=O)C1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 865198069 HBJVBCFKRQICBF-UHFFFAOYSA-N 323.129 -0.033 50 20 DBGD C[C@H](O)CN(C)NC(=O)Cc1ccccc1S(C)(=O)=O 910159050 ZJMJRCYCFKFRLG-JTQLQIEISA-N 300.380 -0.024 50 20 DBGD C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)C(=O)N1CCCC1 1116267117 FJQHPGCYIGXRJO-MNOVXSKESA-N 312.370 -0.246 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1ccncc1 1116509737 AHMYEMQTGIFAJC-TVQRCGJNSA-N 320.349 -0.953 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnc2[nH]cnc2c1 1253811425 HFTQEXCGBUEWRS-SSDOTTSWSA-N 323.334 -0.846 50 20 DBGD N#CCc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1261834202 AQJAHJGZMREWTK-NSHDSACASA-N 322.346 -0.659 50 20 DBGD CCOCC(=O)NNC(=O)NCc1ccc(-n2cncn2)nc1 1318330300 LBWDZAJWZVCYKH-UHFFFAOYSA-N 319.325 -0.471 50 20 DBGD C[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)n1cccn1 1319172978 ZPDKHZNRQNAKII-SECBINFHSA-N 302.294 -0.375 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCC[C@H]1CCO 1321527735 ORNBNTZEPCKVPM-WDEREUQCSA-N 312.370 -0.510 50 20 DBGD Cc1n[nH]cc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1321717768 FGVPJZQHEFWNJU-LLVKDONJSA-N 301.372 -0.401 50 20 DBGD COc1ccncc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326832924 QJMNPXDZSLWWKT-DTWKUNHWSA-N 322.321 -0.399 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)O1 1329056770 XDQKLBJTWRTWDL-DTWKUNHWSA-N 317.309 -0.862 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1c[nH]nc1[C@@H]1CCNC1 1579974843 UIQZPGZLLCOWFL-SECBINFHSA-N 302.338 -0.100 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCNC3)N1 1580843495 HEGGXQSPXCAIKE-LLVKDONJSA-N 318.333 -0.792 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1590232126 CSKWAGUKXCWGOH-QMMMGPOBSA-N 315.326 -0.135 50 20 DBGD COc1c(C)ccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1C 1599333108 VGNRFBFQMPPSRC-UHFFFAOYSA-N 309.278 -0.517 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1604433490 DRYQFJLAGRRJRA-VIFPVBQESA-N 320.261 -0.804 50 20 DBGD O=C(NNC(=O)c1sccc1-c1nn[nH]n1)c1ccnnc1 1606854395 NVWYYDXWKPRXAQ-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD O=C(Cc1ccccc1C(=O)O)NNC(=O)C(=O)N1CCCC1 1608367797 FJQMYZTUZMVWRT-UHFFFAOYSA-N 319.317 -0.303 50 20 DBGD C=C(C)CNC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 138960950 BTBZGMAJMMYGJP-QMMMGPOBSA-N 306.413 -0.572 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)Cc1ccc(F)cc1 270204525 HJHMSTNISWRAEB-UHFFFAOYSA-N 311.313 -0.380 50 20 DBGD COCCCNC(=O)NNC(=O)CC(=O)NCC(F)(F)F 272355563 DHYTYHMLOKJSQP-UHFFFAOYSA-N 314.264 -0.578 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(OCC(N)=O)cc2)O1 294254049 OFBKPQCFOXOSRI-CABZTGNLSA-N 321.333 -0.121 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cc(N2CCOCC2)ccn1 294583761 HUVCKHHTBNFZEN-ZDUSSCGKSA-N 320.349 -0.142 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)c1cccc(OC)c1O 490751050 LYCWUOVWPVUHKO-UHFFFAOYSA-N 311.294 -0.140 50 20 DBGD COC(=O)N[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 495596924 LPPBPVJLTBFGHH-JTQLQIEISA-N 315.374 -0.645 50 20 DBGD CCOC(=O)NCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 495957611 PYLWGDYOQWIQIH-SNVBAGLBSA-N 321.399 -0.385 50 20 DBGD O=C(N[C@H](CCO)C1CCOCC1)c1cccc(B(O)O)c1 584974512 IAUZTBYOEMXXOW-CQSZACIVSA-N 307.155 -0.726 50 20 DBGD C[C@H](CN1CCOCC1)N(C)C(=O)c1cccc(B(O)O)c1 584982624 JAOSJHDZAFACLX-GFCCVEGCSA-N 306.171 -0.841 50 20 DBGD CC(C)[C@@H](NCc1cccc(B(O)O)c1)C(=O)N1CCOCC1 585025919 GSBLJGXJHXAFLZ-OAHLLOKOSA-N 320.198 -0.661 50 20 DBGD COCCO[C@@H]1COCC[C@@H]1NCc1ccc(B(O)O)cc1 585036003 BSZMDYDNWFPFRM-LSDHHAIUSA-N 309.171 -0.724 50 20 DBGD COc1cccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1O 728437196 MWCXXNAZGHSBFZ-QMMMGPOBSA-N 315.351 -0.211 50 20 DBGD CC(=O)NC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 744406185 AIWOKFUEUAJGDC-LLVKDONJSA-N 314.386 -0.983 50 20 DBGD CCOC(=O)CC(=O)CSCC(=O)NNC(=O)C1CC1 758157869 AMJGNWXFFBSOAJ-UHFFFAOYSA-N 302.352 -0.201 50 20 DBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)CNC(=O)c1cccnc1 764344692 HPBHHBPXGUJVBL-SNVBAGLBSA-N 320.349 -0.226 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(O)cc2)n[nH]1 765587523 CONOHNXPHWHAPP-UHFFFAOYSA-N 317.305 -0.385 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CCN(C)C2=O)nc1C 773639454 OKDILUQEKGAGTJ-SECBINFHSA-N 321.337 -0.117 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN1CCCCC1=O 790063550 MEKLMVBATUFCKM-UHFFFAOYSA-N 315.370 -0.065 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(C)n(C)n1 799879296 XMOSMUQCCJOCMU-SECBINFHSA-N 301.372 -0.494 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccnnc1 826445381 RQBGCGVCPVNNHW-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD C[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1 839533836 YWZVAKONJQIKNO-GWCFXTLKSA-N 302.334 -0.226 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2NC(=O)O[C@@H]2C)nc1C 841412646 CEIGOWHQCAPRPA-APPZFPTMSA-N 323.309 -0.098 50 20 DBGD Cc1cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(C)n1 858547694 NOWKXOHKFFWUEI-NSHDSACASA-N 305.338 -0.193 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H]2[C@H]2CCCO2)N1 858701718 ZKEZNWOJSSJFBQ-GMTAPVOTSA-N 310.354 -0.351 50 20 DBGD CN(C)c1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860912770 DOXYMDAXMCRUEZ-QMMMGPOBSA-N 306.326 -0.421 50 20 DBGD COc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1C 861805466 YOMURLQPUDAMOS-UHFFFAOYSA-N 308.338 -0.349 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNC(=O)CC1CC1 861841853 XSGPVYPVFXTHAE-SECBINFHSA-N 301.343 -0.181 50 20 DBGD O=C(NNC(=O)c1cc(N2CCOCC2)ccn1)c1cn[nH]c1 862473206 IYHMOKJLOSCLLD-UHFFFAOYSA-N 316.321 -0.284 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cn1ncc2ccccc21 863461446 JIAOWVWOIHNHDM-UHFFFAOYSA-N 310.335 -0.772 50 20 DBGD Cc1ccc(F)c(OCC(=O)NNC(=O)CS(C)(=O)=O)c1 863462034 DCRHHQLZXLEYJC-UHFFFAOYSA-N 318.326 -0.295 50 20 DBGD Cc1cc(CC(=O)NNC(=O)CN(C)[C@@H]2CCSC2)n[nH]1 869015584 SSHNVXRFFJKJCS-LLVKDONJSA-N 311.411 -0.155 50 20 DBGD OCCn1ncc2c1CCC[C@H]2NCc1ccccc1B(O)O 876966182 QPCIFYSVVKZEDL-OAHLLOKOSA-N 315.182 -0.278 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cn(C)nc1OC 883956034 VLAICSRBYMXDSP-UHFFFAOYSA-N 315.399 -0.084 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCc2cccnc21 913732988 RBFQQFLFBAYCJG-LLVKDONJSA-N 302.334 -0.119 50 20 DBGD NC(=O)c1ccc(NNC(=O)CCOC2CCOCC2)nn1 1116250685 GPZUJRVSMPHSAA-UHFFFAOYSA-N 309.326 -0.396 50 20 DBGD COc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1-n1cnnn1 1118973981 DNZGBDRFNMZDHJ-SNVBAGLBSA-N 317.114 -0.640 50 20 DBGD O=C(CCNS(=O)(=O)c1cccnc1)NNc1cccnn1 1254591397 PYHJAXJSBKAIGH-UHFFFAOYSA-N 322.350 -0.317 50 20 DBGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cnnc(O)c1 1261663924 USRGFMVHNPNVFN-UHFFFAOYSA-N 302.294 -0.141 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)OC)[C@@]12CCCO2 1320296283 PVSQRMXYTTYNAD-RWEMILLDSA-N 315.326 -0.784 50 20 DBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 1321307722 VBRVSAHRKRLGGB-SECBINFHSA-N 306.326 -0.553 50 20 DBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)CC(C)C)CC1 1328866170 YURDFWDHWROGFQ-UHFFFAOYSA-N 320.415 -0.644 50 20 DBGD CN(NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 1329151069 DFYGQUBANVVVAU-KOLCDFICSA-N 315.395 -0.853 50 20 DBGD N#Cc1ncn(CCNC(=O)NNC(=O)CC(F)(F)F)n1 1329227228 GNEWNZRJRYKYBS-UHFFFAOYSA-N 305.220 -0.567 50 20 DBGD O=C(CCN1CCOCC1)NNC(=S)NC[C@@H]1CCOC1 1335127057 NLQHLEJNMXLELD-NSHDSACASA-N 316.427 -0.760 50 20 DBGD CC(C)CN1CCO[C@H](CNC(=O)NNC(=O)c2cn[nH]c2)C1 1336058676 FZOHCOIONCQITB-GFCCVEGCSA-N 324.385 -0.290 50 20 DBGD C[C@H](C(=O)NN=c1cc[nH]cc1)S(=O)(=O)C1CCOCC1 1337484016 XTTSPJJHZBRDCM-SNVBAGLBSA-N 313.379 -0.071 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)CCCCCN 1579638008 NEZFVSKGOXXASF-UHFFFAOYSA-N 324.381 -0.081 50 20 DBGD N#C[C@@H]1CNCC12CC(C(=O)NNC(=O)c1cnsn1)C2 1580044302 ZTPUMWJBKXMCCT-UWZOBUBJSA-N 306.351 -0.562 50 20 DBGD O=C(NNC(=O)C(=O)c1ccc(O)cc1)NC1CCNCC1 1580733445 UWESHVPIKCUKAQ-UHFFFAOYSA-N 306.322 -0.343 50 20 DBGD O=C(NN=c1cc[nH]cc1F)c1cc(-c2nn[nH]n2)ccn1 1593167274 VDDOIQWTPJXDBL-UHFFFAOYSA-N 300.257 -0.025 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccnc(C(=O)O)c2)CC1 1598609757 NCAMTDZQUYYBIE-UHFFFAOYSA-N 307.310 -0.618 50 20 DBGD O=C(Cn1cccc(C(=O)O)c1=O)NN=c1cc[nH]cc1F 1601387372 CPYANVDXWLKQEZ-UHFFFAOYSA-N 306.253 -0.354 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccnc1C(=O)O 1603769852 FKFYVQXDFCDMOR-UHFFFAOYSA-N 309.282 -0.589 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1=O 1606253186 LPLYBHFSJFMTEU-MRVPVSSYSA-N 308.294 -0.901 50 20 DBGD O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)[C@H]1COCCO1 1608286242 NIBRODWHKNDALD-WUWIAWFRSA-N 310.262 -0.446 50 20 DBGD C[C@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)N(C)C1CC1 105264810 WYJRETMAQUCTKU-ZWNOBZJWSA-N 318.443 -0.150 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2c(F)cccc2F)c1=O 118509901 BWULSZYDYNOUOW-UHFFFAOYSA-N 310.260 -0.032 50 20 DBGD CN1CCN(C)[C@H](CNS(=O)(=O)CBr)C1 127469256 IDVQZLIWRZQITJ-MRVPVSSYSA-N 300.222 -0.496 50 20 DBGD CCNC(=O)CCCC(=O)NNC(=O)C(=O)NC(CC)CC 265908171 XPENHJOXHUCEGN-UHFFFAOYSA-N 314.386 -0.255 50 20 DBGD COC[C@H](CNC(=O)NNc1ccc(-n2cccn2)nn1)OC 273073785 ZWFNSWVQMAPHAX-JTQLQIEISA-N 321.341 -0.050 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)c1ccccc1 273525995 UDWGWJXCJMBKOW-UWVGGRQHSA-N 313.379 -0.125 50 20 DBGD C[C@@H]1CC/C(=C/C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 273529799 UZXNSRZGRJGEFZ-NLSNDTQJSA-N 303.384 -0.182 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)O1 276606897 MEYKFXBPYAGTFM-MNOVXSKESA-N 309.297 -0.452 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1)c1cncn1-c1ccccc1 367626053 MTMZTBUYDRZPGQ-LBPRGKRZSA-N 315.333 -0.378 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)OC(C)(C)C 495084281 FGZDYLIAIQDIGI-APPZFPTMSA-N 301.343 -0.182 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)Cn1ccnc1 584951694 ZDFCYLWKMKIXCZ-SNVBAGLBSA-N 305.118 -0.232 50 20 DBGD O=C(NCCC(=O)N1CCCCC1)c1ccc(B(O)O)cc1 584968083 GZWZAOBDVKRFRP-UHFFFAOYSA-N 304.155 -0.501 50 20 DBGD C[C@@H](CCN1CCN(C)CC1)NCc1cccc(B(O)O)c1 585036607 MLAWYZLTQYRCTJ-AWEZNQCLSA-N 305.231 -0.518 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCN(C(=O)N(C)C)CC1 731851631 IMMCKAVBEWKKTN-UHFFFAOYSA-N 322.369 -0.127 50 20 DBGD CN1CCN(CCCN(C)CC(=O)NNC(=O)C2CC2)CC1 746464200 RYDDZEXGGVDKJK-UHFFFAOYSA-N 311.430 -0.887 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=S)NC[C@H]1CCCCO1 758184655 NAPUXAQZVCNRMZ-SECBINFHSA-N 302.400 -0.425 50 20 DBGD COC(=O)CNC(=O)NNC(=S)NCC(C)(C)CN(C)C 779720564 LEABYKGHPYEIFD-UHFFFAOYSA-N 319.431 -0.575 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCOC(C)(C)C 806787086 AOPBNUJWEBVUGC-VIFPVBQESA-N 323.415 -0.333 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1ncncc1F 814299403 IOYNJWLUEUCJLH-UHFFFAOYSA-N 306.323 -0.819 50 20 DBGD COc1cnc(C(=O)NNC(=S)NCCSC)nc1 815915636 VCBWBXWJQPTEIZ-UHFFFAOYSA-N 301.397 -0.043 50 20 DBGD Cc1ccc(-c2nnn(CC(=O)NN(C)[C@@H](C)CO)n2)cc1 823983368 RSCUZFJZGMXWIE-NSHDSACASA-N 304.354 -0.008 50 20 DBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 823987408 HVRARNYFSHQFRA-TZIOMAPQSA-N 307.350 -0.863 50 20 DBGD CCCn1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 832684768 RMOMWBGEXFUXBG-KOLCDFICSA-N 323.353 -0.196 50 20 DBGD N#Cc1cccc([C@H](NNC(=O)[C@@H]2COCCO2)C(=O)O)c1 833075889 OBELDMLBUZGXFR-RYUDHWBXSA-N 305.290 -0.280 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1cccc(C#N)c1 844653868 HUDRDBRRDVMKRW-UHFFFAOYSA-N 312.351 -0.384 50 20 DBGD Nc1nc(C(=O)NCC(Cl)Cl)nc(N2CCOCC2)n1 846144541 LECZUMLIBNOQGQ-UHFFFAOYSA-N 321.168 -0.176 50 20 DBGD CON1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 846975647 IJYRZYMFKJRCMM-UHFFFAOYSA-N 317.349 -0.502 50 20 DBGD Cc1nn(CC(=O)NNc2ccccc2[N+](=O)[O-])c(=O)n1C 847282782 ADOSAEZDJNVVBL-UHFFFAOYSA-N 306.282 -0.058 50 20 DBGD COCCN(C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 848377230 DMEDUFSIBPIJIT-UHFFFAOYSA-N 315.395 -0.124 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCC1 858621304 WMPIAGDUBRYLAO-WDEREUQCSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@H](C(=O)NN[C@@H](C(=O)NC2CC2)c2ccccc2)N1 863378743 JKPQTZOPLPTANZ-TZMCWYRMSA-N 316.361 -0.094 50 20 DBGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(C)=O)cc1 917717689 JPPXVZILDIQBLW-UHFFFAOYSA-N 316.335 -0.042 50 20 DBGD O=C(NC[C@@H]1CCCNC1=O)NNC(=O)c1cccc(F)n1 1261640908 QGPHGLCWCYVECW-QMMMGPOBSA-N 309.301 -0.309 50 20 DBGD Cn1cc([C@@H](CO)NC(=O)NNC(=O)Cc2cccnc2)cn1 1319898407 JRYUTHIXUJCIIX-GFCCVEGCSA-N 318.337 -0.578 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)c1ccncn1 1320614135 RFDFWATUHGMEDB-UHFFFAOYSA-N 301.310 -0.140 50 20 DBGD CC(C)NC(=O)NNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1322629942 KJPLVDAUBZUKAN-VIFPVBQESA-N 321.399 -0.293 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1n[nH]c(O)n1 1326384287 XBFNUOBMOOGCMV-WDSKDSINSA-N 301.328 -0.825 50 20 DBGD CN(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)Cc1ccccc1 1331805164 GDEBFARQJLIJCB-GFCCVEGCSA-N 304.350 -0.456 50 20 DBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1335302042 SVUHRUDKPFZREX-LBPRGKRZSA-N 321.381 -0.230 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](Cc1ccccc1)N(C)C 1339816905 DHCGPMBBPGZSCY-LBPRGKRZSA-N 322.365 -0.337 50 20 DBGD CC[C@@](C)(C#N)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1345409486 BNGRFVLNWAYYJN-KWQFWETISA-N 302.356 -0.556 50 20 DBGD O=C(NNc1ncncc1F)c1ccc(-c2nn[nH]n2)cn1 1569731033 FNGAILXKGRUDJH-UHFFFAOYSA-N 301.245 -0.052 50 20 DBGD O=C(CN1C[C@H]2CCNC[C@H]21)NNC(=O)c1ccc(F)cc1 1580552035 YPPCEBXOVKAGAH-DGCLKSJQSA-N 306.341 -0.120 50 20 DBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1589219280 LPCQJZNRYZGUNO-ZDUSSCGKSA-N 318.293 -0.434 50 20 DBGD O=C1NCCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1593408765 PFIGNQUIGASBHO-SNVBAGLBSA-N 301.310 -0.164 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cncc(C(=O)O)c1 1594783249 XLEKKHBTJLLLKK-SECBINFHSA-N 322.277 -0.955 50 20 DBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)C(=O)N1CCCC1 1600826198 JVYUHRKDVIKFMQ-UHFFFAOYSA-N 309.278 -0.330 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1600978481 DHYJCEQUDDQWMM-SECBINFHSA-N 322.321 -0.891 50 20 DBGD O=C(CCO)NNC(=O)Nc1cc(C(=O)O)cnc1Cl 1601280234 FCCGGHKDHCWPCN-UHFFFAOYSA-N 302.674 -0.032 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1603953783 ATFAYGLXZHGWNV-HTRCEHHLSA-N 306.282 -0.354 50 20 DBGD COc1ccccc1S(=O)(=O)NNC(=O)NCC(=O)O 1607348896 WWMHKKMXEHCJGS-UHFFFAOYSA-N 303.296 -0.728 50 20 DBGD Cn1cc(C(=O)NNc2ccc(C(=O)O)cn2)c(O)nc1=O 1610600381 LJRLTVUHNUBERO-UHFFFAOYSA-N 305.250 -0.664 50 20 DBGD O=C(Cc1cccc(F)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 15639561 VBZNLBQSDNYFSI-JTQLQIEISA-N 314.338 -0.050 50 20 DBGD N#Cc1cccc(S(=O)(=O)NNC(=O)c2cnccn2)c1 22411831 AALXKFPVLYGOQB-UHFFFAOYSA-N 303.303 -0.028 50 20 DBGD C/C(=C\C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 48953023 HRDYIBYPBYSMPE-QEHWCHDUSA-N 301.368 -0.140 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1c(F)cccc1F 118511707 XHZIJWMTDAFFDY-UHFFFAOYSA-N 300.265 -0.340 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1(O)CCCC1 263743343 WESXIBVDGRVQFO-UHFFFAOYSA-N 311.363 -0.070 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)NCC(F)(F)F 280851448 AKMKBMLCZUQMQJ-UHFFFAOYSA-N 320.293 -0.793 50 20 DBGD COCCN(C)NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 297126530 PNTUIBAWPXKFRI-NSHDSACASA-N 314.367 -0.674 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 496473628 PSCJGESIPSOBJN-PELKAZGASA-N 307.306 -0.118 50 20 DBGD CCOC(=O)N1CCC(C(=O)NNC(=O)C(C)(C)O)CC1 497072960 HTZWFYVQEKBMSZ-UHFFFAOYSA-N 301.343 -0.227 50 20 DBGD O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1cc(B(O)O)ccc1F 584987673 RLLCUUDHQUCUHA-CHWSQXEVSA-N 320.129 -0.611 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)N1 733169829 BGRXALVAMHJFPO-GFCCVEGCSA-N 313.317 -0.088 50 20 DBGD C[C@@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746103716 WRSKFKUAQMPDIA-GMTAPVOTSA-N 317.411 -0.559 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 760798546 RQKTZJHZTHMQQF-UHFFFAOYSA-N 318.337 -0.075 50 20 DBGD CNc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cs1 762175895 DCFTXMYBABIAGP-LURJTMIESA-N 318.380 -0.620 50 20 DBGD COc1nccnc1NNC(=O)CCCN1C(=O)CN(C)C1=O 764484923 QLKLNGGWXJHJTA-UHFFFAOYSA-N 322.325 -0.398 50 20 DBGD COCc1ncc(C(=O)NNC(=O)N2CCOCC2)s1 795818621 CSXSQDYKSDCPKR-UHFFFAOYSA-N 300.340 -0.024 50 20 DBGD COCCN(C)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 816561922 QHHPSUHPKAPOOL-NSHDSACASA-N 307.416 -0.344 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COCCO1 823273461 OGSOOQFJSVMHRC-LLVKDONJSA-N 320.284 -0.129 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-n2cncn2)n1 855006652 PLAOFRGUFKOHOZ-VHSXEESVSA-N 316.321 -0.152 50 20 DBGD C[C@H](N)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1 857112887 SVLNJHIKIWMTRK-JTQLQIEISA-N 304.354 -0.056 50 20 DBGD N#Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 858698019 UHZHOOQZPCWLAF-NSHDSACASA-N 319.296 -0.194 50 20 DBGD C[C@@H](NNC(=O)c1ccnc(S(N)(=O)=O)c1)C(F)(F)F 862317476 HBZSDJZAVBNAHA-RXMQYKEDSA-N 312.273 -0.086 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C(=O)c2ccc3c(c2)CCC3)N1 862453761 NEAJKRZZYQRGEI-GFCCVEGCSA-N 315.329 -0.216 50 20 DBGD O=C(CCC(=O)c1ccccn1)NNC(=O)[C@H]1CCC(=O)N1 862462750 ZVZJNACXILCOKA-SNVBAGLBSA-N 304.306 -0.530 50 20 DBGD CCC1CCN(S(=O)(=O)NNC(=O)COCCOC)CC1 872383120 OEICJVVBVGPUTN-UHFFFAOYSA-N 323.415 -0.363 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@H]2CCCCN12)C(=O)N1CCCC1 900455050 QPSVOMOYKHSDBN-NEPJUHHUSA-N 308.382 -0.227 50 20 DBGD C=CCNC(=S)NNC(=O)CN(C)CC(=O)NC(C)C 920430681 CWYDOWFJEVOYJR-UHFFFAOYSA-N 301.416 -0.876 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1CC2(C1)OCCO2 927095323 QRDFVRTVKYKHHC-GXSJLCMTSA-N 313.354 -0.105 50 20 DBGD O=C(NCc1nnnn1C1CC1)NNC(=O)c1cccc(F)n1 1118500908 OYVICOBYTOBABA-UHFFFAOYSA-N 320.288 -0.314 50 20 DBGD CC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 1254888720 LZCQRUULKYRDSI-UHFFFAOYSA-N 318.333 -0.181 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1C#N 1317906566 PAKCSUAPKZFZHH-JTQLQIEISA-N 322.346 -0.543 50 20 DBGD Cc1nnc(CNC(=O)NNC(=O)COc2ccccc2O)o1 1318350990 VFKGJMXNTUOWHZ-UHFFFAOYSA-N 321.293 -0.007 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1)N[C@H]1CCS(=O)(=O)C1 1318854409 ZHMWEHMRJIBMJK-YUMQZZPRSA-N 307.397 -0.601 50 20 DBGD CO[C@@]1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCOC1 1320251648 NZEAUOJCSOWBJO-VXGBXAGGSA-N 321.399 -0.827 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1sc(C)nc1C 1321667647 KBPJYNAQWKYDIS-UHFFFAOYSA-N 300.296 -0.981 50 20 DBGD O=C(Cc1cc[nH]n1)NNc1nccc(N2CCOCC2)n1 1323944236 UOVYUBWYCAJBHO-UHFFFAOYSA-N 303.326 -0.278 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1F 1326032132 MBTWYJWCYCEKHM-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)c1cccc(F)n1 1328444837 QGCZUGXVAWFENS-UHFFFAOYSA-N 308.273 -0.673 50 20 DBGD COC[C@@H](OC)C(=O)NNc1ccccc1S(N)(=O)=O 1328638510 YVFKMLZSDDMKOC-SECBINFHSA-N 303.340 -0.562 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)sn1 1334890357 XTOJVELRGICISY-ZCFIWIBFSA-N 319.364 -0.653 50 20 DBGD O=C(O)C1(C(=O)NNc2ncccn2)CCS(=O)(=O)CC1 1574633509 SWJDYFCUGSVQSF-UHFFFAOYSA-N 314.323 -0.801 50 20 DBGD CCN[C@@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1577811244 YLSSMSGIXBGGPP-VIFPVBQESA-N 317.349 -0.308 50 20 DBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CC1)C(=O)Nc1ccccn1 1594778998 HUBFVXFSDCEORR-VIFPVBQESA-N 306.278 -0.722 50 20 DBGD C[S@](=O)Cc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1599777372 UFOCULZVSSWXBX-NRFANRHFSA-N 313.335 -0.520 50 20 DBGD O=C(Cn1cccc(C(=O)O)c1=O)NNC(=O)CC(F)(F)F 1601387680 MVGJKFNHWZJQDI-UHFFFAOYSA-N 321.211 -0.354 50 20 DBGD O=C([C@H]1CCOC1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354126 JGOGESYAQZFEEQ-QWRGUYRKSA-N 316.785 -0.174 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)S(C)(=O)=O 45877103 GNLMNRGVOCASAQ-MRVPVSSYSA-N 302.327 -0.051 50 20 DBGD O=S1(=O)CC[C@@H](CNS(=O)(=O)CBr)C1 126685537 DMNNUEYRZICWIR-LURJTMIESA-N 306.203 -0.307 50 20 DBGD O=C(Cn1ncc2ccccc2c1=O)NNC(=O)NC1CC1 138639959 CAGDQAJJHAWOAP-UHFFFAOYSA-N 301.306 -0.111 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2COCCO2)cc1 140984833 FXTIZUMMSFQHTR-LBPRGKRZSA-N 304.306 -0.082 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)NC(C)C)o1 264477958 XOVKVQAQHYJMMJ-UHFFFAOYSA-N 305.312 -0.033 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CCN(C)C2=O)c1 265682216 JNVYRMDGJGTIQQ-LBPRGKRZSA-N 320.349 -0.065 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@](C)(O)Cc1ccccc1 266810282 IJBLNDUCNKKXCI-OAHLLOKOSA-N 307.350 -0.348 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 266911797 JJRIBMVLHJRUIU-SSDOTTSWSA-N 303.344 -0.826 50 20 DBGD COC[C@H](CO)NC(=O)NNC(=O)COCc1ccccc1 280972910 TWGDBYJCIPTLOT-LBPRGKRZSA-N 311.338 -0.459 50 20 DBGD C=CCNC(=S)NNC(=O)CNC(=O)OCC(F)(F)F 281211583 LSGKEMMMLMMYOW-UHFFFAOYSA-N 314.289 -0.044 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)CCOCCO 282619510 XVAUKVXUJKTNMZ-UHFFFAOYSA-N 323.393 -0.374 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1 299433163 MJPBOSAISHWBOP-UHFFFAOYSA-N 310.335 -0.207 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494742656 PSLXWQWJLJCYTF-ZETCQYMHSA-N 302.331 -0.817 50 20 DBGD Cn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584929223 PEWNVSKZPUFVQU-GFCCVEGCSA-N 314.154 -0.485 50 20 DBGD Cn1cccc1[C@H]1COCCN1C(=O)c1cccc(B(O)O)c1 584976966 UWNDIMUPYMBRMT-OAHLLOKOSA-N 314.150 -0.081 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@]2(CCO[C@@H]2C)O1 584983368 NNDCUBYLZDISGB-XHBSWPGZSA-N 319.166 -0.225 50 20 DBGD COC1(CO)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 585005037 VRWUYRFSAURDCH-UHFFFAOYSA-N 311.118 -0.881 50 20 DBGD Cc1cccc2c1NC(=O)C2=NNC(=O)[C@H](C)NS(C)(=O)=O 728437391 RMFKASLJVYIZFC-QMMMGPOBSA-N 324.362 -0.295 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1C(=O)Nc2ccccc21 728437773 WXOJGROVHANKSL-SSDOTTSWSA-N 310.335 -0.603 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)c1cnn(C)c1 735444582 MBPKTGJIAYLRMA-UHFFFAOYSA-N 300.340 -0.523 50 20 DBGD CN(C)c1nccc(NNC(=O)CCCS(C)(=O)=O)n1 740103555 RQXIZWPJMFPNMV-UHFFFAOYSA-N 301.372 -0.190 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1nc(-c2ccncc2)no1 751462520 CHDUWZZAVORXCQ-UHFFFAOYSA-N 312.311 -0.876 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@H](C)S(C)(=O)=O)n1 754128371 DPKCQSGNHBXZSU-QMMMGPOBSA-N 317.371 -0.147 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)nc1 757720347 RYNKXSXJJGQZAA-SSDOTTSWSA-N 316.314 -0.192 50 20 DBGD CC(C)(C)C(=O)NNC(=O)c1ccnc2c(C(N)=O)cnn12 763892049 UDQUOTZDIREFCU-UHFFFAOYSA-N 304.310 -0.365 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1 786063136 HQOBXBFOIBPQJT-KWQFWETISA-N 321.289 -0.512 50 20 DBGD CCCCNC(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807966040 FRXROTXSTWBIPU-UHFFFAOYSA-N 324.385 -0.417 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1cc(Cl)ccn1 826425648 MPWIVNKUVJWHQU-UHFFFAOYSA-N 320.704 -0.350 50 20 DBGD CCCN1C[C@@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CC1=O 839470214 NDPNZLZKPKGPLO-LBPRGKRZSA-N 321.381 -0.094 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(-n2cnnn2)cc1 840239978 GYRWSZWKLCQKRV-NXEZZACHSA-N 317.265 -0.912 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 840572330 RUTWAXDRVBHVEZ-SNVBAGLBSA-N 322.369 -0.662 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 843980786 WPCJZXASFABZRN-OLZOCXBDSA-N 312.414 -0.414 50 20 DBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)C(C)C 854215180 XKYVXYWEMASIEW-UHFFFAOYSA-N 300.340 -0.394 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cc[nH]n1 855359002 BCJARPNJJITYSA-ZCFIWIBFSA-N 319.243 -0.419 50 20 DBGD CC1(C)C[C@@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858528142 CSVJUHNOYWWERX-VHSXEESVSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3nsnc3c2)N1 862457292 GFUUKPRRUYVRQR-MRVPVSSYSA-N 305.319 -0.269 50 20 DBGD Cn1nc(C(F)(F)F)cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458600 CENFXJKSGXSSOW-RXMQYKEDSA-N 319.243 -0.522 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)c2cn[nH]c2)n1N 862469894 DZDXOLNOIHSZIA-UHFFFAOYSA-N 324.370 -0.779 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(CCN(C)C)c1 869068214 NYMBWAJLFBHWFB-ZYHUDNBSSA-N 309.370 -0.369 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccnn1CC(F)F 869906647 OOXAFVLWBXDNCM-UHFFFAOYSA-N 306.269 -0.428 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2nnc(C)n2C)CC1 879190852 FPLOLUYYNHUSDX-JTQLQIEISA-N 323.401 -0.809 50 20 DBGD C[C@]1(C(=O)N2CC(NS(C)(=O)=O)C2)C[C@H]1Br 913009190 CIONLCZQZNTWSD-APPZFPTMSA-N 311.201 -0.080 50 20 DBGD C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)C(=O)N1CCCC1 1116267118 FJQHPGCYIGXRJO-QWRGUYRKSA-N 312.370 -0.246 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(C1CC1)C1CC1 1318280457 JAFQJRAHHVYTSM-MRVPVSSYSA-N 317.411 -0.102 50 20 DBGD COCCCNC(=O)NNC(=O)c1cccn2c(O)nnc12 1319949468 LJAJKAWWXZXNFR-UHFFFAOYSA-N 308.298 -0.585 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CC1)CNC(=O)C2 1325991703 WWUFJMVYNAMGEU-WDEREUQCSA-N 324.381 -0.246 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1326361276 KODZTJGTPQFRRP-JGVFFNPUSA-N 310.285 -0.268 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN(c2ccccc2F)C1 1327720480 NUNUKXWYIHDNDW-SECBINFHSA-N 324.312 -0.092 50 20 DBGD O=C(NNC(=O)c1cnn(C[C@H](O)CO)c1)NC1CCCC1 1327815286 FMYZIOKQJRDINU-NSHDSACASA-N 311.342 -0.877 50 20 DBGD Cn1nncc1NNC(=O)Cc1cccc(NS(C)(=O)=O)c1 1328636227 IIHKXMYMGWXVAD-UHFFFAOYSA-N 324.366 -0.128 50 20 DBGD O=C1CC[C@@H](C(=O)NN=Cc2cn(Cc3cccnc3)nn2)N1 1329112128 WECYBGINZRCJQQ-LBPRGKRZSA-N 313.321 -0.550 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)N=c1cc[nH]cc1 1329252746 IXDRBYWRUZVGQE-SCZZXKLOSA-N 322.325 -0.705 50 20 DBGD Cc1nn(CCC(=O)N2CC[C@H](B(O)O)C2)c(C)c1[N+](=O)[O-] 1331825601 DBVHBTSQOPLGLE-JTQLQIEISA-N 310.119 -0.126 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1ncn(C)n1 1338530371 AYKCBLPGLXTRJY-RKDXNWHRSA-N 314.346 -0.742 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NCC2CC2)co1 1341146478 XLMFETXTEQGNEH-UHFFFAOYSA-N 316.339 -0.458 50 20 DBGD CS(=O)(=O)CC1(C(=O)NNc2ccnc(F)c2)COC1 1528093867 AIUWAGHREBHJEN-UHFFFAOYSA-N 303.315 -0.275 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCNCC1 1579051640 FCUPCYXGHIVQFQ-NEPJUHHUSA-N 316.402 -0.242 50 20 DBGD COc1cccc(C(=O)NCC(=O)NNC(=O)CCCN)c1 1579260225 UZGCQPOANSMRPB-UHFFFAOYSA-N 308.338 -0.689 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)COCC(=O)O 1589692954 TXPBIAQGTFOZFF-UHFFFAOYSA-N 317.342 -0.823 50 20 DBGD Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cn[nH]c1 1592099682 MUTCYUMRFWISOW-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD O=C(O)CC1(CNC(=O)c2ccc(B(O)O)cc2)CCOCC1 1601919270 LKCKPOFMVDFBOE-UHFFFAOYSA-N 321.138 -0.632 50 20 DBGD O=C(O)CNC(=O)NN=C1CS(=O)(=O)Cc2ccccc21 1602071189 FZPWDADCSVVKNB-UHFFFAOYSA-N 311.319 -0.297 50 20 DBGD Cc1ncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1C(=O)O 1607984204 VUWZSODLCZMPSP-QMMMGPOBSA-N 314.128 -0.674 50 20 DBGD NC(=O)CC1(CNC(=O)NNC(=O)C(=O)O)CCCCC1 1608231070 QNBLYKSEEYLTPI-UHFFFAOYSA-N 300.315 -0.773 50 20 DBGD O=C(c1ccnnc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556420 KEUCTDRGNGWCKN-SRVKXCTJSA-N 324.768 -0.108 50 20 DBGD CO[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)c1ccco1 263817454 WWPQDFMQXBMBHQ-VIFPVBQESA-N 312.326 -0.235 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCCC(=O)N1 270625255 GHYPOOIYSVXIEP-NSHDSACASA-N 320.349 -0.077 50 20 DBGD Cc1cc(C)nc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)n1 272559209 ZRPMVADZCRMAPR-ONGXEEELSA-N 307.354 -0.188 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@](C)(O)c1ccccc1 272562298 GVGHSDWWIQUKGW-OAHLLOKOSA-N 307.350 -0.044 50 20 DBGD COC(=O)N(C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 496508950 UWFKROVFOWEXRC-UHFFFAOYSA-N 307.353 -0.333 50 20 DBGD CC(=O)NC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584937602 QPTFBFOHPKMPHA-UHFFFAOYSA-N 308.118 -0.754 50 20 DBGD CSC[C@H](CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584963442 UOJHPRWCYIDZMB-VIFPVBQESA-N 301.148 -0.651 50 20 DBGD OC[C@H](CNCc1cccc(B(O)O)c1)CC1CCOCC1 585039272 RJFHSRAVAJFRCA-HNNXBMFYSA-N 307.199 -0.119 50 20 DBGD OB(O)c1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)o1 585040595 OCDUBGOYFLHLBS-SNVBAGLBSA-N 322.092 -0.688 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn2ccccc12 731964985 RZZFIJCXQTWMCM-VIFPVBQESA-N 322.346 -0.470 50 20 DBGD CN(C)CC(=O)NNC(=O)COCCNC(=O)OC(C)(C)C 733360405 JMULOXNCVBRGNB-UHFFFAOYSA-N 318.374 -0.763 50 20 DBGD CC(C)(CO)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744928420 VPHHZSXEOZBDBS-UHFFFAOYSA-N 319.317 -0.119 50 20 DBGD CCNC(=O)NNC(=O)c1cc2c(N(C)C)ncnc2n1C 747365776 ACNMMQBIEXUCSC-UHFFFAOYSA-N 305.342 -0.002 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1nnc2ccccn12 756434833 ZYEOOTZDJAHJQD-UHFFFAOYSA-N 300.282 -0.152 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)CC(C)(CO)CO 759166208 DYZUQYPRSXGQHB-UHFFFAOYSA-N 315.395 -0.568 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1Cl 764299669 GXVMTXQFVUFELX-UHFFFAOYSA-N 316.701 -0.524 50 20 DBGD CS(=O)(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771607567 NVDLBNWPMDJISI-UHFFFAOYSA-N 305.743 -0.463 50 20 DBGD CC(C)c1nccnc1NNC(=O)CN1C(=O)C(=O)N(C)C1=O 772842794 WJHAPLFBEAHLQI-UHFFFAOYSA-N 320.309 -0.536 50 20 DBGD O=C(NNc1cnccn1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779843568 HHGIRGWCPIWNHH-NEPJUHHUSA-N 314.305 -0.110 50 20 DBGD COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)NNC(=O)C(C)(C)C 781958124 KEUKJWXLFQUQRZ-KOLCDFICSA-N 315.370 -0.822 50 20 DBGD CC(C)OCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 783800646 WKKXXYWEWWWYLP-JTQLQIEISA-N 306.384 -0.226 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cncc(C(=O)OC)c1 788480018 LPGKSXBWCCFFDG-UHFFFAOYSA-N 316.339 -0.229 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCSC1)N[C@@H]1CCS(=O)(=O)C1 810581326 NIFMLEJCFDFGGT-RKDXNWHRSA-N 321.424 -0.353 50 20 DBGD O=C(CNS(=O)(=O)c1cccnc1)NNc1ccccn1 810917763 TXVBMNPIJSHBEJ-UHFFFAOYSA-N 307.335 -0.102 50 20 DBGD Cn1ncc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)n1 814801758 LNUNVILMPMHNDW-UHFFFAOYSA-N 307.335 -0.018 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)NC1CCCC1 824342182 FQFIDHOPPNZNKU-MRVPVSSYSA-N 306.388 -0.413 50 20 DBGD CC(C)(CN1CCOCC1)NCC(=O)NNC(=O)C(C)(C)C 839651584 VDIVUFONLJFNSG-UHFFFAOYSA-N 314.430 -0.120 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cn2nnc3c2CCCC3)n[nH]1 847626589 OUFMOCKOHCQCHS-UHFFFAOYSA-N 303.326 -0.350 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1ncc(F)cc1F 857532029 GBTZKAORCFLLKC-UHFFFAOYSA-N 306.294 -0.162 50 20 DBGD CCC(CC)[C@@H](O)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858698457 VPLKODKCTLWKDN-UWVGGRQHSA-N 300.359 -0.608 50 20 DBGD CCC[C@@H](OCC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 858750234 PTFRTOHZUZPZKD-VHSXEESVSA-N 321.399 -0.291 50 20 DBGD COc1cccc(COCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862450865 COYUVZIZRVMCML-LBPRGKRZSA-N 321.333 -0.362 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccncc1Cl 1116158014 PMZXMKQPAWXPFX-ZETCQYMHSA-N 317.754 -0.069 50 20 DBGD COc1cc(F)ccc1NNC(=O)c1cn(CC(N)=O)nn1 1116837678 KXYKMXJWVVBJHO-UHFFFAOYSA-N 308.273 -0.332 50 20 DBGD O=C(Cn1c(=O)oc2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 1118883910 NDWSVXUBSKKONM-QMMMGPOBSA-N 318.289 -0.980 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(OC(F)F)c1 1323944421 XHIZDIBTGXZMFG-UHFFFAOYSA-N 317.248 -0.244 50 20 DBGD Cc1nc(C(=O)NN[C@H](C)C(F)(F)F)nn1-c1nc[nH]n1 1330099413 OXFZRMGTHCUFDQ-SCSAIBSYSA-N 304.236 -0.121 50 20 DBGD NC(=O)c1ccc(/C=C\C(=O)NNC(=O)C(=O)N2CCCC2)o1 1330236708 HTNMMJZUPNCHOY-XQRVVYSFSA-N 320.305 -0.839 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCc2nnnn2CC1 1332593829 FZPJKQPLWMQKQH-NSHDSACASA-N 315.337 -0.589 50 20 DBGD NS(=O)(=O)c1ccc(OCC(=O)NNc2cccnn2)cc1 1351772200 SNCAZOLMOXOCFW-UHFFFAOYSA-N 323.334 -0.354 50 20 DBGD O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21)[C@@H]1COCCO1 1580736007 KUYIPUVMUMLAHE-ZDEQEGDKSA-N 311.382 -0.283 50 20 DBGD C=CCNC(=S)NNC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1588663091 GAMWVGZGPUHCQU-UHFFFAOYSA-N 318.366 -0.515 50 20 DBGD O=[N+]([O-])c1cc(N2CC[C@@H](B(O)O)C2)ccc1-c1nn[nH]n1 1593472022 RNRANHPTYCHTPE-SSDOTTSWSA-N 304.075 -0.172 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)C(=O)Nc1ccccn1 1594779541 SOYLKVUMJNXUMV-UHFFFAOYSA-N 318.289 -0.412 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cscc2-c2nn[nH]n2)nn1 1606232276 KTLDKQKJASHHSS-UHFFFAOYSA-N 319.310 -0.869 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 1607041701 KGRTULOIJDQDFK-JTQLQIEISA-N 314.305 -0.003 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1COCCO1 32661458 MVKOEIAUQWSJDV-VXGBXAGGSA-N 308.290 -0.611 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)N1CCc2c(F)cccc21 184197214 QLWTWSZJSALXKV-UHFFFAOYSA-N 308.313 -0.576 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1nc2ccccn2n1 273651137 YBNWMGUZLJADJR-VIFPVBQESA-N 322.325 -0.067 50 20 DBGD COc1ccnc(NNC(=O)NCC2(S(C)(=O)=O)CC2)n1 279733701 WIMJSFPKHUMNHZ-UHFFFAOYSA-N 315.355 -0.312 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)cc1 298319744 VRBJKSLSUVJBKY-NSHDSACASA-N 305.334 0.000 50 20 DBGD COc1ncncc1NC(=O)C(=O)NNC(=O)OC(C)(C)C 495326635 OLRYEYYCIJOFBT-UHFFFAOYSA-N 311.298 -0.020 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](OC(=O)N(C)C)C1 497123572 DAAXLXQIXNXDJZ-UWVGGRQHSA-N 300.359 -0.295 50 20 DBGD Cc1nnc(COCC(=O)Nc2cccc(B(O)O)c2)s1 584913761 JGTLDKHFKZGUAJ-UHFFFAOYSA-N 307.140 -0.318 50 20 DBGD CC(C)(CNC(=O)c1ccc(B(O)O)c(F)c1)N1CCOCC1 584925108 QSOSZMJLIHNPBG-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(N[C@H](CO)CN1CCCCC1)c1ccc(B(O)O)c(F)c1 584987980 ABBOIMUBRJHPMN-LBPRGKRZSA-N 324.161 -0.918 50 20 DBGD C[C@H]1CN(CCNC(=O)NNC(=O)CC(F)(F)F)CCO1 726261733 ULELDCNAYKZVEN-QMMMGPOBSA-N 312.292 -0.010 50 20 DBGD CS(=O)(=O)NCCNC(=S)NNC(=O)CC1CCCC1 727085420 WMRKUUSNOVQASZ-UHFFFAOYSA-N 322.456 -0.389 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 728826328 ACQGKBBRWBHBSQ-UHFFFAOYSA-N 315.249 -0.481 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)COCc1ccccc1 738496459 QACBLHFIBPXDLE-UHFFFAOYSA-N 308.338 -0.330 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1F 745977844 BTRWGMOSKVKPSX-UHFFFAOYSA-N 305.287 -0.012 50 20 DBGD CC(C)(O)CN(CC(=O)NNC(=O)C1CC1)C1CCOCC1 746463951 YOJXWRHPEXLYDQ-UHFFFAOYSA-N 313.398 -0.204 50 20 DBGD CCN(CCS(C)(=O)=O)[C@@H](C)C(=O)NNC(=O)CC(C)C 753203368 JYNNRYGIZXCHCQ-NSHDSACASA-N 321.443 -0.065 50 20 DBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCO1 758036407 RWPBQYPVYYYWSF-KXUCPTDWSA-N 321.399 -0.723 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1 798325516 LVVDWNAAXUKOCZ-UHFFFAOYSA-N 323.334 -0.560 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CN(CC)CCO1 805475832 CQZRIAATHHEMSL-VHSXEESVSA-N 301.343 -0.804 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NN=C1C(=O)NC(=O)NC1=O 814215771 VNWJZHDQQCYHPX-ZCFIWIBFSA-N 322.252 -0.569 50 20 DBGD Cc1oc(C(=O)NNC(=O)[C@H]2CCCO2)cc1S(N)(=O)=O 814343330 YRBIUAYGSLCNLV-SSDOTTSWSA-N 317.323 -0.825 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1c[nH]c(C(=O)OC)c1 815679936 YXNISDSMBRJFCP-UHFFFAOYSA-N 324.337 -0.133 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cc2nnn(C(C)(C)C)n2)n[nH]1 831423348 CCPJCBOCFJUJAB-UHFFFAOYSA-N 306.330 -0.537 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2cnn(C[C@@H](O)CO)c2)n1 834814685 CWTLLLDLCSVTRL-LLVKDONJSA-N 319.321 -0.985 50 20 DBGD O=C(NNS(=O)(=O)N1CCCOCC1)[C@H]1CCCCO1 844662477 DSIUCJJOBVIBDQ-SNVBAGLBSA-N 307.372 -0.857 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCc3nnnn3CC2)n1 846053847 XCNYHRMXKDHIPY-JTQLQIEISA-N 315.337 -0.210 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCS(C)(=O)=O 854279886 LXQDGBPHMQVZBT-UHFFFAOYSA-N 311.429 -0.705 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCNC1=O 856791490 OGHAHPKTTNKACI-SECBINFHSA-N 306.322 -0.609 50 20 DBGD C=C(C)CN1CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858199582 OFSIBHREJCYYKR-GFCCVEGCSA-N 323.397 -0.364 50 20 DBGD CNC(=O)c1ccc(NC(=O)NNC(=O)COC)c(OC)c1 861338538 WMKIPVPKVSRIBB-UHFFFAOYSA-N 310.310 -0.146 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2nc3cnccc3s2)N1 862463190 ZVYOQNQAZWWSHJ-ZCFIWIBFSA-N 305.319 -0.269 50 20 DBGD CCOC(=O)c1ccc(C=NNC(=O)CS(C)(=O)=O)o1 863187318 HCSMFOATSIBWFG-UHFFFAOYSA-N 302.308 -0.049 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCCOc1cccnc1 863463282 VFYNIEXTSKUOAT-UHFFFAOYSA-N 315.351 -0.567 50 20 DBGD COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(B(O)O)cc1 863878484 GMZCZHHKYXFHKQ-GWCFXTLKSA-N 305.139 -0.220 50 20 DBGD O=C(C[C@H]1CSCCS1)NNC(=O)CN1CCCC1=O 913731267 AXBBBXGEFUHENT-VIFPVBQESA-N 317.436 -0.005 50 20 DBGD Cn1c(S)nnc1CCNC(=O)NNC(=O)c1ccc[nH]1 1118611242 BNTUWIAPYHNORJ-UHFFFAOYSA-N 309.355 -0.381 50 20 DBGD Cc1ccc([C@H](O)CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1261791212 JOJCVKCECUBAIT-DTWKUNHWSA-N 310.310 -0.770 50 20 DBGD O=C(NC[C@@H]1CC1(Cl)Cl)NNC(=O)C(=O)NC1CC1 1317853217 PMTHPTNHMHGWMQ-YFKPBYRVSA-N 309.153 -0.211 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1nc(-c2ccccc2)no1 1318434878 SMRBTDVVLXCENG-UHFFFAOYSA-N 316.277 -0.269 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1N 1320273309 DVXGSGVKLUGKAE-UHFFFAOYSA-N 303.326 -0.321 50 20 DBGD COCCC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1322799871 FAPMMKOEQCDRTI-VIFPVBQESA-N 319.383 -0.679 50 20 DBGD Cc1nc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)n[nH]1 1334407852 IIAWVBQGRXFFCJ-SECBINFHSA-N 301.372 -0.852 50 20 DBGD C[C@@H]1CN(C2CCOCC2)CCN1CC(=O)NNC(=O)C1CC1 1339344593 QLGQTMCPLODMBC-GFCCVEGCSA-N 324.425 -0.271 50 20 DBGD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1348490909 XDWNKJXZAUDVPZ-SSDOTTSWSA-N 301.089 -0.773 50 20 DBGD C[C@]1(C(=O)N2CCC(O)(C(N)=O)CC2)C[C@H]1Br 1354014536 FZYMZMULYGWNSI-XCBNKYQSSA-N 305.172 -0.001 50 20 DBGD CC(C)Cn1[nH]c(CC(=O)NNC(=O)C2CCOCC2)cc1=O 1355107055 ZUGOLXXCTIQCQI-UHFFFAOYSA-N 324.381 -0.051 50 20 DBGD COc1nccnc1NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1591669900 ZGBSRTPJIZNINS-UHFFFAOYSA-N 315.297 -0.239 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CC[C@H]3C(=O)O)nc21 1594585853 HANUVWNOSAOLOW-NTSWFWBYSA-N 306.282 -0.377 50 20 DBGD CC(C)(C)OC(=O)NCCCCNC(=O)NNC(=O)C(=O)O 1603461852 OHKLXSDJDYKHPP-UHFFFAOYSA-N 318.330 -0.294 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@@H](C(=O)O)C1 1604359018 SVPKJBHHPCAHTE-HTQZYQBOSA-N 305.356 -0.329 50 20 DBGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1783053532 IPCKTAIENJUKQH-BXUZGUMPSA-N 314.769 -0.297 50 20 DBGD CN(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110068 LKWGXEREWCZLCO-USZNOCQGSA-N 317.817 -0.214 50 20 DBGD NCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Br)C2 1842877872 MWJZADYBCQVLBN-MRVPVSSYSA-N 308.151 -0.161 50 20 DBGD CC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847489586 BLMXVXXGLCSQLT-NAKRPEOUSA-N 304.774 -0.441 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1ccccc1O 61477373 GOTQIDRWCNKEDT-UHFFFAOYSA-N 305.290 -0.308 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCn1cccc1 273482254 LKRDGOBBHISXOQ-JTQLQIEISA-N 316.383 -0.647 50 20 DBGD COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1ccccc1 276601386 LMTHAMWMGNNMMY-RYUDHWBXSA-N 321.333 -0.944 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@H]2C(=O)NCC[C@H]2C)n1 282268144 PHZGRBVHVPIDSD-GMSGAONNSA-N 308.342 -0.056 50 20 DBGD COc1cccc(OC)c1C(=O)NNC(=O)C(=O)NC(C)C 298147292 GNJWQGQJDAXYJY-UHFFFAOYSA-N 309.322 -0.011 50 20 DBGD COc1ccccc1N1C[C@H](C(=O)NNC(=O)CO)CC1=O 364723209 RTBKFVLXNHWYEL-SECBINFHSA-N 307.306 -0.812 50 20 DBGD COC(=O)NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 495367576 RGTSNSZNALKBOC-CYBMUJFWSA-N 306.278 -0.258 50 20 DBGD O=C(NCc1nnc2n1CCCCC2)c1ccc(B(O)O)cc1 584928469 LYMSRQWZBJFGNZ-UHFFFAOYSA-N 314.154 -0.386 50 20 DBGD C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(B(O)O)c1 584945966 MZOINDHKRXVVQU-VHSXEESVSA-N 313.184 -0.740 50 20 DBGD NC(=O)CCC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584968781 DQVZMXNXNGCAQJ-UHFFFAOYSA-N 322.145 -0.377 50 20 DBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](O)C(F)F 584996184 ZVHRYVLJGWXYCT-VHSXEESVSA-N 305.061 -0.360 50 20 DBGD O=C(NCCO[C@H]1CC1(F)F)c1ccc(B(O)O)c(F)c1 585007400 MAUVYWSFCKROOX-JTQLQIEISA-N 303.045 -0.341 50 20 DBGD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCB(O)O 585060910 HJKUOPHHFYTFDB-UHFFFAOYSA-N 304.159 -0.046 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=S)Nc1ccccc1 728449319 IWTFZZSTWKFXSA-MRVPVSSYSA-N 316.408 -0.058 50 20 DBGD CN(C)CC(=O)NNC(=O)CN1C(=O)CCOc2ccccc21 733359638 VBSPQJZLYKHJDV-UHFFFAOYSA-N 320.349 -0.489 50 20 DBGD CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1 753356261 WNFRLMYTPXZKPG-JTQLQIEISA-N 318.399 -0.459 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)COc1ccc(C)c(C)c1 761136759 WILBNLMDLVYCCJ-UHFFFAOYSA-N 308.338 -0.241 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Br)cc1 764421309 LTSODBPCCNOSNQ-UHFFFAOYSA-N 316.111 -0.473 50 20 DBGD CC(=O)NNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 775708432 OPOPIVXRVSBBMF-JTQLQIEISA-N 305.294 -0.390 50 20 DBGD CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)CO 777782223 YJMDCQVKXYEIPB-LBPRGKRZSA-N 307.350 -0.346 50 20 DBGD Cc1[nH]c(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)O 800809171 DLNMDCMZUFUXHK-MRVPVSSYSA-N 313.335 -0.094 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Cn1nnc2c1CCCC2 816824081 ORVIWAPEQXBVBS-UHFFFAOYSA-N 302.338 -0.043 50 20 DBGD COc1cc(C(=O)O)sc1S(=O)(=O)NNC(=O)N(C)C 831939154 CAYKATKWXGISPT-UHFFFAOYSA-N 323.352 -0.081 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)N1 845821708 JASOJYZFFZBIRW-LLVKDONJSA-N 311.363 -0.623 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c(OC)c1 847451651 LSDOJMQYWAYCFT-ZJUUUORDSA-N 321.333 -0.024 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1nnn(C(C)(C)C)n1 853279626 VEZRKPFSTSIDJI-LLVKDONJSA-N 323.401 -0.154 50 20 DBGD CCN1CCO[C@H](C(=O)NN(C)C(=S)NCCCOC)C1 854282214 SAWTVMDSDYGFJX-NSHDSACASA-N 318.443 -0.419 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NN[C@H](C)C(F)(F)F 862312320 JJEUIDSYSSOBCL-VXNVDRBHSA-N 324.303 -0.315 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1C1CCCC1)c1cn[nH]c1 862470342 NMRFYZUTKFIJGG-GFCCVEGCSA-N 307.354 -0.186 50 20 DBGD Cn1c2c(ccc1=O)C(=NNC(=O)[C@H]1CCC(=O)N1)CCC2 863150399 TYNYAIWSCZJOHP-LLVKDONJSA-N 302.334 -0.180 50 20 DBGD CCC[C@H](C(=O)OCC)S(=O)(=O)NNC(=O)c1cn[nH]c1 863414506 YKIBTNGODZOAPF-SECBINFHSA-N 318.355 -0.294 50 20 DBGD CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 863465357 CGJMDBYQLXWQJT-NSHDSACASA-N 314.363 -0.564 50 20 DBGD O=C(N[C@@H](CCO)C(F)(F)F)c1cc(B(O)O)ccc1F 868542572 PVKBSEBBHQOYNP-VIFPVBQESA-N 309.024 -0.451 50 20 DBGD CN1C(=O)[C@@H]2CN(CCI)C[C@@H]2C1=O 879535760 SITSSJLNNXYMHZ-KNVOCYPGSA-N 308.119 -0.032 50 20 DBGD Cc1nccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1 918204474 GHOMQDTXQNTADC-UHFFFAOYSA-N 324.304 -0.164 50 20 DBGD CCOCCn1cc(C(=O)NNc2nccn(C)c2=O)cn1 1118824263 JEKPOZRYMQPEGR-UHFFFAOYSA-N 306.326 -0.230 50 20 DBGD N#CCN1CCC(NC(=O)NNC(=O)Cc2cccnc2)CC1 1318314356 PXFLLGAIYITNMB-UHFFFAOYSA-N 316.365 -0.058 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 1319663031 UNYVFXDZBUEZQW-UHFFFAOYSA-N 316.321 -0.775 50 20 DBGD COC(=O)c1cnc(C(=O)NNc2nccc(OC)n2)cn1 1319729166 LALXXZRUMJJYIS-UHFFFAOYSA-N 304.266 -0.181 50 20 DBGD CC(C)NC(=S)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1320789528 IENIPJWAGAXGQW-SECBINFHSA-N 322.456 -0.991 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1nccs1 1321034984 LZCWHVDQRXODEZ-SSDOTTSWSA-N 320.396 -0.839 50 20 DBGD C=CCNC(=S)NNC(=O)c1cnc2nc(O)nc(O)c2c1 1321175505 YLXUNKVZJOCMNQ-UHFFFAOYSA-N 320.334 -0.269 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)NC(C)C 1322510661 SFLFRETVXSGDFJ-UHFFFAOYSA-N 306.326 -0.388 50 20 DBGD CSCC[C@@H](O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1324086653 RBLCIHFPFIMFRT-VHSXEESVSA-N 310.441 -0.407 50 20 DBGD CN(C)C(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1329172827 PTPOZDDMQGATFN-NSHDSACASA-N 318.333 -0.572 50 20 DBGD CC(C)c1noc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1335419371 SJKBSNHKNRAXGX-MRVPVSSYSA-N 309.326 -0.448 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1=NOC2(CCNCC2)C1 1576903789 OYAQVLIGUVTULW-ZJUUUORDSA-N 310.354 -0.543 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccsc2-c2nn[nH]n2)nn1 1592565852 IHJRYYWHNVBVDO-UHFFFAOYSA-N 319.310 -0.869 50 20 DBGD O=C(O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CBr 1601756728 UXDWCYXXWFPYAK-PHDIDXHHSA-N 302.146 -0.422 50 20 DBGD COC(=O)COCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 1604940545 BGLLIBHFUJJNGK-UHFFFAOYSA-N 306.282 -0.501 50 20 DBGD N#C[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCO1 155580893 JZCXATGQVLTHLE-LBPRGKRZSA-N 306.297 -0.189 50 20 DBGD CC[C@H](NC(=O)NNc1ncccn1)C(=O)N1CCOCC1 267823108 YALYVBLBSZNECN-JTQLQIEISA-N 308.342 -0.260 50 20 DBGD CCOCCCNC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 490587841 MFNUPCAKAGQYBS-FLIBITNWSA-N 320.349 -0.466 50 20 DBGD CC[C@@H](C)NC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 584934641 VSFIWVYNQNXUOU-SECBINFHSA-N 310.134 -0.460 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](OCCO)C1 584966367 YFNVYNVRFILNLZ-NSHDSACASA-N 311.118 -0.881 50 20 DBGD C[C@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)c2ncnn21 585006576 OFPMHPSJQJNXQF-WRWORJQWSA-N 304.090 -0.467 50 20 DBGD CCS(=O)(=O)N(C)CCCNCc1ccc(B(O)O)cc1 585015819 MWTFVLGMGLUWLR-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD CC1CCN(C[C@@H](O)CNCc2ccc(B(O)O)cc2F)CC1 585021442 KTGDFUIBVRLCBW-HNNXBMFYSA-N 324.205 -0.312 50 20 DBGD C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)n1nnc(-c2ccccc2)n1 585068007 XTULQBMQUPDOBX-ZYHUDNBSSA-N 315.142 -0.024 50 20 DBGD O=C(CCN1CCCC1=O)NNC(=O)CNC(=O)c1ccco1 727712171 HCLUDIQMEZRPDL-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N(C)C 730272223 AIHSUTFPTMDOCW-NXEZZACHSA-N 305.400 -0.845 50 20 DBGD CCCCNC(=O)NNC(=O)CCC(=O)NCCNC(C)=O 735654121 GMMCTPORTGTYEK-UHFFFAOYSA-N 315.374 -0.851 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNc1ncnc2[nH]cnc12 740746642 YTZMFUUHXVNUOZ-UHFFFAOYSA-N 303.282 -0.665 50 20 DBGD CCN(CC)C[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 748462162 RZIRLPYBFNNUDM-LLVKDONJSA-N 313.402 -0.331 50 20 DBGD CC[C@@H](C)NC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 749764341 BYCQETGRHFKPQD-SFYZADRCSA-N 308.429 -0.350 50 20 DBGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)cnn1C 751208968 JTEDZNZWRZNSNF-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD COC[C@](C)(O)C(=O)NNc1nc2ccccc2c(=O)n1C 755008460 NEMUJHXOIVQUHS-AWEZNQCLSA-N 306.322 -0.226 50 20 DBGD CC[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCCO1 756739646 KPIYOVNEGUSQAC-WDEREUQCSA-N 312.370 -0.103 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 758000095 CHRRCNSFESNTDO-SECBINFHSA-N 312.351 -0.023 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)COCc2ccccc2)CCN1 760617814 UZCOQRIQWDBTHS-LBPRGKRZSA-N 305.334 -0.123 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)c1cccn1C 768849252 SIOVEGNPQOXZJW-UHFFFAOYSA-N 305.356 -0.748 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)NC)nc1 772090332 VLQFLNSNFPMAMK-MRVPVSSYSA-N 322.321 -0.456 50 20 DBGD CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CN(C)C)c1C 792268311 LMXVSIPQEJNANV-VIFPVBQESA-N 324.385 -0.190 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ncc(Cl)n1C 799478418 FOLSURJZPKAETF-LURJTMIESA-N 307.763 -0.539 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)Cc2cncn2C)C[C@@H](C)O1 806340674 UHJHIBWGQJADTH-VXGBXAGGSA-N 323.397 -0.391 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H](CC(=O)O)[C@H]1C 814835508 SLLCVSZODOJPAA-HRDYMLBCSA-N 319.383 -0.083 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C1CCCC1 823299827 GSQSNPJRGWMJMU-NSHDSACASA-N 312.370 -0.199 50 20 DBGD CCc1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 825731799 KJCYPUJAZKRSEW-MRVPVSSYSA-N 314.367 -0.657 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)NC1CCCC1 825815088 XRBVAJGZJAIDCC-KOLCDFICSA-N 312.370 -0.199 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1nnnn1C1CC1 826614578 OXYANDCTHMRQSN-QXFUBDJGSA-N 323.357 -0.176 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](n2cncn2)C1 827284071 UCNUDOSJPDAPFS-DCAQKATOSA-N 308.342 -0.309 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)c1cc[nH]n1)n1cccn1 855358990 AYEPXIRYLBUAGQ-SECBINFHSA-N 319.325 -0.913 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc3nonc23)N1 861058947 RBFTXBUBPZGCSA-QMMMGPOBSA-N 304.266 -0.346 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1cn[nH]c1 862469252 DJHVEUOSHYGMNE-AOOOYVTPSA-N 317.305 -0.878 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=S)NC(C)(C)C)C1=O 900001123 HLVVDLKFHGAUIJ-UHFFFAOYSA-N 301.372 -0.826 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cnc2n1CCOC2 905430683 ZXPBGITXSVACLY-LBPRGKRZSA-N 321.381 -0.168 50 20 DBGD O=S(=O)(CBr)N1CCN(c2nc[nH]n2)CC1 907341380 ZZRFIAAWXIADOD-UHFFFAOYSA-N 310.177 -0.391 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNc1ncnc3[nH]cnc13)CC2 1117635759 JKKYLSFETVLCTD-SSDOTTSWSA-N 313.325 -0.270 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCOC[C@@H]1C 1261451765 HVIYUYIFOYUFCE-SDDRHHMPSA-N 314.386 -0.538 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cn(-c2ccccc2)nn1 1319218314 FLBGCQMBKLKNIB-UHFFFAOYSA-N 318.293 -0.729 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1 1320600352 UQOBISRVPWUKAZ-UHFFFAOYSA-N 301.205 -0.776 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1C 1323981917 URALVHIZSXTHQF-SECBINFHSA-N 313.383 -0.629 50 20 DBGD C[C@H](NCc1ccccc1B(O)O)C(=O)NCC(F)(F)F 1336732770 STAWNITXYOVDFA-QMMMGPOBSA-N 304.077 -0.477 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NC1CCN(S(C)(=O)=O)CC1 1339863235 XNYDMTWXTXZMDB-UHFFFAOYSA-N 320.415 -0.213 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cn2c(C)cccc2n1 1341927368 TWUHCNUCTYBSBR-UHFFFAOYSA-N 305.294 -0.354 50 20 DBGD Cn1cc(C(=O)NNC(=O)CC(=O)NCC(F)(F)F)cn1 1341981870 BWFMMQUJXUKVMW-UHFFFAOYSA-N 307.232 -0.750 50 20 DBGD CN1CCN(C(C)(C)CNC(=O)c2cccc(B(O)O)c2)CC1 1351783407 MHEZZQNRHMQKOC-UHFFFAOYSA-N 319.214 -0.878 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN1C(=O)CCC1=O 1520746150 BJWGMPWEWWDTPO-UHFFFAOYSA-N 316.383 -0.991 50 20 DBGD CCn1nc(C)c(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1 1549314865 NEPAYFSTAMQNQU-DGCLKSJQSA-N 306.370 -0.080 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCNC[C@H]1c1nccn1C 1575398224 KVYVBSRSQUETBW-NSHDSACASA-N 308.386 -0.830 50 20 DBGD CN1CCC(OCC(=O)NNC(=O)CCCCCN)CC1 1578525251 CDAKZMRNBMQBIK-UHFFFAOYSA-N 300.403 -0.236 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CC[C@@H](CO)C2)n1 174701132 DRXLDYWLMMVOPX-SNVBAGLBSA-N 312.395 -0.544 50 20 DBGD CO/N=C/c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 263836809 XAEGYKXAFMUULX-OVCLIPMQSA-N 306.322 -0.048 50 20 DBGD CCN1CCN(CC(=O)NNc2ccc(OC)cn2)C(=O)C1=O 275503002 HNKGXUIINIERLZ-UHFFFAOYSA-N 321.337 -0.776 50 20 DBGD CC(C)(C)C(=O)NCCNC(=O)c1cc(B(O)O)ccc1F 584955805 PXEVNJIERYKPBV-UHFFFAOYSA-N 310.134 -0.602 50 20 DBGD O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1ccc(B(O)O)c(F)c1 584963836 ZGLACDSVIDUXMH-FIRSBJHFSA-N 307.130 -0.358 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ncccn1 743327831 JDWXJXZGIMWWIA-UHFFFAOYSA-N 305.319 -0.271 50 20 DBGD C#CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 753889536 PLDBNESYZRSDJI-UHFFFAOYSA-N 309.347 -0.604 50 20 DBGD C#CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 754080347 TYOWPWNWJOXFAL-UHFFFAOYSA-N 314.345 -0.775 50 20 DBGD CC(C)CCn1cc(C(=O)NNc2ccc(C(N)=O)nn2)nn1 757407982 OOCCLEUVIOYIQI-UHFFFAOYSA-N 318.341 -0.030 50 20 DBGD COCCOCCC(=O)NNC(=O)CNC(=O)c1cccnc1 764343688 QKGLCUBKNTVFJF-UHFFFAOYSA-N 324.337 -0.988 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1ccc([N+](=O)[O-])cc1 768246463 DXCASUKTYDFPAM-UHFFFAOYSA-N 307.266 -0.020 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CS(C)(=O)=O)C1 795083397 ASFCGVKXTNGUNS-ZJUUUORDSA-N 305.400 -0.701 50 20 DBGD CCNC(=O)NNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 845300443 UGLXHXMIMLZFNN-JTQLQIEISA-N 312.301 -0.733 50 20 DBGD NC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 845445224 LAYAMGSTUJDFQE-DTORHVGOSA-N 321.293 -0.197 50 20 DBGD C[C@@]1(C(=O)NNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 848160695 XBHREKXWVPWRDI-LBPRGKRZSA-N 309.282 -0.098 50 20 DBGD COCCC(=NNC(=O)CS(C)(=O)=O)C1CCOCC1 863186552 BNBBIXBGJBBQBT-UHFFFAOYSA-N 306.384 -0.034 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCNC1=O 868431859 WVDWACBSFVHJRB-LLVKDONJSA-N 305.334 -0.089 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C)N2CCSCC2)n[nH]1 869015531 RHOOKTJEDIYUBB-SNVBAGLBSA-N 311.411 -0.155 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@@H]2OCCN(C)C2=O)cc1 899947507 WJKXDPRCCTZVGL-LBPRGKRZSA-N 305.334 -0.133 50 20 DBGD CN1CC[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 1115832421 PNTPFGOCXQDVLF-MNOVXSKESA-N 317.411 -0.653 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccnc(C)n1 1116205096 NLPBFMYFCPKYRI-SECBINFHSA-N 311.342 -0.333 50 20 DBGD NC(=O)C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1 1118505637 FSXYCKREZRSPSL-QMMMGPOBSA-N 309.301 -0.228 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@H]1CCCS(=O)(=O)C1 1324392215 BQMCEKYLSHZLAD-SECBINFHSA-N 314.367 -0.306 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1324586493 IQFBXCNICSSUAF-MRVPVSSYSA-N 303.326 -0.587 50 20 DBGD Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331518033 BJMICDMDGSHRCK-XCBNKYQSSA-N 308.342 -0.601 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1339526857 WEIYCQVIEYHDPL-WDSKDSINSA-N 302.274 -0.233 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 1344535930 VEINLBSFDBRJJG-SECBINFHSA-N 307.354 -0.803 50 20 DBGD Cc1nc(C#N)c(N2CCC(C(=O)NNC(=O)CO)CC2)o1 1344728612 GLQMSIPGKQBJDX-UHFFFAOYSA-N 307.310 -0.789 50 20 DBGD Cc1cc(NNC(=O)C(=O)Nc2cncc(C(=O)O)c2)ncn1 1594325272 MGLIICJYHQBYRC-UHFFFAOYSA-N 316.277 -0.040 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594689566 XYJBTKYZVOLJMS-NSHDSACASA-N 305.290 -0.004 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)nn2C)cn1 1600931686 BWEGRAQRZYELHX-UHFFFAOYSA-N 307.270 -0.682 50 20 DBGD O=C(N[C@@]1(C(=O)O)CCSC1)c1cc(B(O)O)ccc1F 1601431725 OBAPOTGWIZAIFQ-LBPRGKRZSA-N 313.115 -0.804 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)Nc1ccnc(-c2nn[nH]n2)c1 1606851818 PMZWXXKUKDBPSS-SECBINFHSA-N 318.297 -0.407 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cc2ccc(C(=O)O)nc2)n[nH]1 1607580461 OKQUGFYXLIMVRM-UHFFFAOYSA-N 303.278 -0.185 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12 25401642 BEKXARCNXJKEHQ-SECBINFHSA-N 303.322 -0.072 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)C(=O)NC1CC1 263968768 WDAVIYOSHYPGMP-UHFFFAOYSA-N 319.383 -0.983 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)C1CCC1 264780202 QAZUOEAUPJMSAQ-XRRVDJEJSA-N 317.345 -0.259 50 20 DBGD Cc1nc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c[nH]1 264858578 OUYNWSNKEDEXCD-NXEZZACHSA-N 309.370 -0.022 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(=O)(=O)CC(C)C)[nH]n1 268985734 CIOSJJRJHZZGAE-UHFFFAOYSA-N 302.356 -0.450 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(N)nc(Cl)c2)CC1 287718314 FVCOORVHRXNDNS-UHFFFAOYSA-N 312.761 -0.081 50 20 DBGD O=C(CO)NNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 367733610 XXJBEEQGYQXJDT-CYBMUJFWSA-N 307.350 -0.583 50 20 DBGD Cc1c(C(=O)Nc2cccc(B(O)O)c2)nn2c1OCCC2 584912263 QMEYOGPEDFSSBX-UHFFFAOYSA-N 301.111 -0.094 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)C1CN(CC(F)(F)F)C1 584914496 YHMFCRIRTDSKAT-UHFFFAOYSA-N 302.061 -0.201 50 20 DBGD CC(=O)N1CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584925587 JPTXAIRMTKDAMT-UHFFFAOYSA-N 308.118 -0.754 50 20 DBGD CC1CCN(CCNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584929883 RDUMFLXZLCTGBZ-UHFFFAOYSA-N 308.162 -0.033 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584959162 YUUWEJWQGLUJBR-YMTOWFKASA-N 306.146 -0.282 50 20 DBGD Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584969088 JFMRKHKKVHAIDZ-LBPRGKRZSA-N 300.127 -0.528 50 20 DBGD C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584985674 OHUOHOBXJJTXME-VRNWYBPDSA-N 313.159 -0.513 50 20 DBGD C[C@H]1CN(CCNC(=O)c2cc(B(O)O)ccc2F)[C@H](C)CO1 585006567 ODXXTAHPPACYEX-MNOVXSKESA-N 324.161 -0.656 50 20 DBGD OB(O)c1ccc(CNC2CCN([C@H]3CCOC3)CC2)cc1 585049351 DOSNJQKEXCNBSU-INIZCTEOSA-N 304.199 -0.291 50 20 DBGD O=C(CCNC(=O)N1CCc2ccccc2C1)NCB(O)O 585060099 MTNZBMBVTLEOGD-UHFFFAOYSA-N 305.143 -0.727 50 20 DBGD O=C(CN1C[C@@H](C(=O)O)Oc2ccccc21)NNC(=O)C1CC1 739272069 BNAYHCYGNNGDFS-LBPRGKRZSA-N 319.317 -0.104 50 20 DBGD CC[C@H](NC(=O)NNC(=O)C1CCC1)C(=O)N1CCOCC1 753046520 IVMOPEDBWCYMGT-NSHDSACASA-N 312.370 -0.246 50 20 DBGD COCC(=O)NNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C 756826155 ALOJKVLHHAYPRP-UHFFFAOYSA-N 323.353 -0.354 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@H]1CC[C@@H](C)O1 758050250 AGZUBKSJTOYBJZ-KXUCPTDWSA-N 321.399 -0.581 50 20 DBGD C#C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[C@@H]1CCCO1 776225644 QHUHMUVLCBNEPN-GVXVVHGQSA-N 315.395 -0.452 50 20 DBGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CO)c1 777782153 UBBNZNUWLHFIBD-UHFFFAOYSA-N 315.351 -0.953 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 786739861 JWYNHWRAUYKZRQ-MWLCHTKSSA-N 315.395 -0.805 50 20 DBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 799865130 XGCPVJZZNOLEMS-QCLAVDOMSA-N 304.368 -0.618 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 806293172 WLGCXFKWOFPVJW-SECBINFHSA-N 305.290 -0.203 50 20 DBGD CC(C)(O)C(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 807983648 SVPPXVUJVFUCOI-UHFFFAOYSA-N 303.315 -0.306 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](CO)[C@H](O)C2)cc1 808751943 QAATXOPZQKBVBT-ZIAGYGMSSA-N 321.377 -0.569 50 20 DBGD O=C(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)NNC(=O)C(=O)NC1CC1 813786734 OEOOKXOZPFMEHQ-YHAQOWFVSA-N 324.381 -0.463 50 20 DBGD CCN(CCO)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 823833821 KILWCQQPLFUDFP-TXEJJXNPSA-N 311.382 -0.103 50 20 DBGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1 827185137 NAYDILVTNUHJOY-MNOVXSKESA-N 318.333 -0.074 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 841399904 OHEJEOUBMFGWRP-UFBFGSQYSA-N 317.305 -0.479 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843980342 UARRPGUASVHHSG-UWVGGRQHSA-N 321.399 -0.722 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 843980783 WPCJZXASFABZRN-CHWSQXEVSA-N 312.414 -0.414 50 20 DBGD CCCn1nccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 853302753 GUXLNYIYAORHDG-SECBINFHSA-N 301.372 -0.319 50 20 DBGD NC(=O)C1=NO[C@H](CNC(=O)NNc2ncc(Cl)cn2)C1 856903927 WBAVDCBXRFWCRN-LURJTMIESA-N 313.705 -0.614 50 20 DBGD C#CCN(CC(=O)NNC(=O)CN(C)C)C(=O)OC(C)(C)C 857110329 VCUXPAZNOGTEGG-UHFFFAOYSA-N 312.370 -0.434 50 20 DBGD CC(C)OC(=O)NNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 863409738 KBXYNUSHWJLBPT-UHFFFAOYSA-N 307.288 -0.344 50 20 DBGD COc1c(F)ccc(F)c1C(=O)NNC(=O)CS(C)(=O)=O 863462102 GXURVOVKQNHDJK-UHFFFAOYSA-N 322.289 -0.221 50 20 DBGD CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 863871891 FXEQIDLBZUDVBH-ZDUSSCGKSA-N 305.139 -0.076 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cccc(OCC(N)=O)c1 912994629 WNJXVMMMDYKLRB-UHFFFAOYSA-N 316.317 -0.036 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CN1 915799586 RUEFRMUKNVBUPB-SECBINFHSA-N 306.278 -0.118 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)cc1O 919751254 KSLSZQAHYBTUNV-UHFFFAOYSA-N 306.727 -0.149 50 20 DBGD CCN1CCC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 925982322 JBQWGIZCDJLOPD-MNOVXSKESA-N 312.370 -0.103 50 20 DBGD C#Cc1cncc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1116893813 XJWFCUWNUBWBRX-SNVBAGLBSA-N 307.331 -0.741 50 20 DBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)C1CCOCC1 1255829299 GIEPMISZFFLBMK-GHMZBOCLSA-N 301.343 -0.453 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNc3ccn(C)n3)CC2=O)cn1 1329287380 IUGNGFNJBMRUTF-SECBINFHSA-N 303.326 -0.350 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1C 1329569943 NVWKLZHDUKIPAR-APPZFPTMSA-N 302.356 -0.537 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2C(=O)CNC2=O)c1C 1347848234 XNOVUOYBQYMOGH-UHFFFAOYSA-N 320.305 -0.223 50 20 DBGD Cc1noc(Cl)c1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1351628690 SRBLGXRXKLNFJV-SSDOTTSWSA-N 300.702 -0.395 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN1CCNCC1 1576295681 SIVUQCSDWDDZRR-NSHDSACASA-N 324.356 -0.354 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591471577 AWSIGWYLQMKALE-RKDXNWHRSA-N 320.313 -0.698 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ncon2)ncc1-c1nn[nH]n1 1591930452 WYGCOZWDZWCJOD-UHFFFAOYSA-N 315.253 -0.972 50 20 DBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cccc(F)n1 1593156178 NVEDLXPETXWHNO-UHFFFAOYSA-N 316.256 -0.196 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)nc1O 1594492354 BNTOXTQFPVRMER-SFYZADRCSA-N 311.298 -0.401 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)C(=O)O)NC(=O)OC(C)(C)C 1595150116 PMLLWEWHSISVTK-ZETCQYMHSA-N 318.330 -0.295 50 20 DBGD CN1C[C@@H](CNC(=O)NNC(=O)C(=O)O)[C@H](c2ccccc2)C1 1598628534 GVYWLWSTRFWCOM-NEPJUHHUSA-N 320.349 -0.253 50 20 DBGD O=C(O)c1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)c(F)c1 1602384359 FVIIYAAOGKOJDF-SECBINFHSA-N 317.298 -0.341 50 20 DBGD O=C(NCc1ccco1)NNC(=O)C1(C(=O)O)CCOCC1 1605814045 WEYMNZXIVZSPDM-UHFFFAOYSA-N 311.294 -0.009 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)C2CCC2)cnn1CC(=O)O 1610418063 FDYDXPORAJXNPF-UHFFFAOYSA-N 323.309 -0.838 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H]2CO)c1 165501620 AWBCNZUGZUKZBU-CYBMUJFWSA-N 302.334 -0.224 50 20 DBGD CN(C)CC(=O)NNC(=O)COc1ccc2ccc(=O)oc2c1 263912627 MJMFULLZGBMJJA-UHFFFAOYSA-N 319.317 -0.119 50 20 DBGD Cn1c(NNC(=O)CN2CCCC2=O)nc2ccccc2c1=O 264966613 NCNQBJVFANYCID-UHFFFAOYSA-N 315.333 -0.001 50 20 DBGD COCCN1CC[C@H](NC(=O)NNc2nccc(OC)n2)C1 265720705 GNMNUVPAPZAOHB-JTQLQIEISA-N 310.358 -0.168 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ccc(Cl)nn1 298700563 VUDGEAJPDRHTCT-UHFFFAOYSA-N 322.778 -0.305 50 20 DBGD CN(CCNC(=O)c1cccc(B(O)O)c1)CC(F)(F)F 584943717 FRJOAMIOAFCIDJ-UHFFFAOYSA-N 304.077 -0.410 50 20 DBGD O=C1CC[C@H](NC(=O)c2cccc(B(O)O)c2)[C@@H](C2CC2)N1 584986878 DSFBWRPASRTMKW-GXTWGEPZSA-N 302.139 -0.847 50 20 DBGD CC(C)N(CCCNCc1ccc(B(O)O)o1)S(C)(=O)=O 585015395 BGVIMIONHOGGII-UHFFFAOYSA-N 318.204 -0.891 50 20 DBGD O=C1[C@H](NCc2ccccc2B(O)O)CCN1CC(F)(F)F 585022946 AEPZEAIXNZGOSL-LLVKDONJSA-N 316.088 -0.381 50 20 DBGD O=S1(=O)CCC[C@@H](CNCc2ccc(B(O)O)cc2F)C1 585040282 IACPSQRZJJBOCL-JTQLQIEISA-N 315.175 -0.580 50 20 DBGD CC(=O)NCCCNC(=O)NNC(=O)COc1ccccc1O 730822522 VTZUHHQLQHRGHL-UHFFFAOYSA-N 324.337 -0.372 50 20 DBGD CC(C)(C)CC(=O)NCC(=O)NNC(=O)N1CCOCC1 745996226 RAQDIVCRCNDGHN-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCCN1CCCC1 748617040 VNHWJSGTDVURJQ-LBPRGKRZSA-N 316.402 -0.146 50 20 DBGD C[C@H]1CN(C)CC1=NNC(=O)C(=O)NN=C1CN(C)C[C@@H]1C 752156026 VZVOVZBHSBYGAN-UWVGGRQHSA-N 308.386 -0.906 50 20 DBGD Cc1cc(C(=O)NNC(=O)N=c2cc[nH]cc2[N+](=O)[O-])n[nH]1 757805315 HJHNQFSTSYUAKZ-UHFFFAOYSA-N 305.254 -0.090 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1cccnc1)[C@H]1CN(C)CCO1 769995021 DSAXKOKGOZVZFK-WCQYABFASA-N 321.381 -0.326 50 20 DBGD CN(C)c1cnc(C(=O)NNC(=O)Cc2ccncc2)cn1 779668498 ABFUTRXRZAQSAG-UHFFFAOYSA-N 300.322 -0.059 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1ncccc1F 792118242 XLYLHCWOAMXCPV-UHFFFAOYSA-N 320.280 -0.066 50 20 DBGD Cc1nc(O)c(Br)cc1C(=O)NNC(=O)CO 807197438 AVDFFCZBBYIDQE-UHFFFAOYSA-N 304.100 -0.389 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825660327 MHZCFZUXFBYNHE-IJLUTSLNSA-N 314.386 -0.538 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 831790195 JMVNWGOUTNEHJL-MRVPVSSYSA-N 305.331 -0.680 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)NC[C@@H](C)CN)cc1 841963393 RBRJHBFALZMOOS-JTQLQIEISA-N 310.354 -0.001 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)C1(n2cnnn2)CC1 854217328 KJRAJLQZJNSYMX-UHFFFAOYSA-N 320.284 -0.472 50 20 DBGD C[C@H](NC(=S)NNC(=O)C1=NN2CCCN=C2N1)C1CC1 855096416 AHTABWRBMBVMGQ-ZETCQYMHSA-N 309.399 -0.741 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 858569759 NQAALHOWDQTADV-RYUDHWBXSA-N 300.318 -0.030 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 861963385 ZAEAIONNBUCDKZ-QMMMGPOBSA-N 310.383 -0.760 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 863401165 RHAGFHQRQNYXEH-UHFFFAOYSA-N 324.362 -0.356 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@H]1C1OCCO1 863871873 FFDZDOSMPMBIMG-ZDUSSCGKSA-N 305.139 -0.266 50 20 DBGD COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1ccc(B(O)O)cc1 863878485 GMZCZHHKYXFHKQ-GXFFZTMASA-N 305.139 -0.220 50 20 DBGD CC[C@]1(C(=O)NNC(=S)NCCSC)CCNC1=O 867162264 JFZHLEYEXNXUEF-NSHDSACASA-N 304.441 -0.239 50 20 DBGD CNC(=O)NNC(=O)c1nn(C)cc1I 900352750 KCZBEKCHFMKSFZ-UHFFFAOYSA-N 323.094 -0.402 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=S)NCC2CCC2)C1=O 912109584 GWVBBDRPSPBAJQ-VIFPVBQESA-N 300.384 -0.861 50 20 DBGD Cn1nncc1NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 1117723979 SQAMVZQRZYZRFN-UHFFFAOYSA-N 321.341 -0.487 50 20 DBGD C[C@H](NC(=S)NNC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 1118702722 HUHFGCYFMSWKBH-POYBYMJQSA-N 313.383 -0.732 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2cnn(C)c2)c1C 1318558505 PWUSDIGHCANCKY-UHFFFAOYSA-N 304.310 -0.795 50 20 DBGD CN(C)c1nccc(NNC(=O)C[C@H]2CCS(=O)(=O)C2)n1 1318770981 KYZBFZVTGOOJPD-SECBINFHSA-N 313.383 -0.190 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccon1 1318906007 DWIARFCSRBYXGQ-UHFFFAOYSA-N 307.266 -0.472 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCc1nc2ccccc2[nH]1 1320861944 IVFDZEYNYADAON-UHFFFAOYSA-N 319.321 -0.001 50 20 DBGD CC(=O)Nc1ncc(S(=O)(=O)NNC(=O)N(C)C)s1 1324052603 FBPCQRDCPXSKJX-UHFFFAOYSA-N 307.357 -0.434 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](O)[C@H]1C(=O)O 1589693729 ZELPNCHFPILDCS-WPRPVWTQSA-N 301.343 -0.910 50 20 DBGD CCOc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cn1 1597138059 ZSISHDKEEBCVHG-UHFFFAOYSA-N 318.311 -0.943 50 20 DBGD O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(B(O)O)c1)C2 1601787218 UIUQFJGYNWCUJX-OASPWFOLSA-N 303.123 -0.308 50 20 DBGD O=C(O)CC1(CC(=O)NNC(=O)C(=O)NC2CC2)CCCC1 1601913400 FEUNPMHXMUUFHX-UHFFFAOYSA-N 311.338 -0.162 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1)C(=O)Nc1ccccn1 1605815585 OKJKGFQJFZYPDM-DTWKUNHWSA-N 320.305 -0.332 50 20 DBGD COCCOc1ccccc1CNC(=O)NNC(=O)C(=O)O 1606917061 AUTKHNMUXQFDNN-UHFFFAOYSA-N 311.294 -0.373 50 20 DBGD Cn1cc(C(=O)CCC(=O)NNC(=O)N2CCOCC2)cn1 279721354 USPPNMYRZYUXHB-UHFFFAOYSA-N 309.326 -0.544 50 20 DBGD COc1ccnc(NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1 362870620 FVWWSOAKJWQATI-MRVPVSSYSA-N 317.309 -0.296 50 20 DBGD CCNC(=O)N(C)NC(=O)CNC(=O)OCC(F)(F)F 495089588 VJGMLWQZYXNXKC-UHFFFAOYSA-N 300.237 -0.033 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@]2(CCCOC2)O1 584984798 ZDTXDAIZUDSCSQ-WBMJQRKESA-N 319.166 -0.224 50 20 DBGD O=C1CCCN1C[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 585008902 OATORMJWBWTSRI-LBPRGKRZSA-N 316.166 -0.549 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)o1)C(=O)NCCc1ccccc1 585045426 AKSCWNSUHMYGJY-GFCCVEGCSA-N 316.166 -0.204 50 20 DBGD CN1CCC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1=O 585054304 KWAZIZFHARFQON-NSHDSACASA-N 301.111 -0.248 50 20 DBGD CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCB(O)O 585056382 UGXHKAOEEAXHSI-LBPRGKRZSA-N 307.159 -0.361 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN1CCCC1=O 726077261 TXOCYWRHKPTUFZ-UHFFFAOYSA-N 302.400 -0.517 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCCNC(=O)C2)cc1 726790761 DOSOQLPIMPMWCC-UHFFFAOYSA-N 304.350 -0.422 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCOC[C@H]2CCCO2)cn1 735514837 FJKBYJKKOOLDJA-LLVKDONJSA-N 311.342 -0.440 50 20 DBGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)NC)cc1 741672713 PGPYLVOGENDUAF-UHFFFAOYSA-N 314.367 -0.300 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)Cn1ccc([N+](=O)[O-])n1 747322637 GSXIBWPUGIOCGH-UHFFFAOYSA-N 304.266 -0.424 50 20 DBGD O=C(CO)NNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 753438660 POSGULSTNZICLO-UHFFFAOYSA-N 311.382 -0.009 50 20 DBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)Cc1ccncc1 765780020 CYUFYPUMEYWINC-RYUDHWBXSA-N 319.365 -0.131 50 20 DBGD CC(=O)NCC(=O)NCC(=O)OC[C@H](C)CBr 770348944 GWRFVYPONZZXLO-SSDOTTSWSA-N 309.160 -0.187 50 20 DBGD CN(NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)C(N)=O 779543544 VXJWJYFPMDCANY-BDAKNGLRSA-N 310.335 -0.268 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ccnc(F)c1 781355742 KDIOPUYHLNYRCY-LLVKDONJSA-N 323.328 -0.209 50 20 DBGD Cc1c(C(=O)NNC(=O)CC2CC2)nnn1-c1ccn(C)n1 819110367 ZWDQKCADVNOSQM-UHFFFAOYSA-N 303.326 -0.130 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)NCC(F)F 827274792 QSFNXZZYOAHOJD-RQJHMYQMSA-N 308.285 -0.877 50 20 DBGD COCCN1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1 836317922 JVKCTQFVLNKHJB-VXGBXAGGSA-N 314.386 -0.393 50 20 DBGD NCC(F)(F)CNC(=O)NNc1ccc(-n2cccn2)nn1 841971364 NNUNJKHNRRRHHO-UHFFFAOYSA-N 312.284 -0.118 50 20 DBGD CC(C)NC1(CO)CCN(CC(=O)NNC(=O)C2CC2)CC1 846935119 DHLIPGPPYCDHEF-UHFFFAOYSA-N 312.414 -0.631 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 847544267 WXZGFXKPRAUKFW-WDEREUQCSA-N 315.333 -0.464 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)CC1 849310435 XOEFPQLJBCFBRS-LLVKDONJSA-N 321.399 -0.468 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(F)c1 858296583 QWKDHBQJHNTARO-LLVKDONJSA-N 324.312 -0.057 50 20 DBGD CN(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)c1cccs1 862450823 BTPIFDHZFODRFD-MRVPVSSYSA-N 324.362 -0.754 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccccc1OCC(=O)O 863188868 QLZZXZHWFQMVQI-UHFFFAOYSA-N 314.319 -0.355 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc2c(c1)OCO2 863460368 UQWXYCATZOZOFX-UHFFFAOYSA-N 314.319 -0.850 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)CC1(C)OCCO1 863874011 NEMHPZZERVSJNO-NSHDSACASA-N 307.155 -0.115 50 20 DBGD CC(C)(NC(=O)c1ccc(B(O)O)cc1)C(=O)N1CCCC1 867957745 XEHCWYCICXYQAV-UHFFFAOYSA-N 304.155 -0.503 50 20 DBGD CC(C)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 915777495 SLFWWKRWRAMURP-FSZOTQKASA-N 305.334 -0.403 50 20 DBGD O=C(CC1(O)CCCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1252383138 LCAQTDXUQBGODH-VIFPVBQESA-N 304.368 -0.736 50 20 DBGD COC(=O)[C@H]1C[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 1262675463 OAYLMGHIHHYQFQ-AXFHLTTASA-N 318.395 -0.322 50 20 DBGD CC(C)c1ncc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]1 1318673492 JZMVQIMWHZPROC-MRVPVSSYSA-N 314.367 -0.271 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1320519930 BIZKUPWGEYKBCE-MRVPVSSYSA-N 308.338 -0.174 50 20 DBGD CN(C)N(C(=O)CCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1324142257 CLQAWOIOGCMIAG-JTQLQIEISA-N 319.383 -0.679 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)c1ccnnc1 1327169319 YLVVBEKCPXHIIG-UHFFFAOYSA-N 301.310 -0.514 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(O)n1 1329547771 NDYQPMTUVYRENU-WCBMZHEXSA-N 308.338 -0.086 50 20 DBGD COc1ccncc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329745425 KAFGTWQXVDDCDR-VIFPVBQESA-N 307.310 -0.801 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(NS(C)(=O)=O)nc1 1329777673 NGVPGAXYNGFOEN-UHFFFAOYSA-N 301.328 -0.631 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NN(C)[C@@H](C)CO)CC1 1336010527 HJXSYJHPRMBZJQ-JTQLQIEISA-N 307.416 -0.608 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C(F)(F)c2nccs2)N1 1348388892 RJRHYZMSAOHFDF-RXMQYKEDSA-N 304.278 -0.339 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)N1CCNCC1=O 1575072652 WLFLWIKCAPUPRZ-SNVBAGLBSA-N 315.333 -0.860 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 1591472088 OZLWMLXYWXOQRM-GHMZBOCLSA-N 319.325 -0.093 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)c1=O 1594551421 DETAWHOUIYLSIW-BDAKNGLRSA-N 310.310 -0.507 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)O 1596463204 UGBQBJWCNGGZHF-UHFFFAOYSA-N 311.298 -0.348 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H]2CCO[C@H]2C(=O)O)n1 1607350553 JFARDGMRKKIHFZ-VXNVDRBHSA-N 311.298 -0.399 50 20 DBGD Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1C(=O)O 1607819418 OUEGICZYAUUZQR-VIFPVBQESA-N 313.140 -0.069 50 20 DBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)O)C2 1799270668 SDWHWLUPKNRLIW-SVNGYHJRSA-N 318.801 -0.026 50 20 DBGD CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835199765 JBNAAUQAGBYYAC-PWSUYJOCSA-N 308.737 -0.003 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ncn(-c2ccccc2)n1 271066213 CKDCXONMZAOMDA-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD O=C(CN1CC(=O)N(C2CC2)C1)NNC(=O)c1ccccc1 279215677 WQGWPQYSEZZPOW-UHFFFAOYSA-N 302.334 -0.288 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1cnccn1 280311169 NPBSCUHIJLEPDZ-CQSZACIVSA-N 303.322 -0.159 50 20 DBGD O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)C(=O)NC1CC1 298361552 RSZZNQZYAXRDDA-UHFFFAOYSA-N 322.277 -0.600 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NN=C1CCS(=O)(=O)C1 494624705 LUBKSHFUACPXLV-UHFFFAOYSA-N 305.356 -0.198 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494743327 YDYMOEMNNDYJRZ-ZETCQYMHSA-N 318.330 -0.597 50 20 DBGD CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 495270899 NUPPVFSSXIUYQE-JTQLQIEISA-N 323.353 -0.032 50 20 DBGD CN(C)CCCN(CCC#N)C(=O)c1ccc(B(O)O)c(F)c1 584933821 LPDWZHMHPZGFPK-UHFFFAOYSA-N 321.161 -0.187 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584945986 NNMWTPOJRHGABP-QMMMGPOBSA-N 317.147 -0.942 50 20 DBGD O=C1CN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]2CCCC[C@@H]2N1 584958430 OGDZSJBJPYKQCZ-QWHCGFSZSA-N 320.129 -0.611 50 20 DBGD CC(=O)N1CCC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584986325 ZVNHRUFHTHIPJB-NSHDSACASA-N 322.145 -0.506 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](C(F)(F)F)[C@H]1CO 584989953 LUTQJBUCHJCSOX-GHMZBOCLSA-N 317.072 -0.248 50 20 DBGD CC(C)(C)NS(=O)(=O)CCNCc1ccccc1B(O)O 585019313 JDADPIWIYLAGPN-UHFFFAOYSA-N 314.216 -0.826 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 737454113 YVSOACJZULARSC-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CCN(CC(=O)N(C)C)[C@H](C)C(=O)NNC(=O)CC(C)C 741788697 ZKRMMGASHXVXSY-LLVKDONJSA-N 300.403 -0.022 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCC(C)(C)C1 758024441 GBBITFLDXOFIBE-BDAKNGLRSA-N 305.400 -0.102 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccccc1OCC(N)=O 761816581 JKDSKJRMYHSEQG-UHFFFAOYSA-N 316.317 -0.036 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(CC(C)C)nn1C 764299149 DAGVXWZVMDBPHJ-UHFFFAOYSA-N 311.342 -0.649 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCOC[C@H]1OCCOC 777279885 VQZOCDURJFFXKI-WDEREUQCSA-N 319.358 -0.826 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 791199207 GZSBFDBFPMDNDJ-UHFFFAOYSA-N 304.266 -0.015 50 20 DBGD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)COC 810387093 FKUNVYXTWXMMJR-UHFFFAOYSA-N 324.293 -0.111 50 20 DBGD CCNC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C 813423844 AMKKYFJSPZYXHW-NSHDSACASA-N 324.385 -0.167 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 823558575 KKUGNRBHPBCNGO-NTSWFWBYSA-N 312.317 -0.232 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCOCCF)n1 824330555 IEVRMLBSMYOKAQ-UHFFFAOYSA-N 301.322 -0.184 50 20 DBGD CN(C)CCn1cc(NC(=O)NNC(=O)c2ccnnc2)cn1 844831807 SJTCLHKDOGLQLL-UHFFFAOYSA-N 318.341 -0.299 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(Cl)cc1 845073518 UYLKWEZXDQQOQF-SECBINFHSA-N 317.754 -0.207 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2cccc([N+](=O)[O-])c2)CC1 845855737 NYUYMVIUMOWPKY-UHFFFAOYSA-N 300.296 -0.141 50 20 DBGD CC1(C)C(=O)N[C@@H]1C1CCN(CC(=O)NNC(=O)C2CC2)CC1 846929056 JYBGOFDJRQMAFI-CYBMUJFWSA-N 322.409 -0.220 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC#Cc2ccccc2)N1 858125888 OYBVRXWACXCFNJ-GFCCVEGCSA-N 300.318 -0.353 50 20 DBGD CC(C)[C@H](O)C1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858697302 RGMONDZXMKBPBO-ONGXEEELSA-N 312.370 -0.608 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)c3cn[nH]c3)nn2)COC1 862470570 HTTFODHIHHKCAD-UHFFFAOYSA-N 305.298 -0.888 50 20 DBGD CNc1cc(C(=O)NNC(=O)CS(C)(=O)=O)cc(Cl)n1 863463623 PBEJCMRDGILOCA-UHFFFAOYSA-N 320.758 -0.418 50 20 DBGD COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC[C@@H](B(O)O)C1 864232012 VGWVHTSBECQAQA-GMTAPVOTSA-N 319.188 -0.403 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NN(C)[C@@H](C)CO)C1 911445156 NJRMPAHFKCETKW-RYUDHWBXSA-N 301.387 -0.395 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2cccc(F)c2)cn1 1254905527 ORUYGJMOEMFGCJ-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD C[C@@H](C(=O)NNc1nncc(N)c1Cl)N1CCN(C)CC1 1319218515 FCRQWMDOBYYYEQ-QMMMGPOBSA-N 313.793 -0.209 50 20 DBGD CS(=O)(=O)N1CCC(NC(=O)NNc2cccnn2)CC1 1319295262 DXCNLVHKGNNZJV-UHFFFAOYSA-N 314.371 -0.473 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(=O)n(CC)n1 1320492227 WEHKZUHKMHOOCO-MRVPVSSYSA-N 310.310 -0.634 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnc(Cl)cn1 1321100129 FSCLUGKMXKLQCF-LURJTMIESA-N 318.742 -0.674 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc(C3OCCO3)s2)cn1 1322969406 STEFVZDNVVMFOB-UHFFFAOYSA-N 323.334 -0.003 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cccc(F)n1)C(=O)NCCF 1329924695 AVZNCLYPPPWKIW-ZETCQYMHSA-N 315.280 -0.361 50 20 DBGD C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)n1ccnc1 1330192618 PKKZWJFQIPXODQ-WDEREUQCSA-N 300.384 -0.064 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1335082872 FPQVGZCLBATIRR-SCZZXKLOSA-N 312.370 -0.647 50 20 DBGD CC(=O)CCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1337845789 SQZMSOMBFVBPNZ-VIFPVBQESA-N 305.356 -0.737 50 20 DBGD COc1nccnc1NNC(=O)C[C@@H]1CCS(=O)(=O)C1 1337980387 FDRZFQIDXXJZET-QMMMGPOBSA-N 300.340 -0.247 50 20 DBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1349432141 FHRZSANEIFBRQV-ZJUUUORDSA-N 308.338 -0.208 50 20 DBGD CC[C@@H]1NCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1577308834 PLVOKGCPHMVQOW-MELADBBJSA-N 324.425 -0.225 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3NCCC3(C)C)nc21 1580008797 ABCLMJSFQRFFIU-QMMMGPOBSA-N 305.342 -0.100 50 20 DBGD O=C(N[C@H](C[C@H]1CCCOC1)C(=O)O)c1ccc(B(O)O)cc1 1601411439 QITYXHBZUVNMJF-ZWNOBZJWSA-N 321.138 -0.634 50 20 DBGD COC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)c(OC)c1 1609291921 ILZYRFBFAFOZPH-UHFFFAOYSA-N 304.266 -0.502 50 20 DBGD O=C(NCc1cnn(Cc2ccccc2)c1)NNC(=O)C(=O)O 1610698755 JIAGIBZENCIIEF-UHFFFAOYSA-N 317.305 -0.154 50 20 DBGD O=C([C@@H]1CCCO1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353798 QJCBJNJBRBCFPL-MNOVXSKESA-N 316.785 -0.032 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)CC(=O)NC1CC1 102695231 FUBABMUUSUHXTF-UHFFFAOYSA-N 310.379 -0.281 50 20 DBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)NCC2CC2)C1 139320857 ZSOGLUDDAMJJQK-JTQLQIEISA-N 318.399 -0.602 50 20 DBGD CN(NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(N)=O 276240184 ZVRFTNXGKYYZOV-MNOVXSKESA-N 310.354 -0.531 50 20 DBGD O=C(O)c1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)c1 291841522 GVOPVMVCWQKPJN-JTQLQIEISA-N 314.319 -0.127 50 20 DBGD CCN1CCN(CCC(=O)Nc2cccc(B(O)O)c2)CC1 584913334 UIVYBSGRLMLASH-UHFFFAOYSA-N 305.187 -0.668 50 20 DBGD COCCN1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 584943139 JDOBRKWVZWRTAL-LBPRGKRZSA-N 306.171 -0.936 50 20 DBGD C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584973536 OCFLKLFTCWLDGI-ZPWHCFADSA-N 301.148 -0.656 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(c2ncc[nH]2)CC1 584982010 HBBQRAJGWPNIDM-UHFFFAOYSA-N 300.127 -0.948 50 20 DBGD C[S@@](=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CCC1 584985338 KNMIZHTVUUYPQQ-OAQYLSRUSA-N 313.159 -0.464 50 20 DBGD O=C(C1CC1)N1CCC(NCc2cccc(B(O)O)c2)CC1 585012668 PDEUMLCKKLGJOQ-UHFFFAOYSA-N 302.183 -0.143 50 20 DBGD COc1cc(S(=O)(=O)NCB(O)O)ccc1Br 585056380 UGAIRMZPCSECKR-UHFFFAOYSA-N 323.961 -0.252 50 20 DBGD COc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1OC 585057484 FNGQGAWNANUBCU-VIFPVBQESA-N 315.156 -0.059 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 728436683 IDBWUNSFTQPQTI-MRVPVSSYSA-N 314.323 -0.017 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)Cc1cccnc1 729052015 DFEISFPWTNFQEW-UHFFFAOYSA-N 309.370 -0.467 50 20 DBGD Cn1cc(N2CC[C@@H](NC(=O)NNc3cccnn3)C2=O)cn1 737048547 WDKKVNQRMIQWPV-SNVBAGLBSA-N 316.325 -0.358 50 20 DBGD O=C(COC(=O)[C@H]1C[C@H]1C(=O)O)NNC(=O)c1ccccc1 739317235 AANGXKDKIIVRII-ZJUUUORDSA-N 306.274 -0.289 50 20 DBGD CN(CCN1CCOCC1)CC(=O)NNC(=O)C(C)(C)C 744399478 OJAQKVWWNKAJLQ-UHFFFAOYSA-N 300.403 -0.556 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)N1CCOCC1 745730047 LSDQCQOVCWDWMF-UHFFFAOYSA-N 304.372 -0.640 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCOC[C@H]2C#N)n1 746478990 SOPMPDBUUSZMCQ-SNVBAGLBSA-N 323.378 -0.634 50 20 DBGD O=C(CCOC1CCOCC1)NNC(=O)N1CCOCC1 753295666 VIJBTFHRXWJUEU-UHFFFAOYSA-N 301.343 -0.355 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)CC(C)(CO)CO)cc1 759167765 OZSBYGHGPBAZCB-UHFFFAOYSA-N 323.393 -0.321 50 20 DBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 774777652 YORHHNKLXSAHJG-GHMZBOCLSA-N 314.386 -0.001 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)CC(F)(F)F 812692990 JHNVOKPEHXVUCM-UHFFFAOYSA-N 320.293 -0.839 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(C(=O)O)c1 814835374 PIXCKDWTJDDUAE-MRVPVSSYSA-N 313.335 -0.227 50 20 DBGD COC(=O)c1ccc(NNC(=O)NCc2nnn(C)n2)c(F)c1 838572989 HGLOWIQTEGQRFI-UHFFFAOYSA-N 323.288 -0.038 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839483348 ZKFIRDZLIVDJMU-PSASIEDQSA-N 308.294 -0.080 50 20 DBGD CCC[C@H](C(=O)NNC(=O)c1cccc(F)n1)S(N)(=O)=O 856427222 RXDZIPFUYIWUQP-MRVPVSSYSA-N 318.330 -0.561 50 20 DBGD C[C@]1(CNC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1Br 857385151 DXZNPYISLCYPIG-QUBYGPBYSA-N 316.159 -0.333 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1noc2c1CCCC2 863460308 RYDUTUSNEDOEDO-UHFFFAOYSA-N 301.324 -0.641 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)c2cccn2C)cn1 864594347 UAWAGMMPVYHJQN-UHFFFAOYSA-N 304.354 -0.142 50 20 DBGD COCCOCC(=O)NNC(=O)[C@]1(O)CCc2ccccc2C1 869904683 FDLYHKCFXACWEZ-INIZCTEOSA-N 322.361 -0.283 50 20 DBGD O=C(Cc1cnn2ccccc12)NNC(=O)CN1CCCC1=O 913733356 GDIRDVMTAZAKBE-UHFFFAOYSA-N 315.333 -0.353 50 20 DBGD CCCN1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CC1=O 913733573 NKGKPZGPPAXTOB-SNVBAGLBSA-N 310.354 -0.985 50 20 DBGD O=C(CCN/C(O)=C1\N=CC=CC1=O)NNC(=O)C1CCC1 1116177046 RWYBJPPKNRTJPY-WYMLVPIESA-N 306.322 -0.150 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1c(F)cncc1F 1323101433 GHFWAIAFEBBUMT-YFKPBYRVSA-N 302.237 -0.076 50 20 DBGD O=C(CN1CCN(CC2CCOCC2)CC1)NNC(=O)C1CC1 1324187431 SITURJPGMFQYLJ-UHFFFAOYSA-N 324.425 -0.412 50 20 DBGD NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)cs1 1329214551 HEXAYWVCQITPDL-SSDOTTSWSA-N 304.158 -0.916 50 20 DBGD Cc1cc(C)n2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c2n1 1331689866 DPCLNEMMWDAKGE-SNVBAGLBSA-N 316.321 -0.614 50 20 DBGD Cn1cc(Br)c(C(=O)N2CC[C@@H](B(O)O)C2)n1 1331826777 MMWZQOCZABZJTA-ZCFIWIBFSA-N 301.937 -0.129 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cccc(F)n1)c1nnnn1C 1343079600 ITXPEZJMEFUYCS-LURJTMIESA-N 308.277 -0.551 50 20 DBGD CCn1nc(C(=O)NNC(=O)NCC(F)(F)F)ccc1=O 1344524800 RVROHLSHXSRNIM-UHFFFAOYSA-N 307.232 -0.231 50 20 DBGD CC(C)(N)CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1575357495 AJRHOTVEAGXMLK-UHFFFAOYSA-N 315.418 -0.003 50 20 DBGD Cn1nc(C(=O)NNC(=O)C2(N)CCC2)c2ccccc2c1=O 1579989858 RKQICPBQILCDPR-UHFFFAOYSA-N 315.333 -0.424 50 20 DBGD O=C(O)C1(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)CCCC1 1601709580 CRTJTTRGYDWVIM-SECBINFHSA-N 305.161 -0.490 50 20 DBGD O=C(O)CCNC(=O)CCNC(=O)NNc1cccc(F)n1 1602020658 LKWJNVGCTYOEMJ-UHFFFAOYSA-N 313.289 -0.172 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)N1 1602637741 FVPJILYWWQXZHY-KGDYZURWSA-N 324.337 -0.905 50 20 DBGD COc1ccc(COCCNC(=O)NNC(=O)C(=O)O)cc1 1607262041 GCUOYBQHGSHHBG-UHFFFAOYSA-N 311.294 -0.373 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)N1CCc2ccccc2C1 1609746545 PCQQKVNZQJEYIO-SNVBAGLBSA-N 320.349 -0.152 50 20 DBGD O=C(O)CC1(CC(=O)NNC(=O)[C@@H]2COCCO2)CCCC1 1610753771 WMDGQCBVVKAJME-JTQLQIEISA-N 314.338 -0.026 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H](C)NC(=O)c1ccoc1 68461212 PYQYRHHQQMPRDB-VIFPVBQESA-N 312.326 -0.235 50 20 DBGD CNS(=O)(=O)CC(=O)N/N=c1/sc2ccccc2n1C 176908227 JUXOATZSXHLJGN-SDNWHVSQSA-N 314.392 -0.279 50 20 DBGD CCCn1c(=O)[nH]c(=O)c2c(C(=O)NN)cc(C3CC3)nc21 193089563 FSJWBQGKWPPTCG-UHFFFAOYSA-N 303.322 -0.024 50 20 DBGD C[C@H](O)C[C@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 274355132 XWECTJKOHQTDNH-JSGCOSHPSA-N 321.377 -0.081 50 20 DBGD Cc1ccc2ncc(C(=O)NNC(=O)C(C)(C)O)c(=O)n2c1 277999195 QLIYXKZLNDJHSP-UHFFFAOYSA-N 304.306 -0.465 50 20 DBGD CS(=O)(=O)NCCNC(=O)/C(C#N)=C\c1ccc(O)cc1 490910093 PUUFFRUOIUOQQT-FLIBITNWSA-N 309.347 -0.035 50 20 DBGD CCCC(=O)N1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 584937575 WAEWRUQNOHKJEP-UHFFFAOYSA-N 318.182 -0.113 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](N2CCCC2=O)C1 584981043 RGLLCMSVUMAULQ-LLVKDONJSA-N 320.129 -0.658 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 584984583 BJOXBEPHIRPEGI-RBSFLKMASA-N 319.166 -0.632 50 20 DBGD O=C1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)CN1Cc1ccco1 585066468 OSQMOFOUEIXGSJ-QWRGUYRKSA-N 306.127 -0.297 50 20 DBGD Cc1cccc2c(=O)n(CC(=O)N3CC[C@@H](B(O)O)C3)cnc12 585068334 AWTOZPYLKKLEOF-LLVKDONJSA-N 315.138 -0.220 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)C2CCC2)s1 732142196 RFYXPJJOLQVHRM-UHFFFAOYSA-N 317.392 -0.115 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(C#N)c1 742066121 PPKIUKNALRCOHN-UHFFFAOYSA-N 324.362 -0.353 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCN1c1ncccn1 747382824 CPEANRDYMXKGCT-LLVKDONJSA-N 315.337 -0.062 50 20 DBGD Cn1c(N)c(C=NNC(=O)CC(F)(F)F)c(=O)n(C)c1=O 749815062 JGVUTXWKFJMPOY-UHFFFAOYSA-N 307.232 -0.931 50 20 DBGD CO[C@@H](C)C(C)=NNC(=O)CSc1nnc(O)nc1O 763155581 UWDCEVFUFBRPTG-LURJTMIESA-N 301.328 -0.098 50 20 DBGD CSCc1noc(CCC(=O)NNC(=O)C(C)(C)O)n1 768247980 RNJURFLNJDOTCI-UHFFFAOYSA-N 302.356 -0.217 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCN1C(=O)CCC1=O 771910097 GUBCRKHHNFQIQZ-MRVPVSSYSA-N 313.310 -0.985 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCCS(C)(=O)=O 790066025 WETDFIOBJDIJKD-UHFFFAOYSA-N 324.399 -0.252 50 20 DBGD C[C@H](CNC(=O)NNc1nc2ccccn2n1)S(C)(=O)=O 790433007 DGWVMWIOBMIDDD-MRVPVSSYSA-N 312.355 -0.212 50 20 DBGD COCC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCC1 800729872 IBOKLYCPRMGQHX-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)CC2 802026272 CPQQQZIJBXMHAG-SNVBAGLBSA-N 315.337 -0.181 50 20 DBGD O=C(NCc1ccc(Cl)cc1)NN=C1C(=O)NC(=O)NC1=O 814222089 XUDGFHQJPDZBKF-UHFFFAOYSA-N 323.696 -0.139 50 20 DBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)[C@@H]1COc2ccccc2O1 816813947 CPWJIJXOBVLGIX-CABZTGNLSA-N 319.317 -0.358 50 20 DBGD CCOC(=O)[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 822764907 REUFGGGPVZIHNM-LLVKDONJSA-N 314.386 -0.190 50 20 DBGD CCCNC(=O)NNC(=O)[C@H](C)n1cnc2c(N)ncnc21 823950714 KCHLPUHHHMHBDG-ZETCQYMHSA-N 306.330 -0.290 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)NC2CCCCC2)CC1 845078602 FQEYDSXDLCDYNX-UHFFFAOYSA-N 304.372 -0.529 50 20 DBGD CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 860912807 FKNBUXWIVOGJSS-SECBINFHSA-N 305.294 -0.285 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc3c2CNC3=O)N1 861112021 IBGMCZOOUWANMI-SNVBAGLBSA-N 317.305 -0.639 50 20 DBGD C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455072 CYCHPARKTJKTIV-IAQYHMDHSA-N 305.334 -0.594 50 20 DBGD C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cn[nH]c2)C1 863414413 VOJHOYOJSBKRPO-IUCAKERBSA-N 301.372 -0.133 50 20 DBGD O=C(CN1C[C@@H]2CCNC[C@@H]2C1)NNC(=O)c1ccccc1 923516380 BMRBCEPIBDFHCX-UONOGXRCSA-N 302.378 -0.011 50 20 DBGD O=C(c1ccc(CN2CCOCC2)o1)N1CC[C@@H](B(O)O)C1 1262159893 MSFPEXVSAWSGAO-LLVKDONJSA-N 308.143 -0.199 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC1CCOCC1 1318152949 BLNHHJHMYLJWIU-UHFFFAOYSA-N 310.310 -0.481 50 20 DBGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cnn(C)c1 1319095330 QWVYTJALJQQBCV-GXSJLCMTSA-N 311.342 -0.442 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1320520787 CLGNQLYKTPIMAM-UHFFFAOYSA-N 320.305 -0.289 50 20 DBGD Cc1nn(C)c2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc12 1331803316 NWTQIVHBBVHORB-SNVBAGLBSA-N 316.321 -0.684 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cn(C2CC2)nn1 1332493847 GPFNFCOTLKPUQP-UHFFFAOYSA-N 318.293 -0.603 50 20 DBGD Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 1338611918 PBLJBKYIYBPKIQ-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD Cc1conc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1342420280 BGKMEBMOVMKHII-ZETCQYMHSA-N 302.312 -0.430 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 1345733785 UNBLUYRTZCKBJC-ATZCPNFKSA-N 310.354 -0.495 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1cc(Cl)nc(N)n1 1528095715 ZKYMSUSIJYVMDQ-SFYZADRCSA-N 311.777 -0.456 50 20 DBGD NCCC(=O)NNC(=O)COc1ccc(Br)cn1 1580281476 AFKBCNZRCIJTOK-UHFFFAOYSA-N 317.143 -0.281 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 1590011276 LIIMUSIXYZWMRY-AWEZNQCLSA-N 316.321 -0.211 50 20 DBGD COC(=O)C[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591258096 ZBAWHJACYURLGM-SSDOTTSWSA-N 305.298 -0.096 50 20 DBGD CN(C)C(=O)c1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1606007466 HWSCJOUQTADXET-UHFFFAOYSA-N 308.294 -0.697 50 20 DBGD O=C(O)/C=C\c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)o1 1608658620 ZOLZMFHKXLFXPB-WUWIAWFRSA-N 310.262 -0.446 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 42182184 JLWOMFNEWKBTIY-ZETCQYMHSA-N 315.307 -0.211 50 20 DBGD CNC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 111267657 UBRCOILQJCGOKC-CYBMUJFWSA-N 318.377 -0.094 50 20 DBGD O=Cc1ccccc1OCC(=O)NNC(=O)C(=O)N1CCCC1 263872479 IQKZYMMDLCXOST-UHFFFAOYSA-N 319.317 -0.352 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1cncc(Cl)n1 275931033 HKXPASMZVJLXFE-UHFFFAOYSA-N 308.751 -0.695 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cncc(F)c1 281967568 NOOWFNMYFVUNOE-LURJTMIESA-N 319.318 -0.689 50 20 DBGD COC(=O)COCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 289152294 VMPVVVQZQJVWJR-UHFFFAOYSA-N 324.289 -0.592 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 298331491 GNOBUJIDORNDJR-SKDRFNHKSA-N 319.317 -0.548 50 20 DBGD CN(C)C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1 299397784 URHOECOEVYIQJW-UHFFFAOYSA-N 314.367 -0.343 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N(C)C)s1 299413683 DSLNEADHXHXITQ-UHFFFAOYSA-N 307.353 -0.001 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCOc1ccccc1 299443841 ZYWDWJPRFKVOLR-UHFFFAOYSA-N 300.336 -0.353 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H](OC(=O)N(C)C)C1 496616526 ITQBTZUAZXNRSZ-LLVKDONJSA-N 314.386 -0.048 50 20 DBGD NS(=O)(=O)CCCCCC(=O)Nc1cccc(B(O)O)c1 584914360 VRQPTQGYTASBGY-UHFFFAOYSA-N 314.172 -0.846 50 20 DBGD OB(O)c1ccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)c(F)c1 585035198 QRCQXZZYKPQDEQ-ZFWWWQNUSA-N 309.146 -0.067 50 20 DBGD COCCOCCOCCCNCc1cccc(B(O)O)c1 585036347 HXEPTIQUJTVNJW-UHFFFAOYSA-N 311.187 -0.474 50 20 DBGD OCCCN1CCC[C@H](NCc2ccc(B(O)O)cc2F)C1 585043608 PETUOLQNCZZZLY-AWEZNQCLSA-N 310.178 -0.558 50 20 DBGD O=C(NCB(O)O)[C@H]1CCCN1S(=O)(=O)c1cccs1 585059320 JFUHHHUQTBQYDW-MRVPVSSYSA-N 318.185 -0.971 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 728822700 PUPBISKUPOOHOI-UHFFFAOYSA-N 312.285 -0.153 50 20 DBGD CNC(=O)NNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F 752288889 XADCSERUTXSQGV-UHFFFAOYSA-N 324.721 -0.300 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccnc(-n2cccn2)c1 755268669 HGTYIHOUICMIDN-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD CCc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n[nH]1 763824858 NDRRGKQFEKANFL-UHFFFAOYSA-N 316.321 -0.442 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1 764302235 ABZXTHVMRQBOSR-UHFFFAOYSA-N 307.306 -0.070 50 20 DBGD O=C(NCc1ccc(F)cn1)NNC(=O)C(=O)N1CCCC1 764377726 MPFMLIYIZQAOCL-UHFFFAOYSA-N 309.301 -0.327 50 20 DBGD CN(NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(N)=O 770439883 YQOJLFZXUDFAMR-JTQLQIEISA-N 322.300 -0.713 50 20 DBGD NC(=O)c1cccc(CSCC(=O)NNC(=O)C2CC2)n1 779833126 XPQKMWSDFPKWRP-UHFFFAOYSA-N 308.363 -0.029 50 20 DBGD C[C@@H](CN1CCOCC1)N(C)CC(=O)NNC(=O)C(C)(C)C 789334310 HZMMXSYRMOPIKL-LBPRGKRZSA-N 314.430 -0.168 50 20 DBGD CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](O)C(N)=O)cc1 819525622 LOHRJZAAGWOBMD-YLBKJLTLSA-N 303.318 -0.045 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(C)(C)COC)CC1 823456068 OSAKVDOPSAOLAD-GFCCVEGCSA-N 314.430 -0.025 50 20 DBGD N#CC[C@]1(O)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 829983269 PAOKUZVXIDBCMU-HNNXBMFYSA-N 320.324 -0.063 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)[C@H]1CCNC1=O 831459114 FXXQFAPYVLUBPK-QMMMGPOBSA-N 309.347 -0.232 50 20 DBGD O=C(O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 833280619 NBACBVOSBZJBJY-UHFFFAOYSA-N 312.286 -0.954 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)[C@H]1CCCCO1 833778939 LKLRHFKYAUJNDN-SNVBAGLBSA-N 321.399 -0.578 50 20 DBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 836349013 JPBMEMVNNUYEPW-QWRGUYRKSA-N 312.370 -0.105 50 20 DBGD C[C@H]1CN(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1 838111412 DMTIEELFRNCMDQ-RYUDHWBXSA-N 314.386 -0.393 50 20 DBGD O=C(CC1CC1)NNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 846228620 PBTJHGJRENFXQZ-LBPRGKRZSA-N 323.324 -0.136 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)c2ccncc2)n1 847280707 FJWARXFQKDIEJV-UHFFFAOYSA-N 302.338 -0.086 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCCCO1)S(C)(=O)=O 852710777 BLWUKPLZTCSJMY-BDAKNGLRSA-N 307.372 -0.681 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2ncccn2)[C@H]2CCCC[C@H]2N1 854952405 KSVTWDISELGLBS-OUAUKWLOSA-N 317.349 -0.068 50 20 DBGD CCN1CCCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858211623 FCFFHJJVGPNGQT-MNOVXSKESA-N 311.386 -0.530 50 20 DBGD C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862453201 TVFMZBRMVYMNII-GXSJLCMTSA-N 324.381 -0.503 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 863413032 BAZRBTYDCOGLOO-SNVBAGLBSA-N 313.335 -0.717 50 20 DBGD COC(=O)c1cnn(CC(=O)NNc2ccnc(N(C)C)n2)c1 863881879 HFPFIXRUMLTNCB-UHFFFAOYSA-N 319.325 -0.331 50 20 DBGD CCOC(=O)C1(S(=O)(=O)N2CC[C@H](B(O)O)C2)CCC1 864233876 ZPABBCZRZFOKRM-VIFPVBQESA-N 305.161 -0.649 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NN(C)[C@H](C)CO)C1 911445154 NJRMPAHFKCETKW-NEPJUHHUSA-N 301.387 -0.395 50 20 DBGD CN(CC(=O)NNC(=O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 914869675 SKVBTOQQMCEWHP-LLVKDONJSA-N 317.411 -0.557 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(OCC(=O)OC)cc1 917721180 YLLSPHWEPXCRIM-UHFFFAOYSA-N 316.335 -0.042 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCc2nnnn2C2CC2)n1 1116877661 PCXWSJMRAXTRBE-UHFFFAOYSA-N 316.325 -0.144 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccc21 1261830394 VEDJQRKCENUNKD-QMMMGPOBSA-N 302.294 -0.992 50 20 DBGD CSCCCNC(=S)NNC(=O)CCN1CCOCC1 1317701367 LCFPYRUZORWHJW-UHFFFAOYSA-N 320.484 -0.043 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1cc2ccccc2[nH]1 1318835705 HUCZHFQORHYRNG-UHFFFAOYSA-N 317.349 -0.393 50 20 DBGD CC(=O)N[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C 1322739837 XBETVGKJYNRAEY-SECBINFHSA-N 321.341 -0.327 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccc(OC)cc1 1323599328 OOFUUUPOZOJHPS-UHFFFAOYSA-N 301.324 -0.995 50 20 DBGD CC(C)N1CC[C@@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1329174109 TYTDRRREFIATAG-QWRGUYRKSA-N 311.386 -0.674 50 20 DBGD CO[C@H]1COCC[C@@H]1CNC(=O)NNC(=O)C1CCOCC1 1331937482 GOZQAZBIMGIKJL-NEPJUHHUSA-N 315.370 -0.205 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 1337975146 VRWWMNRWPACXEE-UHFFFAOYSA-N 322.321 -0.784 50 20 DBGD CN(C)C(=O)NNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl 1591003340 GZLWYBIPPOHVCQ-UHFFFAOYSA-N 310.705 -0.169 50 20 DBGD OB(O)[C@@H]1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 1593498448 NVMQQEMUCPVIJJ-SNVBAGLBSA-N 313.130 -0.437 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1602675180 LMULMOXTAPBHDE-JTQLQIEISA-N 309.322 -0.740 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)cn1 1608098983 WMPCQRSFIIFDMT-MKHNBGRSSA-N 321.337 -0.137 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1c(F)cccc1F 1608754434 DYYSURUHALKHBX-UHFFFAOYSA-N 309.250 -0.458 50 20 DBGD COc1cc(C=NNC(=O)CS(C)(=O)=O)ccc1C(=O)O 1776097140 MZNRNJOWBQWQPA-UHFFFAOYSA-N 314.319 -0.112 50 20 DBGD CC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347745 CZHNPEOMQFRLIM-NXEZZACHSA-N 304.774 -0.440 50 20 DBGD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843363365 YIBLYJDGNSEPJH-QMMMGPOBSA-N 305.741 -0.793 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccoc2)[nH]n1 153282877 JELQXCFLYUZHBA-QMMMGPOBSA-N 305.294 -0.109 50 20 DBGD Cc1cc(C(=O)NNC(=O)C2CC2)nc2nc(O)nc(O)c12 265813255 MRPSYEFQSRRMCB-UHFFFAOYSA-N 303.278 -0.085 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 270426499 LQYYVHYJKCBGRS-HNNXBMFYSA-N 320.349 -0.490 50 20 DBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 274057667 KRZWHAXSJQAEMW-UHFFFAOYSA-N 322.321 -0.879 50 20 DBGD O=C(O)CC[C@H](NS(=O)(=O)CBr)C(=O)O 275116637 SQPSENUNPLDMOK-BYPYZUCNSA-N 304.118 -0.424 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 282035346 VPWPBSMTVMZPTC-MXBGMFSPSA-N 301.368 -0.043 50 20 DBGD Cc1coc(C)c1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 288846501 HZGCEJPUZJCQFF-ZETCQYMHSA-N 303.340 -0.405 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)n1 299535741 LTYIPXMNJIEPAT-ZETCQYMHSA-N 317.754 -0.069 50 20 DBGD C[C@H](CN1CCOC[C@H]1C)NC(=O)c1ccc(B(O)O)cc1 584942398 USTRIUWYVFOZSN-VXGBXAGGSA-N 306.171 -0.795 50 20 DBGD CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(B(O)O)cc1 584954976 JWWHCIQPCNDVED-UHFFFAOYSA-N 313.184 -0.691 50 20 DBGD COc1ccc(NC(=S)NNC(=O)CNC(=O)C2CC2)cn1 729692375 SDBIWGPDYDHGHM-UHFFFAOYSA-N 323.378 -0.066 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 755967501 OMDVUPFUEWKAIY-UHFFFAOYSA-N 323.277 -0.126 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)OC)cn1 771929051 IKRGGZMPOYNOCC-MRVPVSSYSA-N 323.305 -0.029 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2CCC(=O)N2C)cc1 788631591 LAHXRQINVKUEBY-GFCCVEGCSA-N 320.349 -0.125 50 20 DBGD COCCN(C)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 808073507 MWRQSQSAQIZEFW-UHFFFAOYSA-N 307.354 -0.759 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C(=O)O)C2)c1 819106407 OLPKSRZQCPXSQM-GFCCVEGCSA-N 316.317 -0.274 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccn1 832674278 CSGWMKSITDQJLS-WCBMZHEXSA-N 322.321 -0.399 50 20 DBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)N=c1cc[nH]cc1 848044430 IUVXORZJAPAZGG-UHFFFAOYSA-N 315.337 -0.173 50 20 DBGD CC(C)(C)n1nnc(C=NNC(=O)CNC(=O)c2ccco2)n1 853299362 PAHQUILUJAOKOD-UHFFFAOYSA-N 319.325 -0.099 50 20 DBGD Cc1nn(C)c(N)c1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853390019 INJFONZLJMXVGC-PWSUYJOCSA-N 306.370 -0.376 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2cccnc2)n1 854146597 WLDJIIRTHATMTN-UHFFFAOYSA-N 303.326 -0.173 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1ccnnc1)C(C)=O 854969192 YRMKUZFUSVJANR-JTQLQIEISA-N 308.294 -0.604 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NOCc2ccc(F)cc2)N1 858360731 WICNSQXWTSQKNB-SNVBAGLBSA-N 310.285 -0.134 50 20 DBGD O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)[C@H]1CCC(=O)N1 862457050 ZROPHZXCAYMIKC-SNVBAGLBSA-N 315.285 -0.807 50 20 DBGD C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1cc(B(O)O)ccc1F 912004099 RLANQCMGIIBATF-BBBLOLIVSA-N 322.145 -0.415 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 1116618914 KJPXQYKGJMSEHQ-UHFFFAOYSA-N 317.309 -0.596 50 20 DBGD Cc1nn(C)c(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1118141282 XCUURWIKLGFVTO-UWVGGRQHSA-N 323.353 -0.452 50 20 DBGD O=C(NNC(=O)C12CCCN1CCC2)C(=O)Nc1ccccn1 1118835361 NAXJLAHGMBMQGP-UHFFFAOYSA-N 317.349 -0.204 50 20 DBGD CC(=O)NCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 1319293007 TZMOAMNYOQRQJM-UHFFFAOYSA-N 321.341 -0.134 50 20 DBGD C[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)n1ccnc1 1319880409 UOLPSMFETTZKOZ-ZETCQYMHSA-N 302.298 -0.030 50 20 DBGD Cc1ccn(C)c1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320572139 NPPIXCPPFNWGQI-VIFPVBQESA-N 314.367 -0.535 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1cccnn1 1320946914 SHPNIKQHDHRSNU-JTQLQIEISA-N 306.326 -0.953 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 1324362632 QRRJFWKGLYLWMF-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD NC(=O)Cc1occc1C(=O)NNC(=O)NCC(F)(F)F 1327936726 PODIKOSIJDNSCV-UHFFFAOYSA-N 308.216 -0.186 50 20 DBGD Cn1cc(Cl)c(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1328798649 GBFABLIGDUEYFZ-ZETCQYMHSA-N 314.733 -0.818 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(Cn3cccn3)o2)N1 1330227208 PHAWFEXLXQESJP-JTQLQIEISA-N 317.305 -0.436 50 20 DBGD COC[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)OC 1330688878 HBRUPKXJWJFURK-MRVPVSSYSA-N 300.290 -0.174 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2cnn(C[C@H](O)CO)c2)n1 1333781929 CRHCPFVZTFGPEE-NSHDSACASA-N 306.326 -0.600 50 20 DBGD O=C(CN1CCCNC1=O)NNC(=S)Nc1ccccn1 1352271654 DVKZHQXQFGYEGQ-UHFFFAOYSA-N 308.367 -0.186 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)C[C@@H](O)CN2)cc1 1574156728 PPPXCTABRIUNSD-ABAIWWIYSA-N 307.350 -0.366 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ncccc1C(=O)O 1589076438 ORUXKIGJNHJJMI-SSDOTTSWSA-N 301.324 -0.096 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)n1)c1cccnc1 1593159109 XSBCQFARHKXDRP-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594144499 SPOXHXIMFAGSMJ-LLVKDONJSA-N 321.289 -0.385 50 20 DBGD Cc1c(C(=O)NNC(=O)N2CCC[C@H](CC(=O)O)C2)nnn1C 1605077075 OHDYFUVSMKMIDT-SECBINFHSA-N 324.341 -0.335 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)nc1 1606851562 DASWDPMLLOBGHI-SECBINFHSA-N 303.282 -0.798 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccncc2)O[C@H]1C(=O)O 1607442538 IXGWWAVTPOXUDT-HLUHBDAQSA-N 307.306 -0.350 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2CC(=O)O)nn1 1608098271 ASCDRSKWDDJJAD-JGVFFNPUSA-N 310.314 -0.598 50 20 DBGD NC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2 1796778889 JRAVLGTYOZVHGG-SVSWQMSJSA-N 306.769 -0.555 50 20 DBGD Cc1nn(C)c(Cl)c1S(=O)(=O)NNC(=O)[C@@H]1CCCO1 48654007 KJPBZSWSMWHZRO-ZETCQYMHSA-N 322.774 -0.130 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)[nH]1 121522291 LTVZZCFBEXWUQS-UHFFFAOYSA-N 301.262 -0.330 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(O)c([N+](=O)[O-])c1 273471604 XTCGHVDJRFYDSF-JTQLQIEISA-N 311.250 -0.523 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3nccn3c2)CC1 283026145 XZFHFUDSBDKASU-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C 291420405 HUXMGRYZGJIWJF-LBPRGKRZSA-N 307.350 -0.111 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)COc1ccc(C)cc1 299088065 ZBFCJLVPZWPUJK-UHFFFAOYSA-N 314.363 -0.044 50 20 DBGD COC(=O)NNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F 490596935 ZFVJVVGQRZAUPH-VIFPVBQESA-N 310.232 -0.053 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1CCCC1=O 494741506 FSCMMWRLYJZYAA-UHFFFAOYSA-N 314.342 -0.719 50 20 DBGD CC(=O)NC[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584940215 RRAHZNKCMIOUKN-GFCCVEGCSA-N 304.155 -0.645 50 20 DBGD CS[C@@H](CO)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584963035 OOFLKCRSLJMYKW-HQJQHLMTSA-N 301.148 -0.652 50 20 DBGD CCO[C@@H]1C[C@](CO)(NC(=O)c2ccc(B(O)O)cc2)C1(C)C 584979289 PMMDLXPUFGXZLY-CZUORRHYSA-N 321.182 -0.338 50 20 DBGD CN(C)CCN(C)CCCN(C)C(=O)c1ccc(B(O)O)cc1 584993250 ONKZHSIBEKXLMD-UHFFFAOYSA-N 321.230 -0.678 50 20 DBGD CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(B(O)O)cc1F 585042457 QVFHBSJVJPTHBW-TZMCWYRMSA-N 313.178 -0.247 50 20 DBGD O=C1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CN1Cc1ccccn1 585069491 NIKBYWIWXGYRHM-NEPJUHHUSA-N 317.154 -0.495 50 20 DBGD O=C(NNC(=S)NCCc1cccnc1)C(=O)N1CCCC1 727702102 PEXHUHHLALTUJX-UHFFFAOYSA-N 321.406 -0.258 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 736878678 IBJWSEOKKAKQFE-UHFFFAOYSA-N 315.290 -0.872 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1 751210342 CUHQXKMAFWRHQO-ZETCQYMHSA-N 312.351 -0.850 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)no1 763996290 PDMDWDCHGVIDKY-QMMMGPOBSA-N 315.351 -0.006 50 20 DBGD C[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1nnnn1C1CC1 792475957 SHXWUEXZMAAJDK-MRVPVSSYSA-N 309.374 -0.148 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cn(C)nn2)c1 808663392 GIVVONARBCJDIC-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD O=C(Cn1cnnn1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 826425736 QVENSPCNHFLMMC-UHFFFAOYSA-N 321.692 -0.955 50 20 DBGD NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)O 833761780 XOLCQTDYYKZIMG-UHFFFAOYSA-N 323.714 -0.335 50 20 DBGD NC[C@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 843348396 MHDAYQLYZDDQHY-SNVBAGLBSA-N 321.337 -0.364 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NN=c1cc[nH]cc1Cl 845947865 PEQZBLCDVJUFJW-UHFFFAOYSA-N 321.790 -0.662 50 20 DBGD COc1cc(F)ccc1NNC(=O)[C@H]1CCS(=O)(=O)N1 846640478 RJOLPRZUHGQVFU-SECBINFHSA-N 303.315 -0.031 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)C1(n2cnnn2)CC1 854194223 VUEQRYTXFDMZPZ-UHFFFAOYSA-N 320.284 -0.472 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)[nH]1 854382287 AFMIJUQYGKDQNK-UHFFFAOYSA-N 309.326 -0.597 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCCC1 858278003 UUNVKQKMNXFQNX-WDEREUQCSA-N 311.386 -0.530 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC[C@@H]2CCCCO2)N1 858362166 QAQZTYMXUWTHDO-QWRGUYRKSA-N 312.370 -0.055 50 20 DBGD Cc1cc(C)c(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 858524565 FWENKIHIFXBFPA-LLVKDONJSA-N 305.338 -0.193 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCC1=O 862453018 HVTLWVMTIWQLHA-BXKDBHETSA-N 310.354 -0.941 50 20 DBGD CN(C)C(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 863379226 QZYSAXQWBSVTAK-WCQYABFASA-N 304.350 -0.285 50 20 DBGD CC(C)Oc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 915276910 AJURHKVCMWVNTL-UHFFFAOYSA-N 306.322 -0.092 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NC2CC2)co1 1319491992 ZGGVWTBRLFIXMF-UHFFFAOYSA-N 302.312 -0.706 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1321084041 LJHYTAWKZNKXCG-UHFFFAOYSA-N 320.349 -0.154 50 20 DBGD Cn1nnc2c1CC[C@H](NC(=O)NNC(=O)[C@H]1CCCCO1)C2 1326877160 TXDNGUJPQDTWGG-JOYOIKCWSA-N 322.369 -0.428 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCOC[C@H]1CCCO1 1330489926 SFCHVNNUBNATMB-SECBINFHSA-N 303.315 -0.925 50 20 DBGD O=C1COc2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc2N1 1337960588 HECOBDBFDCFCCM-UHFFFAOYSA-N 318.289 -0.487 50 20 DBGD O=C(Cc1ccc(C(=O)O)nc1)NNC(=O)c1ncccn1 1601358547 OKLPOWWTNBHREH-UHFFFAOYSA-N 301.262 -0.427 50 20 DBGD O=C(NC[C@@H]1COCO1)NNc1ccc(-c2nn[nH]n2)cn1 1606755907 VROWPNWGVWCMFE-MRVPVSSYSA-N 306.286 -0.739 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H](O)c1cccnc1 1606857458 JHHJUOPYNUFQSQ-LLVKDONJSA-N 312.293 -0.167 50 20 DBGD O=C(COCc1ocnc1C(=O)O)NNC(=O)NCC1CC1 1608350022 SBXNBPQADOPLBC-UHFFFAOYSA-N 312.282 -0.370 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cn1 1610840285 WDCIDDLGYYSPIG-UHFFFAOYSA-N 322.302 -0.202 50 20 DBGD CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)COC1 1841348287 JXKVPSWBFMJPHJ-JTQLQIEISA-N 316.785 -0.174 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 42623102 XRCLHSZXIHNVQK-UHFFFAOYSA-N 313.291 -0.538 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)COc1ccc(F)cc1 43141111 ZDBVGOBCPPYAOM-UHFFFAOYSA-N 312.301 -0.329 50 20 DBGD O=C(Cn1cnc2sccc2c1=O)NNC(=O)NC1CC1 64427759 DNSIOCGRPHEPHJ-UHFFFAOYSA-N 307.335 -0.049 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O 265087623 SGAWNXZGSBJMJA-GFCCVEGCSA-N 322.340 -0.112 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)c1ccccc1 269151863 QUUBUDDNAQVRGE-UHFFFAOYSA-N 302.352 -0.086 50 20 DBGD CCOC(=O)NCCCC(=O)NNC(=O)C(=O)N1CCCC1 269735549 HZQIDXWQLALNCE-UHFFFAOYSA-N 314.342 -0.718 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n[nH]1 362236889 GUOVBARBEPIZCF-MRVPVSSYSA-N 317.309 -0.745 50 20 DBGD CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584928333 PNRHANBVYALJIA-UHFFFAOYSA-N 318.182 -0.303 50 20 DBGD C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(B(O)O)c(F)c1 584957729 LOAKOQRRIYVCHM-ONGXEEELSA-N 311.118 -0.571 50 20 DBGD CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584969187 RKYKQODTBXIOLQ-GFCCVEGCSA-N 308.118 -0.754 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN(c2ncc[nH]2)CC1 584982628 LTXNTOLTTVNSMW-UHFFFAOYSA-N 318.117 -0.809 50 20 DBGD C[C@H](CNCc1cccc(B(O)O)c1)CN1CCN(C)CC1 585022138 JRXJVDNAIAAYKF-CQSZACIVSA-N 305.231 -0.661 50 20 DBGD Cc1ncsc1CCS(=O)(=O)N1CC[C@@H](B(O)O)C1 585056317 MVRSLHUJFFGAAO-SECBINFHSA-N 304.202 -0.127 50 20 DBGD CCn1cc(-c2n[nH]cc2C(=O)N2CC[C@@H](B(O)O)C2)cn1 585063813 HSIVZOVGQARZHE-SNVBAGLBSA-N 303.131 -0.018 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 585070593 APILLQOPJZRVBM-SNVBAGLBSA-N 312.156 -0.716 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H](C(=O)O)C2)cc1 738260139 BSAVOCDVSYXXRF-GFCCVEGCSA-N 321.333 -0.459 50 20 DBGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)C(=O)N1CCCC1 748240829 KUILRRGFOQANHN-UHFFFAOYSA-N 305.338 -0.328 50 20 DBGD O=C(CN1CCN2C(=O)NC[C@H]2C1)NNC(=O)c1cccs1 752332084 LFTSZMZKDZHFLE-VIFPVBQESA-N 323.378 -0.782 50 20 DBGD C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccc(C#N)c1 756513494 GNJCMRYFYVXUGL-JTQLQIEISA-N 315.333 -0.860 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 756893703 SFILGDTYHOEDID-UHFFFAOYSA-N 313.741 -0.126 50 20 DBGD CO[C@@]1(CNC(=O)NNC(=O)Cc2cccnc2)CCOC1 763663409 TZSOFOBRRAMZGG-CQSZACIVSA-N 308.338 -0.240 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccnc1O 764344262 WJGJFWOPDBWWDB-UHFFFAOYSA-N 315.289 -0.627 50 20 DBGD O=C(NNC(=O)[C@H]1CCCc2cccnc21)C(=O)NC1CC1 767463914 WKSQUBBOWRFRIH-NSHDSACASA-N 302.334 -0.073 50 20 DBGD COCCO[C@H](C)C(=O)NN[C@@H](C(=O)OC)c1cccnc1 771904193 SGESPSKRASCWPO-ZYHUDNBSSA-N 311.338 -0.032 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)c2ccc3nnnn3c2)n1 773866766 YXCJIKSGNQNGBH-UHFFFAOYSA-N 305.689 -0.093 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 779726217 YJRWIKWUECODFO-QWRGUYRKSA-N 306.322 -0.239 50 20 DBGD O=C(CCn1cnccc1=O)NNC(=S)NCC1CCC1 794274701 HSWJEKBUOGYYIT-UHFFFAOYSA-N 309.395 -0.071 50 20 DBGD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NNC(=O)Cc1cccnc1 799369979 SYQAGNHPENZBQW-SKDRFNHKSA-N 305.338 -0.521 50 20 DBGD CN1CCN(C(=O)NNC(=O)CNc2ccc(C#N)cc2)CC1 807379167 SJQBYHMIVFEDFP-UHFFFAOYSA-N 316.365 -0.042 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CNS(=O)(=O)c1cccc(F)c1 823987038 DFHMWBULRZAXMX-VIFPVBQESA-N 319.358 -0.552 50 20 DBGD CCNC(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 825476390 ILKFULQBHVSIKF-VIFPVBQESA-N 305.298 -0.750 50 20 DBGD O=C(Cn1cccnc1=O)NNc1cccc(-c2nn[nH]n2)c1 826424692 YPTDVRKYCWLKLC-UHFFFAOYSA-N 312.293 -0.433 50 20 DBGD O=C(NCC[C@@]1(O)CCCOC1)NNC(=O)[C@@H]1CCCCO1 845720695 HCXKHMMOKFBRJZ-FZMZJTMJSA-N 315.370 -0.183 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CCCS(=O)(=O)C1 846230377 HJDQPWLBIOVLMX-NXEZZACHSA-N 304.368 -0.472 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1nnc2c1CCCC2 848236975 OWKVEYGOYJNCRI-ZJUUUORDSA-N 307.354 -0.271 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)C1CCCC1 852279296 QMZLTLRCUDGXQM-VHSXEESVSA-N 319.383 -0.681 50 20 DBGD C=CCNC(=S)NNC(=O)C[C@@H](C(C)=O)C(=O)OCC 854185789 KFJQBSARLAOIBK-VIFPVBQESA-N 301.368 -0.174 50 20 DBGD C=CCn1cc(C(=O)NN(C)C(=S)NCCCOC)nn1 854286649 VXUHNRUZDZMTOT-UHFFFAOYSA-N 312.399 -0.048 50 20 DBGD CCC[C@H](OCC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 858750233 PTFRTOHZUZPZKD-UWVGGRQHSA-N 321.399 -0.291 50 20 DBGD COC(=O)CN(C(=O)c1ccc(B(O)O)cc1)C1CCOCC1 863874057 OMESUCVTJCSKMV-UHFFFAOYSA-N 321.138 -0.839 50 20 DBGD COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1ccc(B(O)O)cc1 863875587 BOTXCGLFJMFZEP-CYBMUJFWSA-N 323.154 -0.595 50 20 DBGD CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(CCl)cc1 914430824 NAGAIVZZRVCHOK-SNVBAGLBSA-N 306.771 -0.189 50 20 DBGD NNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 918550824 MHPJDABWTIIVEU-UHFFFAOYSA-N 305.381 -0.564 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)CN1CCN(C)CC1 1318969792 JWEGKLXNTOJBGV-LBPRGKRZSA-N 322.413 -0.158 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 1324683720 AYAWZMNWELEXIF-UHFFFAOYSA-N 315.351 -0.993 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCCS(=O)(=O)C1 1329251342 AADYFUOOSYEJAQ-GUBZILKMSA-N 319.383 -0.681 50 20 DBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNc1nnc(C)n1C 1591875555 FOROMTGRKPRVDE-UHFFFAOYSA-N 314.313 -0.236 50 20 DBGD O=C(CC1(O)CCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1592806593 DTXODQIUAWXZJJ-UHFFFAOYSA-N 316.321 -0.067 50 20 DBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)CNC(=O)c1cccnc1 1604107114 VBJOJKJPNRJXES-VIFPVBQESA-N 322.321 -0.540 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)/C=C/c1ccc(C(=O)O)o1 1604914700 UVGDYOHIAWLFIK-HWKANZROSA-N 316.291 -0.817 50 20 DBGD CO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846401270 SDVVREHUJVQFLA-NXEZZACHSA-N 304.774 -0.176 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)COCc1ccccc1 265665426 DQHVBJMZRQFPQY-UHFFFAOYSA-N 308.338 -0.378 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)O1 279583793 GYMXEFKETVLNDM-VHSXEESVSA-N 322.277 -0.611 50 20 DBGD COc1cccc(C(=O)NNS(=O)(=O)C[C@H](C)OC)c1O 282316332 YYUZFKHHAQUULD-QMMMGPOBSA-N 318.351 0.000 50 20 DBGD COC(=O)N[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 495904615 JXWMQNRVNHJQOR-IUCAKERBSA-N 307.372 -0.777 50 20 DBGD C[C@@]1(CCCC(=O)Nc2cccc(B(O)O)c2)NC(=O)NC1=O 584913494 YBCUEIGLGZSCRA-AWEZNQCLSA-N 319.126 -0.927 50 20 DBGD CN(C)CCOC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584945697 SAYLZEPULYHUGZ-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1n[nH]c(C)n1 584952974 RMBPJLVCNVHNIF-NSHDSACASA-N 306.106 -0.187 50 20 DBGD O=C(NC[C@H]1CCCCS1(=O)=O)c1ccc(B(O)O)cc1 584974635 WSOBWDUBCLTOEG-GFCCVEGCSA-N 311.168 -0.937 50 20 DBGD CN(Cc1ccncc1)C(=O)CNCc1cccc(B(O)O)c1 585022324 WYRVBDHWILTVJY-UHFFFAOYSA-N 313.166 -0.490 50 20 DBGD C[C@@H](NS(C)(=O)=O)c1nc(-c2cccc(B(O)O)c2)no1 585054487 WPMWLQIJZNXNEX-SSDOTTSWSA-N 311.128 -0.973 50 20 DBGD CC(C)[C@H](C(=O)NCB(O)O)n1nnc(-c2ccccc2)n1 585055841 JZSNBLXZYFZIEK-LLVKDONJSA-N 303.131 -0.335 50 20 DBGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCB(O)O 585056374 UANVSAZBMACZTO-LLVKDONJSA-N 307.094 -0.967 50 20 DBGD O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585057414 DGIBVYRYMKCULJ-JTQLQIEISA-N 314.128 -0.027 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1OC 728870955 LFVMYJMOEGBJSD-VIFPVBQESA-N 307.306 -0.257 50 20 DBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)Cc1cccnc1 729613453 CLTZHJCHAWDPOP-LBPRGKRZSA-N 321.381 -0.325 50 20 DBGD COCCOc1ncccc1C(=O)NNC(=O)Cc1cc[nH]n1 730091453 APMNEGOUPUSZBG-UHFFFAOYSA-N 319.321 -0.166 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)C(=O)N2CCCC2)c1[N+](=O)[O-] 731809064 OTTSCJVYGOGYMN-UHFFFAOYSA-N 324.297 -0.736 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ncccn2)C[C@@H](C)O1 743290717 JSSGFYASDXZXQV-GHMZBOCLSA-N 307.354 -0.263 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNc1nccn(C)c1=O 747946168 VQFSORUFDXPEST-VIFPVBQESA-N 307.354 -0.082 50 20 DBGD O=C(CO)NNC(=O)Nc1nc(CN2CCOCC2)cs1 755454562 OPSJNVQNPXMDJP-UHFFFAOYSA-N 315.355 -0.880 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=S)NC[C@@H]1CCCCO1 758184657 NAPUXAQZVCNRMZ-VIFPVBQESA-N 302.400 -0.425 50 20 DBGD C[C@H](CO)CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 759631256 ILQBUTHMKTWJBX-JQWIXIFHSA-N 307.416 -0.224 50 20 DBGD C#C[C@@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 773599059 XFPLWCOFXHLGGT-SECBINFHSA-N 323.378 -0.055 50 20 DBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(C)=O)c1 775248945 AMIBYHVXNNDTEV-UHFFFAOYSA-N 302.308 -0.189 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)NNc1cnccn1 775281336 RUPGRQSVUBZCNP-UHFFFAOYSA-N 313.364 -0.040 50 20 DBGD CCCNC(=O)NNC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 791129067 VZYVCTDJQGKTOO-AWEZNQCLSA-N 310.354 -0.352 50 20 DBGD C=CCNC(=S)NNC(=O)CCSc1nnnn1C 798304364 LPDRUDOIKBWOFG-UHFFFAOYSA-N 301.401 -0.626 50 20 DBGD CO[C@@H](C(=O)NNC(=O)Cc1ccncc1)c1cnn(C)c1 798459664 IPACLBALOUKORE-CYBMUJFWSA-N 303.322 -0.107 50 20 DBGD CC1CCN(S(=O)(=O)NNC(=O)c2cnn(C)c2)CC1 808093381 NJYXWNNICZWUCH-UHFFFAOYSA-N 301.372 -0.369 50 20 DBGD Cn1nncc1NNC(=O)CNC(=O)c1ccc(F)cc1F 816769604 OZPKMSIPXLSQCQ-UHFFFAOYSA-N 310.264 -0.034 50 20 DBGD O=C(CNC(=O)Nc1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 862450637 YBAQAOPPHHBZJE-JTQLQIEISA-N 319.321 -0.766 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCc2nn(C)cc21 869906388 UQJSBOGNCQBSNQ-SNVBAGLBSA-N 310.354 -0.350 50 20 DBGD C#CCCCC(=O)NNC(=O)c1cnc2n(c1=O)CCS2 887140447 FFRRPEFGKAAKJE-UHFFFAOYSA-N 306.347 -0.087 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 894134381 KEJNKSCTRBEIMO-BONVTDFDSA-N 302.334 -0.395 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NN(C)C[C@@H](C)O)cc1 910178985 TUIZWJDEJPJJKF-SNVBAGLBSA-N 315.395 -0.058 50 20 DBGD CN(CC(=O)NNC(=O)c1c[nH]c2ccccc12)S(C)(=O)=O 914749839 DKKOAZJWAFEODD-UHFFFAOYSA-N 324.362 -0.180 50 20 DBGD CC(=NNC(=O)C(N)=O)c1ccc(S(=O)(=O)N(C)C)cc1 916272323 MJMSTDRVDYMEGS-UHFFFAOYSA-N 312.351 -0.738 50 20 DBGD Cn1nccc1[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 933543497 GZSBARDQYBNQOB-GFCCVEGCSA-N 323.397 -0.013 50 20 DBGD COC(=O)C(=O)NN[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 1116371757 WFQLVBBOCNUKAF-SNVBAGLBSA-N 324.289 -0.519 50 20 DBGD O=C(CCOCC(F)F)NNC(=O)C(=O)Nc1ccccn1 1116746833 UCYHTEZOBPWNJM-UHFFFAOYSA-N 316.264 -0.161 50 20 DBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CCO)c(OC)c1 1118857764 QASFWLVBJQZJGD-UHFFFAOYSA-N 310.310 -0.410 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1nnnn1C 1121821761 HCUAOMVSSGSETA-MRVPVSSYSA-N 304.314 -0.761 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)NC)cc1 1254935395 HRJMKLFJNVZMGH-UHFFFAOYSA-N 322.321 -0.309 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CC2 1261499308 HJYXEPMRKPSCJJ-FBIMIBRVSA-N 307.354 -0.279 50 20 DBGD O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)NC1CC1 1317716881 CKMKNHNIIHMYKR-DCYIXLHKSA-N 321.377 -0.256 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 1319298723 GSMAOGGRRHFEKQ-GARJFASQSA-N 314.386 -0.144 50 20 DBGD CN(C)C(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 1322334662 WHFBCUYZAPHVHH-UHFFFAOYSA-N 300.340 -0.609 50 20 DBGD O=C(NN=Cc1ccc(CO)o1)N[C@@H]1CCS(=O)(=O)C1 1323084974 GMLLDTMSUXYUOY-MRVPVSSYSA-N 301.324 -0.408 50 20 DBGD CCC1(O)CCC(NC(=O)NNC(=O)C(=O)NC2CC2)CC1 1324831236 DUEIWCZQFJTUSU-UHFFFAOYSA-N 312.370 -0.321 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)N1CC[C@@H](B(O)O)C1 1331826330 KGBDQSFMJJZXOW-SNVBAGLBSA-N 312.156 -0.960 50 20 DBGD Cn1ncc(Br)c1C=NNC(=O)[C@@H]1CCC(=O)N1 1335346975 HYZZTPAOEWHZTH-ZETCQYMHSA-N 314.143 -0.089 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(Cl)c1F 1337981946 VHKJYAPBLQMYER-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD CCCNC(=O)NNC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1573857344 POLFAUULBUDKFZ-MRVPVSSYSA-N 300.315 -0.950 50 20 DBGD COC(=O)[C@@H](N)CCC(=O)NNC(=S)NCC1CCC1 1573927878 KKGKSROATOOPDX-VIFPVBQESA-N 302.400 -0.438 50 20 DBGD NCC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC(O)C1 1580235888 GNWPBXIMMBYNIJ-RHJSQNMRSA-N 321.333 -0.926 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)C1=NO[C@]2(CCNC2)C1 1580573360 INMYZCVJYAEHFF-CQSZACIVSA-N 303.322 -0.720 50 20 DBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 1594228227 RLVMIYQOMWWKDQ-UHLUBPPHSA-N 309.278 -0.732 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1606291252 CTIMFPZSOGIYQU-SNVBAGLBSA-N 321.289 -0.810 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1609701321 ZEAXEZPRGWMYNX-SSDOTTSWSA-N 318.289 -0.585 50 20 DBGD CN(CC(=O)NNC(=O)Cc1ccc(F)cc1)S(C)(=O)=O 46318012 VONMHZWCJSLULT-UHFFFAOYSA-N 317.342 -0.593 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)COc1cccc(C)c1 54039469 RUBMWKHKUUQFGV-UHFFFAOYSA-N 308.338 -0.160 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 68301650 VZLFIDLVJRSFSX-UHFFFAOYSA-N 321.337 -0.397 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN(C)C2CC2)n1 264839972 JTKVUYQUBLXVFE-UHFFFAOYSA-N 308.386 -0.075 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1F 274071347 OGIHDKWJRKPIOH-UHFFFAOYSA-N 312.301 -0.518 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)COc1ccc(C#N)cc1 292292053 JOPPKDPEHOZJNV-UHFFFAOYSA-N 319.321 -0.596 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 299268015 ZCAIJNNQHMEZJK-UHFFFAOYSA-N 306.278 -0.022 50 20 DBGD COC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 495407538 LEATXJKDJDMYHK-UHFFFAOYSA-N 305.312 -0.161 50 20 DBGD CCOC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 495799198 PAGKXDNJJAYQBL-UHFFFAOYSA-N 301.324 -0.258 50 20 DBGD CCN1CCN(C(=O)c2cc(B(O)O)ccc2F)C(C)(C)C1=O 584975619 WODIQQXPWNHUKB-UHFFFAOYSA-N 322.145 -0.412 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 584986422 ZCHZKTXZVJJCCJ-RRFJBIMHSA-N 319.166 -0.632 50 20 DBGD Cn1nccc1[C@H]1C[C@H](NCc2ccc(B(O)O)o2)CCO1 585044190 AMMJCYGHSIRWON-ZWNOBZJWSA-N 305.143 -0.297 50 20 DBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NCB(O)O)cc1C 585061482 YSELRYQHVFBSPX-UHFFFAOYSA-N 314.172 -0.948 50 20 DBGD COCCOCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 741163744 WYJUQVZPUIOZKG-JTQLQIEISA-N 307.372 -0.488 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(NC(N)=O)CC1 746484299 OVKVBFLSZWVHOG-SNVBAGLBSA-N 313.402 -0.299 50 20 DBGD C[C@H](OCC1CC1)C(=O)NNC(=O)CNC(=O)c1ccco1 751202454 DMOATNJBEOAHBO-VIFPVBQESA-N 309.322 -0.028 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1Cl)[C@H]1CCNC1=O 759439195 XBYRGRLDGBGIIZ-NSHDSACASA-N 324.768 -0.079 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)C(C)(C)C(N)=O)C[C@H](C)O1 769848266 WUPSCKPKEWDFEK-UWVGGRQHSA-N 314.386 -0.855 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(C(=O)CC)C1 772215489 SSXPLZXISPTGSF-NXEZZACHSA-N 313.354 -0.266 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccn(C)c1=O 779354849 SCMKQOVLNVTOGO-VIFPVBQESA-N 312.326 -0.411 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1n[nH]c(C)c1O 807371814 QRCHHWGFAUYZGB-UHFFFAOYSA-N 300.315 -0.026 50 20 DBGD Cc1nc2ccccn2c1C(=O)NN=C1C(=O)NC(=O)NC1=O 814213350 JCENMXWWVDOGAR-UHFFFAOYSA-N 314.261 -0.905 50 20 DBGD CN(CC#N)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 821592751 TWXSVFPRULCICZ-UHFFFAOYSA-N 314.309 -0.917 50 20 DBGD CCN(CCO)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 823829452 SXMVQJAQBRQDNO-UHFFFAOYSA-N 315.395 -0.104 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(O)n1 832675078 KSOIGNZKMYPCAV-RKDXNWHRSA-N 322.321 -0.393 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCCCO1 833778420 DBPXSPISHMAKSE-VHSXEESVSA-N 300.359 -0.070 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(n2cnnn2)CCCCC1 844620155 RIBKCCNLTKDSFM-WDEREUQCSA-N 322.369 -0.095 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CCC1)N[C@H]1CCS(=O)(=O)C1 845273751 AFWNGJDURGZZER-GARJFASQSA-N 315.395 -0.060 50 20 DBGD CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858329873 GRTJWXRWVTYXMT-BDAKNGLRSA-N 314.342 -0.815 50 20 DBGD Cc1cnc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c1 858591273 PCBOLHLKXBEHCC-GFCCVEGCSA-N 319.365 -0.150 50 20 DBGD COCCCn1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860658417 LOIQLEIXWUOVON-SECBINFHSA-N 324.341 -0.649 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1cccc(C=O)c1 863463023 BVMDTHMTOZYTKO-UHFFFAOYSA-N 314.319 -0.930 50 20 DBGD COCc1cccc(CC(=O)NNC(=O)CS(C)(=O)=O)c1 863464691 MBYLJAUBLOFXBT-UHFFFAOYSA-N 314.363 -0.433 50 20 DBGD CC(C)(CCl)CS(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 867013997 ZTUGCFWGTBZPDH-QMMMGPOBSA-N 318.848 -0.056 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)N(C)C)CC1 1115911474 HKXICWDMBFXBPR-UHFFFAOYSA-N 306.388 -0.650 50 20 DBGD CC(C)(C)c1ccc(NNC(=O)CN2C(=O)CNC2=O)nn1 1251943919 UNMPPUOOXCYKMR-UHFFFAOYSA-N 306.326 -0.231 50 20 DBGD CN(CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(=O)C1CC1 1318451379 LJVQDOUIARNJJT-UHFFFAOYSA-N 319.365 -0.082 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 1319260916 NAYWKXGFZZYETR-SNVBAGLBSA-N 315.443 -0.700 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)Cc3cc[nH]n3)cnc21 1320133602 RCDFJXYGEFWKEL-UHFFFAOYSA-N 300.282 -0.910 50 20 DBGD CSCc1noc(CCC(=O)NNC(=O)Cc2cc[nH]n2)n1 1320420289 MZRLIVNEYNIRAL-UHFFFAOYSA-N 324.366 -0.022 50 20 DBGD Cc1ncccc1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1323462249 IKVDRRSROWBQDP-NSHDSACASA-N 311.363 -0.485 50 20 DBGD CC(C)(C)n1cc(C=NNC(=O)Cc2cc(O)nc(O)n2)nn1 1326247969 GVYBHMDCWXAPHJ-UHFFFAOYSA-N 319.325 -0.073 50 20 DBGD CS(=O)(=O)c1ccccc1CC(=O)N1CC[C@H](B(O)O)C1 1329216550 YGSOMFJGYHNYKB-NSHDSACASA-N 311.168 -0.292 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H](C)C(=O)NCCF)n1 1339913588 JHVJBLHWHZMIOL-SECBINFHSA-N 311.317 -0.192 50 20 DBGD CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 1352876955 IREABIOXOUSGCJ-LBPRGKRZSA-N 304.155 -0.693 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1cccc(Cl)n1 1521738000 UUOSBEXTGMSUHC-MWLCHTKSSA-N 323.784 -0.116 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ncccc1C(=O)O 1573928957 OXVMHRYDXVPFEV-UHFFFAOYSA-N 302.312 -0.838 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CO1 1574687149 ROBWJHNJFRYDHM-MWLCHTKSSA-N 322.321 -0.074 50 20 DBGD CN1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1=O 1591177301 AQQNTMBUNSHOGK-QMMMGPOBSA-N 302.298 -0.817 50 20 DBGD O=C(Cc1ccccc1O)NNC(=O)[C@]1(C(=O)O)CCCO1 1594711089 IEDAWKXRPAOEPT-AWEZNQCLSA-N 308.290 -0.284 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(C(=O)O)[nH]1 1600250664 OJQZFWIMCAPQFG-MRVPVSSYSA-N 324.293 -0.714 50 20 DBGD Cn1cnn(CCC(=O)NNc2ccccc2C(=O)O)c1=O 1600994864 ZMCBNAVSXZMQNF-UHFFFAOYSA-N 305.294 -0.187 50 20 DBGD O=C1C[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)NC(=O)N1 1602654007 ZOKCWRYWZRHPJJ-ZETCQYMHSA-N 310.241 -0.435 50 20 DBGD C[C@@H](O)C[C@H](CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1604383688 OKULSTBUWLIFHJ-MWLCHTKSSA-N 309.322 -0.044 50 20 DBGD Cn1cnc(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1606263316 MSSLNYGOACGIRT-UHFFFAOYSA-N 315.301 -0.784 50 20 DBGD O=C(NC[C@H]1COCO1)NNc1ccc(-c2nn[nH]n2)cn1 1606755908 VROWPNWGVWCMFE-QMMMGPOBSA-N 306.286 -0.739 50 20 DBGD Cc1cc(C(=O)NNC(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)n[nH]1 1607579870 AMIZSDGAOZEZFY-DTWKUNHWSA-N 310.310 -0.251 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 1610714006 DICDOJGNERJSGG-UHFFFAOYSA-N 305.168 -0.726 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)c1ccccc1 8389903 LAIOKQZWBYZTRL-UHFFFAOYSA-N 306.322 -0.912 50 20 DBGD C[C@H](N)[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 156529793 YFXOTIICGHDRML-UWVGGRQHSA-N 312.395 -0.443 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)nn1C 174153861 PLCWHFKLZIVBMB-UHFFFAOYSA-N 307.354 -0.073 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 266347082 XEXRMVKLIGZVGR-OLZOCXBDSA-N 321.333 -0.696 50 20 DBGD Cc1oc(C(=O)NNC(=O)C2CCC2)cc1S(N)(=O)=O 268101915 KVVRWYYMVVPWKV-UHFFFAOYSA-N 301.324 -0.203 50 20 DBGD N#Cc1ccc(C(=O)NNS(=O)(=O)N2CCOCC2)cc1 268776048 NUTFZIZROXTBNO-UHFFFAOYSA-N 310.335 -0.630 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1ccccc1F 298509984 OSMCJXAIXSQDHZ-UHFFFAOYSA-N 318.326 -0.352 50 20 DBGD O=C1COc2ncc(C(=O)NNC(=O)c3ccncc3)cc2N1 368466290 LETZUXCLOKOTGY-UHFFFAOYSA-N 313.273 -0.118 50 20 DBGD CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584939071 KVWKVBQERIJCMQ-IUCAKERBSA-N 310.134 -0.462 50 20 DBGD C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc(B(O)O)ccc1F 584957131 FWDCMSZFAYZYAY-ONGXEEELSA-N 311.118 -0.571 50 20 DBGD CC[C@](NC(=O)c1ccc(B(O)O)c(F)c1)(C(N)=O)C1CC1 584978822 YBCBNSYXJHWWMJ-CQSZACIVSA-N 308.118 -0.721 50 20 DBGD CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccccc2B(O)O)C1 585028812 NLGDNAVAOCUZGQ-OLZOCXBDSA-N 311.212 -0.188 50 20 DBGD C[C@H](C(=O)N1CC[C@H](B(O)O)C1)n1nnc(-c2ccccc2)n1 585068006 XTULQBMQUPDOBX-PWSUYJOCSA-N 315.142 -0.024 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1nccnc1Cl 734261421 XAPBMWRNNXJKDC-SSDOTTSWSA-N 319.774 -0.003 50 20 DBGD CCOCC(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 736609719 RAFCDGNGVOFPIY-LLVKDONJSA-N 319.325 -0.950 50 20 DBGD COCCN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736989273 XXRPROZQWDHDMW-UHFFFAOYSA-N 319.325 -0.201 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCCOC1 748619612 TXCOPQICQJSWGJ-QWRGUYRKSA-N 303.359 -0.205 50 20 DBGD CC[C@@H](C)NC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 749764336 BYCQETGRHFKPQD-HTQZYQBOSA-N 308.429 -0.350 50 20 DBGD COc1ccccc1C(=O)NNC(=O)Cn1cc([C@H](C)O)nn1 763043085 CCGWXAVWKOIESH-VIFPVBQESA-N 319.321 -0.199 50 20 DBGD CCCNC(=O)NNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 772691218 IKGZMMCTRHLLDX-SNVBAGLBSA-N 320.415 -0.213 50 20 DBGD CC(Cl)(Cl)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 777368343 URBOADXIVZHFDR-YFKPBYRVSA-N 318.182 -0.302 50 20 DBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ncncc1F 817070231 GRDGLWOAMOVRSW-VIFPVBQESA-N 317.346 -0.127 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NN(C)[C@H](C)CO 823971737 YVQQMEIHWPJXPD-VXGBXAGGSA-N 321.443 -0.076 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 827273240 FXLWBKLTDYHEJT-VIGHYCJDSA-N 317.411 -0.007 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)ccc1O 831857680 HJTPKVPRXMDMHL-UHFFFAOYSA-N 316.339 -0.654 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)c2cccc(F)n2)C1 853876382 CJJMKNIILBYLQE-UHFFFAOYSA-N 311.273 -0.385 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(OC)n(C)n1 854283594 BPVTYDYFUMZKGK-UHFFFAOYSA-N 315.399 -0.084 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 854927208 YTHJCCVDOXIACT-GFCCVEGCSA-N 313.383 -0.826 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cc[nH]n1 855361811 JFLAETVEJPTJLI-VIFPVBQESA-N 305.338 -0.038 50 20 DBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1C 858174484 RKZJCVGRQNJUJW-FBDQPXRJSA-N 318.395 -0.372 50 20 DBGD CCn1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1=O 860500121 FJVPAQQVJIRLIO-SECBINFHSA-N 307.310 -0.701 50 20 DBGD CC(C)CN1N=C(C(=O)NNC(=O)c2cn[nH]c2)CCC1=O 862471257 XSUCBMUIHMQEGF-UHFFFAOYSA-N 306.326 -0.195 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSc1ccc(O)cc1 863462825 XZVIMCUFMHNYKY-UHFFFAOYSA-N 318.376 -0.324 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 863463708 RHHMWVUXDWMBAR-SNVBAGLBSA-N 316.310 -0.679 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)cc(O)n1 863464376 MFSKFHAOKBXANK-UHFFFAOYSA-N 315.351 -0.284 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CC1)OCCCO2 863883763 LZXXROXOULTBPO-UHFFFAOYSA-N 305.139 -0.264 50 20 DBGD C[C@H](NCC(=O)NNC(=O)C1CC1)c1nnc2ccccn12 1116578314 RPQLKWHPMGXLOF-VIFPVBQESA-N 302.338 -0.063 50 20 DBGD CCC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 1317788776 NFWMPYFPXGJGIL-UHFFFAOYSA-N 314.367 -0.030 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc[nH]2)O1 1319806690 XMBNINQBDSCVKY-ONGXEEELSA-N 323.353 -0.406 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 1323945444 XULKARBGVMXYFN-UHFFFAOYSA-N 319.365 -0.721 50 20 DBGD CSc1ccncc1NC(=O)C(=O)NNC(=O)CN(C)C 1325515948 KJXODRPJNKWTGI-UHFFFAOYSA-N 311.367 -0.549 50 20 DBGD COC1(C(=O)NNc2nncc(N)c2Cl)CCNCC1 1327121004 MLJLMSFZVXSFOU-UHFFFAOYSA-N 300.750 -0.076 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H](F)[C@@H]1CCNC1 1580576723 WLBDNPQJONEAMI-QMTHXVAHSA-N 319.340 -0.028 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1 1601635728 JJPVEWSHTFKWBX-UHFFFAOYSA-N 312.307 -0.419 50 20 DBGD O=C(NN[C@H](Cc1ccc(F)cc1)C(=O)O)[C@@H]1COCCO1 1601662179 WOSICBQSCQFPLS-NEPJUHHUSA-N 312.297 -0.142 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(C(=O)O)c(F)c1 1604358040 JZSBXOZRKUBRMM-LURJTMIESA-N 319.314 -0.095 50 20 DBGD C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1845178069 QSLOOQFJAHFJCM-DTWKUNHWSA-N 305.737 -0.141 50 20 DBGD O=S1(=O)CCC[C@H](NS(=O)(=O)CBr)C1 127469538 CLGMZNVOTWLOKV-LURJTMIESA-N 306.203 -0.165 50 20 DBGD O=C(NNS(=O)(=O)c1ccc(-n2cnnn2)cc1)C1CCC1 264785575 ROUKJGMFEGKYRO-UHFFFAOYSA-N 322.350 -0.228 50 20 DBGD Cc1ccc(-n2cnnn2)cc1NC(=O)NNC(=O)CN(C)C 274900625 LDNWRYNIIWFVNC-UHFFFAOYSA-N 318.341 -0.315 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)/C=C\c1ccc[nH]1 492890679 FDQKFDSODKSQOB-RPSMYOMKSA-N 300.340 -0.887 50 20 DBGD CC(C)(CCS(C)(=O)=O)NC(=O)c1cccc(B(O)O)c1 584956182 UFLPMVKOLJVNJN-UHFFFAOYSA-N 313.184 -0.691 50 20 DBGD CC(C)(CNC(=O)c1cc(B(O)O)ccc1F)S(C)(=O)=O 584960879 OFXWYYDYSZSIIX-UHFFFAOYSA-N 317.147 -0.942 50 20 DBGD COCCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCO[C@H]1C 584981353 DVPLRZVTGBQXLN-FZMZJTMJSA-N 307.155 -0.368 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]1c1ncon1 584992553 PGXSYOTVERXJNA-LLVKDONJSA-N 305.074 -0.134 50 20 DBGD O=C1CCCN1C[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 585008086 GBGAQRKNNTYZRM-LBPRGKRZSA-N 316.166 -0.549 50 20 DBGD OC[C@@H]1CCCN1CCCCNCc1ccccc1B(O)O 585024205 UVTRGUXQMOSPMT-HNNXBMFYSA-N 306.215 -0.307 50 20 DBGD CCN1CCN(c2ccc(C(=O)NCB(O)O)cc2F)CC1 585061699 YHPCVIHIXCASII-UHFFFAOYSA-N 309.150 -0.291 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)NCc1ccco1 728592656 PIWGANLLMXHQOX-SSDOTTSWSA-N 304.328 -0.952 50 20 DBGD COc1ccnc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 734770715 AJSPBOFULVQVLI-UHFFFAOYSA-N 318.289 -0.126 50 20 DBGD CCc1ccc(C(=O)NNC(=O)c2cn(CC(N)=O)nn2)cc1 742476437 CHIFCGMXYGSJON-UHFFFAOYSA-N 316.321 -0.599 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)C1CCC1 742664902 MOIGGRCZZLSDGM-CNVPUSNMSA-N 321.333 -0.904 50 20 DBGD CCN(CC)CCCNC(=O)NNC(=O)C(=O)N1CCCC1 748448204 XXUZIKASWFCLRQ-UHFFFAOYSA-N 313.402 -0.329 50 20 DBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ncc(F)cn1 760905957 IBFOTKOUWFLZQY-SECBINFHSA-N 317.346 -0.127 50 20 DBGD O=C(NNC(=O)C1SCCS1)C(=O)Nc1ccccn1 761174663 HTXMVOZIRWOTCF-UHFFFAOYSA-N 312.376 -0.026 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(=O)n(-c2ccccc2)n1 787949267 CYBHEGKJBWPCAR-UHFFFAOYSA-N 316.317 -0.236 50 20 DBGD COc1cc(NNC(=O)[C@@H](CO)NC(N)=O)ccc1Cl 790179405 QEYKWADXVKJYSK-MRVPVSSYSA-N 302.718 -0.179 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@H](C)CO)n1 792931953 ZSHWHYHPHWQPCL-SECBINFHSA-N 300.384 -0.546 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 798305860 JMVJYBDZCJYBCG-QMMMGPOBSA-N 306.413 -0.908 50 20 DBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802028165 MHMSJWBNABZSCF-NSHDSACASA-N 305.338 -0.085 50 20 DBGD Cn1nnc2c(C(=O)NNC(=O)N=c3cc[nH]cc3)ccnc21 802035914 KXQJJZUKFHBQTE-UHFFFAOYSA-N 312.293 -0.353 50 20 DBGD N#Cc1ncn(CCNC(=O)NNC(=O)c2ccccc2F)n1 805389204 VNMOQYBZYJQUAA-UHFFFAOYSA-N 317.284 -0.067 50 20 DBGD COC(=O)C(C)(C)CC=NNC(=O)[C@H](C)NS(C)(=O)=O 814835455 RAQGPBOGNSIRQC-QMMMGPOBSA-N 307.372 -0.385 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](CC(=O)O)C1 826754684 QIOOEDXRCLIOHG-GHMZBOCLSA-N 315.370 -0.256 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 827299943 OTWNUECIQDTJEJ-DRZSPHRISA-N 321.381 -0.176 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)F)[C@H]1CCCCO1 833241587 CONPQKHLSBXLAX-NXEZZACHSA-N 321.324 -0.331 50 20 DBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842590333 OEUHVWVQOALSHE-DTWKUNHWSA-N 302.356 -0.537 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@H]1SC(=N)NC1=O 843973099 JDVIPFKSUPVYRU-RRKCRQDMSA-N 300.340 -0.885 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)Cn1nc(C)n(C)c1=O 846923393 PNUWMQMSRYVDPG-UHFFFAOYSA-N 317.349 -0.411 50 20 DBGD Cc1nn(CC(=O)NNc2cccc([N+](=O)[O-])c2)c(=O)n1C 847599930 WQVUJIKOUJNPPC-UHFFFAOYSA-N 306.282 -0.058 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 854216478 ADYOQPZFVYXRDM-LBPRGKRZSA-N 309.297 -0.027 50 20 DBGD COC(=O)C(C)(C)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858448687 QMJVXHOMEGHEHV-MRVPVSSYSA-N 314.342 -0.815 50 20 DBGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450064 NGFRZMHJABECOU-JGVFFNPUSA-N 324.362 -0.708 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)CS(C)(=O)=O)cc1 919833126 VJSHEGYVVMBKGT-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD Cn1nccc1S(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 1115962537 LMKIQDCMOUCIER-UHFFFAOYSA-N 324.366 -0.355 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc(C2OCCO2)s1 1117369338 VVXLGRPRAVTZKP-UHFFFAOYSA-N 323.334 -0.085 50 20 DBGD Cc1csc(C(=O)NNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 1118943105 KCWLJVLFTBCXRF-ZETCQYMHSA-N 310.335 -0.194 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O 1318238273 UZHIUIXMINBCCL-UHFFFAOYSA-N 320.271 -0.424 50 20 DBGD CCCc1cnc(NC(=O)C(=O)NNC(=O)CCO)s1 1321102175 RAYOTUSCJHQYBT-UHFFFAOYSA-N 300.340 -0.436 50 20 DBGD O=C(NNC(=O)c1cccc2c1CCOC2)C(=O)NC1CC1 1333654539 NHXLCWZPDMWMME-UHFFFAOYSA-N 303.318 -0.201 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1F 1338693949 ORTBOFQGWSGYFK-UHFFFAOYSA-N 301.205 -0.776 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)CC1(C)OCCO1 1340290632 BELKBECEVPDLRU-MRVPVSSYSA-N 303.315 -0.721 50 20 DBGD O=C(NNC(=S)NCC1CCC1)c1cnn2c(=O)cc[nH]c12 1351043641 CRVOUNWNKGHKBW-UHFFFAOYSA-N 320.378 -0.068 50 20 DBGD CNCCCN(C)CC(=O)NNC(=O)Cc1nc(C)cs1 1578687232 CHHPMBNQULGPCH-UHFFFAOYSA-N 313.427 -0.317 50 20 DBGD COc1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cn1 1591663062 XCAVUNFDYUTLNA-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594702397 ZNRUOCFIQYUIQN-JTQLQIEISA-N 323.261 -0.852 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccsc1-c1nn[nH]n1 1606851667 HLSXSGBROGQMSD-UHFFFAOYSA-N 323.338 -0.385 50 20 DBGD Cc1nccn1-c1ncccc1CNC(=O)NNC(=O)C(=O)O 1610565734 WEAXEVOANIFMDK-UHFFFAOYSA-N 318.293 -0.509 50 20 DBGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236829 PPNRZHOLYFLXLY-ZETCQYMHSA-N 321.171 -0.716 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1 7726072 WVPRKBXZCXJOGD-UHFFFAOYSA-N 321.305 -0.201 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1ncccn1 48696272 ZXIFNUKRTKTZIW-QMMMGPOBSA-N 302.381 -0.160 50 20 DBGD CC(C)(CNS(=O)(=O)CBr)NS(C)(=O)=O 127469030 BNUZZAUHEWOYOS-UHFFFAOYSA-N 323.234 -0.414 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 275548878 GNFYSWNHEPRRHT-QWRGUYRKSA-N 321.337 -0.350 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)COCc2ccccc2)O1 280088537 JWPZTHXRUZMJDK-RYUDHWBXSA-N 321.333 -0.617 50 20 DBGD Cc1noc(C)c1CNC(=O)COc1ccc(B(O)O)cc1 584909122 FHSZNGGWAQJXRB-UHFFFAOYSA-N 304.111 -0.334 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584955566 RNCHZVRJVQMSEI-CDGCEXEKSA-N 305.114 -0.245 50 20 DBGD O=C1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C2(CCC2)N1 584987195 JHQGNRNRRJRSRY-LBPRGKRZSA-N 320.129 -0.563 50 20 DBGD Cc1nnc(C23CC(CN2C(=O)c2cccc(B(O)O)c2)C3)o1 585007938 DBVLNGFETUUYAB-UHFFFAOYSA-N 313.122 -0.181 50 20 DBGD CCC(=O)N1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 728435333 YLJCPUZWQNOVCW-VIFPVBQESA-N 318.399 -0.571 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@]12CCC(=O)N1CCS2 728892344 TXXYLSDSTUMHGP-CQSZACIVSA-N 320.374 -0.163 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 729966255 PRZWMUXSKAABOV-UHFFFAOYSA-N 321.333 -0.009 50 20 DBGD N#Cc1cccc(NNC(=O)NCCN2C(=O)CNC2=O)c1 733658474 ZPXZVWVSTDKFDY-UHFFFAOYSA-N 302.294 -0.264 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCC(=O)N2CCCCC2)cn1 735510530 MWZSSDHVSAFHBN-UHFFFAOYSA-N 322.369 -0.233 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)CCOC(C)C 749010649 HOIHKWNEVUOYCW-UHFFFAOYSA-N 323.415 -0.333 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1c(F)cccc1F)C(N)=O 774094183 WJOURJQWBBEMLD-UHFFFAOYSA-N 322.293 -0.715 50 20 DBGD O=C(CN1CCC(Cn2cncn2)CC1)NNC(=O)C1CC1 778224176 GGCZVTNIWCLXRX-UHFFFAOYSA-N 306.370 -0.453 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnc(C(=O)OC)c1 786252734 DWXDJXIIXCFFCY-QMMMGPOBSA-N 323.305 -0.029 50 20 DBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNc1nc2ccccn2n1 791242623 KOUGNZRMURZLQK-UHFFFAOYSA-N 302.254 -0.023 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H](NS(C)(=O)=O)C(C)C 798305592 WKSKZLQUXMMVLE-MRVPVSSYSA-N 308.429 -0.759 50 20 DBGD O=C(CNC(=O)C1CC1)NNc1ccc(-n2ccnc2)nn1 804953231 IEJWWIHHEHUXDU-UHFFFAOYSA-N 301.310 -0.368 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)CO1 825847920 QUMGPCYXZBFPAA-IUCAKERBSA-N 310.310 -0.483 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nc(C2CC2)n[nH]1 827126839 MINFPKVVKQSAIZ-IONNQARKSA-N 308.342 -0.063 50 20 DBGD CC(C)C(=O)NNC(=O)CN1C[C@H](C(N)=O)Cc2ccccc21 828282018 ZOCMKQVMYZREET-GFCCVEGCSA-N 318.377 -0.046 50 20 DBGD CC(C)[C@H](CNC(=O)NNC(=O)[C@@H]1COCCO1)C(=O)O 848589682 HSWJRPXNIVOMGF-IUCAKERBSA-N 303.315 -0.911 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858692973 BOURUIIYZOZQQK-NSHDSACASA-N 306.322 -0.196 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC([C@@H]3CCCO3)CC2)N1 858698788 ARBILAASDYOMFW-RYUDHWBXSA-N 324.381 -0.103 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@]2(C3CCCC3)CCNC2=O)cn1 859446697 CDPVXHFNESRDDP-HNNXBMFYSA-N 319.365 -0.122 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNCC(F)(F)C(F)(F)F 863095746 WCGJBUVKFBDXPZ-BYPYZUCNSA-N 313.248 -0.258 50 20 DBGD COC(=O)C[C@]1(NC(=O)c2cccc(B(O)O)c2)CCCOC1 863879422 SIRPFSCZZCUTPO-OAHLLOKOSA-N 321.138 -0.792 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1COCO1 923858948 ORVOFSBNBZAGNP-LLVKDONJSA-N 309.322 -0.059 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1([S@](C)=O)CC1 1116920938 QDWLFBNBRNHKTI-FPVGNUTFSA-N 321.399 -0.721 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cc[n+]([O-])cc1 1323535569 UMTMUTJCEVZSDC-UHFFFAOYSA-N 310.310 -0.394 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1csc(N(C)C)n1 1330731392 MNKLXXQJXZKPBZ-UHFFFAOYSA-N 301.328 -0.788 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)CC(F)(F)F 1331641853 JJCCDWNHBKCLQW-YFKPBYRVSA-N 316.305 -0.124 50 20 DBGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1348436449 OIGXKCRAERSYOK-ZETCQYMHSA-N 316.383 -0.668 50 20 DBGD C[C@]1(CNC(=O)C(=O)NCCCON)C[C@H]1Br 1353160440 UKUODPLGWLGKBW-GMSGAONNSA-N 308.176 -0.327 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@@H]2CNCCC2(F)F)cn1 1579953235 OWLJZQVQTDSJSJ-VIFPVBQESA-N 316.312 -0.391 50 20 DBGD O=C(O)C[C@H](CNC(=O)NNC(=O)[C@@H]1COCCO1)C1CC1 1601894208 YHXWCWJNXLEWHZ-ZJUUUORDSA-N 315.326 -0.767 50 20 DBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 1603321249 QZONZPBQCFZTSM-AWEZNQCLSA-N 323.305 -0.342 50 20 DBGD CC(C)n1c(S)nnc1CCNC(=O)NNC(=O)C(=O)O 1604032113 VXQQFYZFPVODSX-UHFFFAOYSA-N 316.343 -0.895 50 20 DBGD COc1cc(S(=O)(=O)NNC(=O)N(C)C)ccc1C(=O)O 1607188090 INFBOFZUKMMZGK-UHFFFAOYSA-N 317.323 -0.142 50 20 DBGD O=C(O)c1nscc1S(=O)(=O)NNC(=O)[C@H]1CCCO1 1609004839 AOWCWQORGXULJR-RXMQYKEDSA-N 321.336 -0.670 50 20 DBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C1CC1 1801636030 VRMIUWNOYRYZBR-WRWGMCAJSA-N 316.785 -0.414 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCOC[C@H]2C)n1 26451966 BBQBVTKQIVXXQT-SNVBAGLBSA-N 312.395 -0.138 50 20 DBGD CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)CCl)C1 111001553 AQWRAQVPZAXKHJ-MRVPVSSYSA-N 304.821 -0.226 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)c1ccc[nH]1 125825381 PLMATEYHPGBAAY-UHFFFAOYSA-N 305.250 -0.454 50 20 DBGD O=C(CN[C@]1(CO)CCc2ccccc21)NNC(=O)C1CC1 132198815 JQSXEPAUYOITIR-INIZCTEOSA-N 303.362 -0.033 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)n1 279747019 BXBYSTMCQJGVIW-UHFFFAOYSA-N 304.306 -0.310 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CCS(C)(=O)=O)c(O)c1 298921836 DLPSLGLLDMIUND-UHFFFAOYSA-N 300.336 -0.104 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCNC(=O)OC 491968647 OJFMPWHCDRHLSB-UHFFFAOYSA-N 302.331 -0.815 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CCN(CC(F)(F)F)C2)o1 585016879 CMNMXMAMZRLJHR-SECBINFHSA-N 306.093 -0.067 50 20 DBGD O=C1C[C@@H](NCc2cccc(B(O)O)c2)CN1CC(F)(F)F 585024705 BBOWCHLCVGPUPL-LLVKDONJSA-N 316.088 -0.381 50 20 DBGD O=C1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CN1Cc1ccccn1 585069498 NIKBYWIWXGYRHM-VXGBXAGGSA-N 317.154 -0.495 50 20 DBGD O=C(Cc1cnn(-c2ccccc2)n1)N1CC[C@@H](B(O)O)C1 585074943 DSFHNELEJOZGCS-LLVKDONJSA-N 300.127 -0.115 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)c1coc(S(N)(=O)=O)c1 757651372 VJEMSYKEXKGHIU-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)N=c1nc[nH]n1C 757762790 WOEXZJWGHRHLAK-UHFFFAOYSA-N 320.309 -0.523 50 20 DBGD CN(C)C(=O)Cn1ccc(NC(=O)NNc2cnccn2)n1 769992844 LQYXCZCCLLDCAK-UHFFFAOYSA-N 304.314 -0.090 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCCC[C@H](S(C)(=O)=O)C1 770000357 CAFZAYAPHRYBHH-QWRGUYRKSA-N 319.427 -0.169 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(O)nc(OC)n1 772363992 CZRXTJUHOKWNNS-ZCFIWIBFSA-N 312.282 -0.707 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](CO)c1cnn(C)c1 778136097 COOICELSZNROLT-CMPLNLGQSA-N 311.386 -0.375 50 20 DBGD NC(=O)c1ccc(CC(=O)NNC(=O)N=c2cc[nH]cc2)cc1 802029600 QSINDNAPLGOGLB-UHFFFAOYSA-N 313.317 -0.002 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCc2ccc(O)cc21 822689423 ZYJGTFUWHCJFTL-LBPRGKRZSA-N 318.333 -0.012 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1sccc1-c1nn[nH]n1 823273427 NCSYEKZDSLEVBU-ZETCQYMHSA-N 324.322 -0.895 50 20 DBGD O=C(NNC(=O)c1nccc2[nH]ccc12)C(=O)N1CCCC1 824877697 VYGBLOBOHFGABR-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD CS[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858254038 BKSHVWHLVOHGBU-YIZRAAEISA-N 300.384 -0.121 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCOc3ccccc32)N1 862454471 GSOFNDHFLRTDSM-MNOVXSKESA-N 303.318 -0.021 50 20 DBGD Cn1cnc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccc21 862457250 FBBBKWHIIRYGJC-VIFPVBQESA-N 301.306 -0.387 50 20 DBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cn[nH]c2)C1 863414414 VOJHOYOJSBKRPO-RKDXNWHRSA-N 301.372 -0.133 50 20 DBGD COCCOCC(=O)NNC(=O)c1cccc(C#CCO)c1 913433897 RGAVWBSEBXHLFG-UHFFFAOYSA-N 306.318 -0.546 50 20 DBGD CC(C)CO[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915262470 YQSLJEVMRGFFAW-NXEZZACHSA-N 306.384 -0.370 50 20 DBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CCO)cn1 1116599644 BOZUMBREZSWDGM-UHFFFAOYSA-N 310.310 -0.663 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN([C@@H]2CCOC2)CC1 1118570192 CJWWZDVIKVFTNJ-GFCCVEGCSA-N 314.386 -0.393 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)NCC(F)(F)F)n1 1118759635 SDCYTZYLLOBBSH-UHFFFAOYSA-N 322.251 -0.974 50 20 DBGD CC(C)OCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1119274868 ACVLRUJMGUPPJS-UHFFFAOYSA-N 309.326 -0.225 50 20 DBGD CC1(C)NC(=O)N(CCCNC(=O)NNc2ncccn2)C1=O 1263758182 QVCJHLCTOOXRML-UHFFFAOYSA-N 321.341 -0.177 50 20 DBGD O=C(NNC(=O)[C@@H]1CCSC1)N[C@@H]1CCS(=O)(=O)C1 1319157410 ONZSNTIYRRFIKI-HTQZYQBOSA-N 307.397 -0.743 50 20 DBGD CCc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1C 1323642780 WKPJPSGJTVLXTG-QMMMGPOBSA-N 314.367 -0.822 50 20 DBGD Cc1nnc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)o1 1324754961 NQLVQXDGALXKII-UHFFFAOYSA-N 313.314 -0.407 50 20 DBGD Cn1ncc2cc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)cnc21 1331896724 RJIGWBQKDQZDGY-SECBINFHSA-N 310.144 -0.794 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2ncccn12 1341145660 SSDAAWZGUGTGEK-MRVPVSSYSA-N 310.339 -0.883 50 20 DBGD CCc1ccc(C(=O)NNC(=O)c2cn(CCN)nn2)cc1 1578252828 QTOSPWZOYMHTQK-UHFFFAOYSA-N 302.338 -0.126 50 20 DBGD CC(C)NC(=S)NNC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1589725369 RAFGHOODBHNCOE-UHFFFAOYSA-N 320.382 -0.292 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1590336532 IJRXHPCYKIKIFP-JGVFFNPUSA-N 319.325 -0.609 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C2(C(=O)O)CC2)cc1 1594623604 DACMABKKAKMLQF-UHFFFAOYSA-N 303.274 -0.051 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 1594646126 VZNPARVHOXCWTF-HTQZYQBOSA-N 311.298 -0.455 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccccc1Cl 1602072068 MNUJYANVPBWNLL-UHFFFAOYSA-N 307.715 -0.083 50 20 DBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795527186 CRYCEJODMAWPNB-WYFGTUCQSA-N 303.790 -0.448 50 20 DBGD C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)CN(C)C 75653385 OOTCUPXFJOFBIJ-UHFFFAOYSA-N 302.334 -0.178 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1 266810179 VGYHBCMRJVDAAF-CYBMUJFWSA-N 318.333 -0.585 50 20 DBGD COC(=O)NCCC(=O)NN=c1nc(-c2cccnc2)[nH]o1 491274849 XWOHOCIHRMRGTC-UHFFFAOYSA-N 306.282 -0.257 50 20 DBGD COC(=O)NCC(=O)NNc1cccc(S(C)(=O)=O)c1 494419509 VPHDTMUKHQPRRF-UHFFFAOYSA-N 301.324 -0.111 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 496473630 PSCJGESIPSOBJN-QPUJVOFHSA-N 307.306 -0.118 50 20 DBGD CCN(CC)CCOC1CN(C(=O)c2ccc(B(O)O)cc2)C1 584958604 UCFZLIWOXQSNNN-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD O=C(NC[C@H](CO)CC1CCOCC1)c1ccc(B(O)O)cc1 584981225 AKSDYVYOCHXPBM-CYBMUJFWSA-N 321.182 -0.479 50 20 DBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](CO)O1 584999087 CYUVISYFTWKGMB-JTQLQIEISA-N 311.118 -0.883 50 20 DBGD C[C@H]1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC(=O)N1 585053297 CYMBUXGQZOVARE-WCBMZHEXSA-N 301.111 -0.202 50 20 DBGD CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCB(O)O)c1 585055926 LEXDCCXIWPXXFN-UHFFFAOYSA-N 320.563 -0.668 50 20 DBGD NC(=O)CNC(=S)NNC(=O)COc1ccc(F)cc1 727067938 VHDITAPKQKPWPC-UHFFFAOYSA-N 300.315 -0.815 50 20 DBGD CN(C)CC(C)(C)CNC(=S)NNC(=O)N1CCOCC1 727083054 GSDDGEVLMJEJKR-UHFFFAOYSA-N 317.459 -0.005 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cn2ccccc2n1 728434789 QBQSWJNZEISJKL-SECBINFHSA-N 309.351 -0.278 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 740851360 AZRPMIDDRCZYRG-SECBINFHSA-N 324.381 -0.551 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C)cc(C(=O)O)c1F 753775051 QFZSCQVGIQOKHP-UHFFFAOYSA-N 305.287 -0.045 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)CCc2ccccc2O)C1 754421843 ZISORWFNJJQGKO-CYBMUJFWSA-N 307.350 -0.197 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1N(C)C 764316710 DAMLNWNLFLXDKO-UHFFFAOYSA-N 323.353 -0.422 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnccc1SC 764325720 ROJFZMYKRIYZKO-UHFFFAOYSA-N 312.351 -0.074 50 20 DBGD COCC[C@@]1(NCC(=O)NNC(=O)C(C)(C)C)CCOC1 773948369 MBDDGOWAJMSZNN-CQSZACIVSA-N 301.387 -0.035 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ccccn1 777473135 WYCONCGJPCSVGT-NRMKKVEVSA-N 316.317 -0.313 50 20 DBGD Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)C(C)(C)O 785463298 USBRGRHWNMVFLR-UHFFFAOYSA-N 309.370 -0.214 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)N(C)CC(F)(F)F 793447494 OAFNUIYOWDNHFY-SSDOTTSWSA-N 307.276 -0.018 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1cc(O)ccc1[N+](=O)[O-] 796849062 SRYHSXXPUQQSLB-SNVBAGLBSA-N 311.250 -0.523 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)C2CCC2)C1 801068702 DGQCVWCKIUTAND-UHFFFAOYSA-N 304.372 -0.803 50 20 DBGD CN(C)c1cnc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1 802032926 XDCSZHIXLSATSO-UHFFFAOYSA-N 301.310 -0.174 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C2\SCC(=O)N2C)CC1 822764618 KPELWDMVGQLDIY-XFFZJAGNSA-N 313.383 -0.979 50 20 DBGD C[C@@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 839533831 YQBJGEIFBHEMFG-SKDRFNHKSA-N 322.321 -0.189 50 20 DBGD Cc1nn(CC(=O)NNC(=O)NC2CCCCC2)c(=O)n1C 847287720 ZRPQGNPZXGUHFC-UHFFFAOYSA-N 310.358 -0.447 50 20 DBGD CC1=C(C(=O)NNc2ccncn2)[C@@H](C)n2nnnc2N1C 848163470 KBOQXLIEUKTPRH-MRVPVSSYSA-N 301.314 -0.109 50 20 DBGD O=C(NNC(=O)c1ncc[nH]1)c1csc(N2CCOCC2)n1 854224370 QKFKWFIGGBUPHO-UHFFFAOYSA-N 322.350 -0.222 50 20 DBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)C(=O)NC1CC1 854291678 JEOJHZHQMSFGBX-LLVKDONJSA-N 312.370 -0.647 50 20 DBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1(C)C 858700503 NCHJYMQPXCGLGQ-NXEZZACHSA-N 312.370 -0.247 50 20 DBGD Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862455063 CWLHXCJJNYLPKS-SECBINFHSA-N 306.278 -0.057 50 20 DBGD O=C(CCc1cccc2c1OCO2)NNC(=O)[C@@H]1CCC(=O)N1 862462200 VSQCJTQDUMWGKS-JTQLQIEISA-N 319.317 -0.226 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1cn[nH]c1 862473281 MDZBESDDXPYFDL-RNFRBKRXSA-N 319.243 -0.372 50 20 DBGD CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 863868546 ANAIIPRJDXTPQY-GFCCVEGCSA-N 323.179 -0.513 50 20 DBGD COC(C)(C)CCNC(=O)NNC(=O)C(=O)N1CCCC1 876080180 YTIXGTLYUKFBGX-UHFFFAOYSA-N 300.359 -0.246 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)C1CCCC1 916517246 ZCMIURISVKJBHL-UHFFFAOYSA-N 306.388 -0.554 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)c2ncnn2C)nc1C 1118537736 XCQWWPKSZXJPKN-UHFFFAOYSA-N 305.298 -0.153 50 20 DBGD CN(CCCn1ccnc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118810271 HMJLOEAEVVTPLY-SNVBAGLBSA-N 308.342 -0.776 50 20 DBGD CSCCNC(=S)NNC(=O)C(=O)Nc1ccccn1 1319665006 AVXCATGIKWTCMI-UHFFFAOYSA-N 313.408 -0.122 50 20 DBGD CN(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O 1319841375 CJHMFBCCTUTIHO-NRPADANISA-N 315.399 -0.246 50 20 DBGD Cc1c(C(=O)NNC(=O)CN(C)C)cnn1C1CCOCC1 1319892382 HYHIVPDTAKTZBO-UHFFFAOYSA-N 309.370 -0.134 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 1324170011 RFUSOZNHEUWQEL-UHFFFAOYSA-N 320.305 -0.012 50 20 DBGD C[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1cnn(C)c1 1330236924 OPIHDRSPYCRYJC-BXKDBHETSA-N 315.399 -0.138 50 20 DBGD C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 1330437428 ULVULBYZUCIKJE-OIBJUYFYSA-N 305.338 -0.498 50 20 DBGD Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 1339772181 QPRWFBIZLRDRGS-SECBINFHSA-N 321.381 -0.025 50 20 DBGD C[C@H](Cc1ccncc1)NC(=O)NNC(=O)C(=O)NC1CC1 1339958017 QQHOKZBEAFLWIF-SECBINFHSA-N 305.338 -0.378 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc2c1COC2=O 1346973831 DOVHDKLIABKBDL-UHFFFAOYSA-N 303.274 -0.147 50 20 DBGD COCCN(C)NC(=O)/C=C(/C)C(=O)NN(C)CCOC 1528409636 PJBJJUDJTWWQTI-KHPPLWFESA-N 302.375 -0.849 50 20 DBGD CCn1c(NNC(=O)[C@@H](OC)C(=O)O)nc2ccccc2c1=O 1573970080 GYKMVBWOXOHGKQ-SNVBAGLBSA-N 320.305 -0.041 50 20 DBGD C#CCN(CC(=O)O)CC(=O)NNC(=O)c1cccc(C#N)c1 1588419705 BLBPEOSNDSISOL-UHFFFAOYSA-N 314.301 -0.661 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1c(C)nc2ccccn12 1593907891 BGTAIDDCHZUHKN-JTQLQIEISA-N 306.278 -0.497 50 20 DBGD O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)[C@H]1COCCO1 1594779784 WPZWTXJFZMLAOH-LFNDISMMSA-N 312.322 -0.560 50 20 DBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@H]2COCCO2)c1 1600108810 UAXHXUFDWZBMBX-LLVKDONJSA-N 308.290 -0.130 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1605511516 MNPJBIVYMGJOHL-UHFFFAOYSA-N 318.289 -0.654 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 1608530905 LWXRAJHXWOIKSD-UHFFFAOYSA-N 303.633 -0.350 50 20 DBGD CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234224 GBVGTGPUWORVBF-UHFFFAOYSA-N 304.774 -0.235 50 20 DBGD CNC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 48950524 IXPDJQYHHPOJIO-LURJTMIESA-N 306.369 -0.625 50 20 DBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)NCc1ccco1 138883651 WSIOPKLWQVWIEY-UHFFFAOYSA-N 308.254 -0.085 50 20 DBGD CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1cnn(C)c1 270456683 PRXRIYJLGPSQBV-SECBINFHSA-N 311.342 -0.047 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2C(=O)CN(C)C2=O)c1 273016265 QTLZDMCBABDBLH-UHFFFAOYSA-N 320.305 -0.190 50 20 DBGD Cn1nc(C(=O)NNC(=O)N2CCOCC2)cc1OC(F)F 274247092 FWYNMEJJLNDJLV-UHFFFAOYSA-N 319.268 -0.292 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccncn2)C[C@@H](C)O1 275237328 VXMQMOSAPNULSG-GHMZBOCLSA-N 307.354 -0.263 50 20 DBGD COC(=O)CC[C@@H](N)C(=O)NNC(=O)c1cccc(N(C)C)c1 290319545 OEPUBCAINNQWHM-GFCCVEGCSA-N 322.365 -0.206 50 20 DBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(B(O)O)ccc1F 584937122 RAPFUNFBLZSPPT-NWDGAFQWSA-N 322.145 -0.902 50 20 DBGD CC(C)OCC[C@H](C#N)NC(=O)c1cc(B(O)O)ccc1F 584973621 IKOKDQXGPMGIJQ-LLVKDONJSA-N 308.118 -0.057 50 20 DBGD CC(C)(C)c1n[nH]c(CNC(=O)c2cccc(B(O)O)c2)n1 584997508 DLXULOVPYLLVHX-UHFFFAOYSA-N 302.143 -0.288 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](n2ccnn2)C1 585001651 XGVQPIFBTRHUSX-ZDUSSCGKSA-N 300.127 -0.565 50 20 DBGD Cc1cccc(OC[C@@H](O)CNCc2ccc(B(O)O)o2)c1 585018905 WHOVVXKFNIEAIY-LBPRGKRZSA-N 305.139 -0.203 50 20 DBGD Cc1nc2n(n1)C[C@@H](NCc1ccc(B(O)O)cc1F)CC2 585019925 JVFJDQCPDCWRFE-LBPRGKRZSA-N 304.134 -0.490 50 20 DBGD Cc1cc(CNCc2ccc(B(O)O)o2)ccc1S(C)(=O)=O 585028585 NCTUYSWJICIISO-UHFFFAOYSA-N 323.179 -0.039 50 20 DBGD CNS(=O)(=O)c1ccc(N2CC[C@@H](B(O)O)C2)c(F)c1 585078443 DOLLJHUGWILHHK-MRVPVSSYSA-N 302.136 -0.213 50 20 DBGD CCCC(=O)NC1CCN(CC(=O)NNC(=O)C2CC2)CC1 733194338 KQXMOYJSNDCMCR-UHFFFAOYSA-N 310.398 -0.076 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](NC(C)=O)C(C)C 740851724 SCNJVHZEUIJTBN-LLVKDONJSA-N 314.386 -0.401 50 20 DBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)N1CCOCC1 745995969 FXFMPAGAJTVQQX-QWRGUYRKSA-N 301.343 -0.357 50 20 DBGD CC(C)OCc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764421806 NRXBPYFJAQQSNA-UHFFFAOYSA-N 309.322 -0.310 50 20 DBGD COC(=O)[C@@]1(NCC(=O)NNC(=O)C(C)(C)C)CCOC1 767685516 PMTPTYGUSCHGEI-CYBMUJFWSA-N 301.343 -0.898 50 20 DBGD CCNC(=O)N(C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 770549394 PMCZGVZGMNKWIM-UHFFFAOYSA-N 322.321 -0.162 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCc2cnccn2)n1 775453480 ABLJWJVPCDYKIC-UHFFFAOYSA-N 317.353 -0.137 50 20 DBGD CN(NC(=O)CCNC(=O)c1n[nH]c2ccccc12)C(N)=O 778415930 VNPWHAUBBOZINR-UHFFFAOYSA-N 304.310 -0.276 50 20 DBGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccn1 778711864 WZDXKNGZTAXSAM-UHFFFAOYSA-N 323.353 -0.484 50 20 DBGD Cc1cccnc1NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 792513095 AXKQFCABSPOPGF-LLVKDONJSA-N 312.395 -0.048 50 20 DBGD Cn1nncc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 798363939 BWUHSAJTVAYSDC-UHFFFAOYSA-N 303.278 -0.339 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 816809424 XNFQMVBYYFMMSP-NXEZZACHSA-N 306.278 -0.133 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 816831152 IIXQLSZLDPOLCN-NXEZZACHSA-N 319.317 -0.270 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCC(=O)NC1CC1 825721972 UINYEGWRUHMKAV-MWLCHTKSSA-N 312.370 -0.199 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1cccc(F)c1F 830831187 JKYHRSWVZJKDQP-UHFFFAOYSA-N 308.310 -0.196 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)o1 845738433 NTUPLTHDYGJKPV-UHFFFAOYSA-N 318.355 -0.913 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CCNC1 851672709 SJGIZYUEEQHMQE-JTQLQIEISA-N 302.338 -0.051 50 20 DBGD O=C(NNS(=O)(=O)C[C@@H]1CCCO1)c1cccc(F)n1 853051694 QDJPVFGQFMMBHK-QMMMGPOBSA-N 303.315 -0.036 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccc([N+](=O)[O-])cc1 854119477 HEESEUXJVDZPQL-UHFFFAOYSA-N 317.265 -0.468 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C[C@H]2CCC(=O)N2)cc1 854192180 BDQCMGXXDSMMJN-LLVKDONJSA-N 316.317 -0.247 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2F)N1 862452020 INHMGVYDMIHHES-VIFPVBQESA-N 310.241 -0.227 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)N1 862458737 IERRMTHGSZKRPH-KTDTXYJYSA-N 315.373 -0.194 50 20 DBGD NC(=O)[C@H](Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCC(=O)N1 863379198 QGFBDAZCQJBUGC-QWRGUYRKSA-N 324.768 -0.364 50 20 DBGD CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 865089522 FNSNAIQVOYEFRF-HNNXBMFYSA-N 315.182 -0.328 50 20 DBGD CSCCNC(=S)NNC(=O)/C=C\CN1CCOCC1 867162781 UEXIQBANUBWRAC-IHWYPQMZSA-N 318.468 -0.267 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C)C[C@@H]2CO)c1 879001592 BFUOKUGCMQHDQQ-CQSZACIVSA-N 320.393 -0.636 50 20 DBGD O=C(NNC(=O)C1CN([C@H]2CCOC2)C1)c1ccccc1O 895522157 NGAICGSPHGVOPI-NSHDSACASA-N 305.334 -0.126 50 20 DBGD CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)C2 909785577 WMUUWEVGOPCEAJ-RWSFTLGLSA-N 320.173 -0.034 50 20 DBGD CC(C)[C@H](C(=O)NN(C)C[C@H](C)O)N1CCCS1(=O)=O 910159683 AXBUQTJEUKPTDJ-WDEREUQCSA-N 307.416 -0.610 50 20 DBGD CC(=O)N[C@](C)(C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 935859969 DOQXMYSYWOOQED-AWEZNQCLSA-N 313.402 -0.475 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1ncn(C)n1 1116705289 CHDANINZHPPDTI-VIFPVBQESA-N 303.326 -0.156 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NOC[C@@H]1CCOC1 1116749173 BKPXYHLMLAUSHA-VHSXEESVSA-N 305.331 -0.664 50 20 DBGD O=C1N[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCO1 1261789570 HZDOWVMXDQYCSL-SECBINFHSA-N 307.310 -0.452 50 20 DBGD Cc1noc(Cl)c1CCC(=O)NNC(=O)C(=O)NC1CC1 1318029976 VQWXGCYXXGCQBN-UHFFFAOYSA-N 314.729 -0.005 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=Cc1cncs1 1324025966 CAWSYRJZTJHBEP-UHFFFAOYSA-N 312.336 -0.018 50 20 DBGD CCOC1(C(=O)NNC(=O)C(=O)NC(C)C)CCOCC1 1328086682 QONZZZYISGOCLR-UHFFFAOYSA-N 301.343 -0.756 50 20 DBGD O=C(c1cccc(N2CCNC2=O)c1)N1CC[C@@H](B(O)O)C1 1329673371 XCVWLAZPUFKJQD-LLVKDONJSA-N 303.127 -0.095 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)c2cccn2C)n(C)n1 1337968797 JTQITIPUBLBEKO-UHFFFAOYSA-N 318.337 -0.279 50 20 DBGD CN(C)N(C(=O)[C@@H](O)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1343773699 MIZMUPVNQSQYHB-JQWIXIFHSA-N 313.379 -0.393 50 20 DBGD CN(CC(=O)N1CCCC1)C(=O)NNC(=O)c1ncccn1 1350382182 UJAZGDFLMXMRPC-UHFFFAOYSA-N 306.326 -0.615 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1nnnn1C 1354006041 DNUUQDJORWURRX-QMMMGPOBSA-N 321.316 -0.017 50 20 DBGD C[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)c2ncnn21 1549316538 SOBOOAOETZUPKH-JFGNBEQYSA-N 304.354 -0.074 50 20 DBGD COC(=O)[C@@H](N)CCC(=O)NNC(=O)CNc1ccccc1 1573928457 YMWAQCNNELDDNQ-NSHDSACASA-N 308.338 -0.474 50 20 DBGD CN(NC(=O)c1cc2n(n1)CCCC2)C(=O)N1CCNCC1 1578506008 CWDLWNBVSACECW-UHFFFAOYSA-N 306.370 -0.179 50 20 DBGD CNC(=O)NNC(=O)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 1591211968 HCQASHJUALXTCJ-UHFFFAOYSA-N 319.300 -0.002 50 20 DBGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1C[C@H](C(=O)O)C1 1594779281 PCCVAQWZYNPJQM-ZKCHVHJHSA-N 321.293 -0.786 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc(C(=O)O)cc1OC 1598669015 GYHSSBHYCABDIW-UHFFFAOYSA-N 317.323 -0.614 50 20 DBGD CC(C)OCCN1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1603923339 IFLGCEXCYNNBJZ-UHFFFAOYSA-N 316.358 -0.709 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)O)nc1 1604858150 ATVONHIWKZLBFS-SSDOTTSWSA-N 309.278 -0.118 50 20 DBGD C[C@@H](CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1)N(C)C 1605397509 JSKXCEXNBLBZAU-QMMMGPOBSA-N 305.346 -0.162 50 20 DBGD Cn1cc(C(=O)C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cn1 1606227518 MJDOITQCSMPDFU-UHFFFAOYSA-N 313.281 -0.679 50 20 DBGD C[C@H](C(=O)O)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 1607451472 IRISUJIIDZRMSU-SECBINFHSA-N 304.306 -0.276 50 20 DBGD CCNC(=O)NNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 65190852 SYFRYHUSFAQBEH-UHFFFAOYSA-N 319.321 -0.570 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 178949583 RLBXYRSVUSACSM-VAWYXSNFSA-N 306.366 -0.147 50 20 DBGD COc1cccc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 272361480 FKBKOZMTUGARBP-MRVPVSSYSA-N 300.340 -0.097 50 20 DBGD COc1ccc(NNC(=O)NC[C@@H]2CN(C)CCN2C)nc1 275933635 IDUUXPATAKEIAR-LLVKDONJSA-N 308.386 -0.038 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 276299787 SRWBIZCDURQUNS-UHFFFAOYSA-N 309.322 -0.169 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)CCCCCl)C1 400121278 LTDBLFUTURVUJM-SECBINFHSA-N 318.848 -0.041 50 20 DBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)Cn1ccnc1 584951132 VFQNTCIPZNPRTO-JTQLQIEISA-N 305.118 -0.232 50 20 DBGD COCC1(C#N)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584987532 QBKZKPCSONZRFJ-UHFFFAOYSA-N 320.129 -0.102 50 20 DBGD NS(=O)(=O)c1cccc(N2CC[C@@H](B(O)O)C2)c1[N+](=O)[O-] 585078545 GMGJLPDVIFWICW-SSDOTTSWSA-N 315.116 -0.705 50 20 DBGD O=C(O)[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 739453324 FOYDBTRFGGKXPE-VHSKPIJISA-N 306.274 -0.306 50 20 DBGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccs2)nnn1C 741555232 XSUMIFWHONTLLR-UHFFFAOYSA-N 322.350 -0.624 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)COC[C@H]2CCCO2)n1 746385436 DBFGUNUWHNGBQV-GFCCVEGCSA-N 310.354 -0.157 50 20 DBGD O=C(NCCN1CCCS1(=O)=O)NNC(=O)C1CCCC1 747310148 FDCDJAMCIUSVSU-UHFFFAOYSA-N 318.399 -0.458 50 20 DBGD Cn1nncc1C=NNC(=O)c1nn(C)c(=O)c2ccccc12 751129828 ONPLYKLFQPSQCY-UHFFFAOYSA-N 311.305 -0.174 50 20 DBGD C[C@@H](NC(=S)NNC(=O)Cn1ccc(O)nc1=O)C1CC1 751619530 OBQOTTADEFUYJU-SSDOTTSWSA-N 311.367 -0.757 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)o1 752780775 FIGGBFMNDVFUGB-UHFFFAOYSA-N 320.309 -0.657 50 20 DBGD O=C(CO)NNC(=O)Nc1cc(F)cc(N2CCOCC2)c1 756281571 YOSIXTDPYBVCQC-UHFFFAOYSA-N 312.301 -0.193 50 20 DBGD COCC(=O)NNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 756515301 LSPYAWLBVKLGLN-UHFFFAOYSA-N 320.302 -0.728 50 20 DBGD CCOC(=O)c1nn(C)cc1C=NNC(=O)C(=O)NC1CC1 769777632 MFQHBGHAOOEYFQ-UHFFFAOYSA-N 307.310 -0.675 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCNC(=O)[C@H]2C)c1 777573791 WTTDNDHUUNGEJS-LLVKDONJSA-N 304.350 -0.424 50 20 DBGD CC(=O)NN=C1NC(=O)[C@@H](CC(=O)NCC(F)(F)F)S1 777610993 UZHGMVFPWQRUCT-RXMQYKEDSA-N 312.273 -0.306 50 20 DBGD COC(=O)[C@H]1CC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CC1 798111436 FNRJOPRABYXNNY-KYZUINATSA-N 321.337 -0.002 50 20 DBGD CN(C)c1nccc(NNC(=O)COCc2ccnn2C)n1 806901900 PLFWQTIMGJQAKS-UHFFFAOYSA-N 305.342 -0.064 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC1CC1 819132026 WHLLUXGUTPTCKF-LLVKDONJSA-N 310.354 -0.939 50 20 DBGD Cc1nc(S(=O)(=O)NCC(=O)NN(C)C2CC2)cn1C 819646734 DAQARXFFSZKIKT-UHFFFAOYSA-N 301.372 -0.868 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1=O 823906247 WYYVSRCBDXZZTJ-JTQLQIEISA-N 319.321 -0.898 50 20 DBGD N#Cc1ncn(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1 826388265 PMNWFGMZMRBVSX-UHFFFAOYSA-N 310.281 -0.527 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1c[nH]nc1C)C(C)=O 826753234 BDCRZBKJDLQTNG-SECBINFHSA-N 310.310 -0.362 50 20 DBGD O=C(CN1CCN(S(=O)(=O)CCl)CC1)N1CCCC1 829763620 OYEIFDFDOFZRCL-UHFFFAOYSA-N 309.819 -0.248 50 20 DBGD CCCN1C[C@H](C(=O)NNC(=O)N2CCN(C)CC2)CC1=O 839733001 GHPIDPLALVVWTF-LLVKDONJSA-N 311.386 -0.767 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H]([C@H](C)N)C2)cc1 843356528 WQAWYCQAMZTTAF-GXTWGEPZSA-N 320.393 -0.196 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843642772 GRKMRVMQRPQVLX-ZJUUUORDSA-N 306.384 -0.370 50 20 DBGD NS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ncccc2F)C1 854416759 WSEPJHMWERFQMK-MRVPVSSYSA-N 317.346 -0.421 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=S)NCC1CCC1 855088301 XPNDVIOIVIZXMJ-UHFFFAOYSA-N 312.399 -0.373 50 20 DBGD O=C(NNC(=O)C1CCN(c2cnccn2)CC1)c1cc[nH]n1 855358989 AXXTUNVUDSDTKE-UHFFFAOYSA-N 315.337 -0.123 50 20 DBGD CCNC(=O)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CCC1 858393023 OQXQWTWQCOFBPW-UHFFFAOYSA-N 308.342 -0.340 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H](N3CCCCC3)C2)N1 858696560 JSECJELEWRGJNB-VXGBXAGGSA-N 323.397 -0.434 50 20 DBGD O=C1CCc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)ccc2N1 862450440 TVMQDNJEGYWJRC-LLVKDONJSA-N 316.317 -0.389 50 20 DBGD CC1=C(C(=O)NNC(=O)c2cn[nH]c2)[C@H](C)n2ncnc2N1C 862470887 XIDCMTNLXVKHMT-QMMMGPOBSA-N 316.325 -0.253 50 20 DBGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)[C@H]2CCC(=O)N2)C1 863152693 DGPLCGHOXNVNJB-VHSXEESVSA-N 301.368 -0.276 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 863467163 PFZQXLBEGGRQLS-WCFLWFBJSA-N 308.359 -0.236 50 20 DBGD COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 863873184 ACENMEKDZYCTTN-GFCCVEGCSA-N 323.179 -0.513 50 20 DBGD CN(Cc1nc(-c2cccc(B(O)O)c2)no1)C(=O)C1CC1 867055786 OXNLWFIVKNNSOB-UHFFFAOYSA-N 301.111 -0.215 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H](C(F)F)C1 868097607 LYMDZZSRVAJMMX-SNVBAGLBSA-N 303.045 -0.388 50 20 DBGD C[C@@H](CC[S@@](C)=O)NC(=O)c1cc(B(O)O)ccc1F 900877106 CSNDDOQEKQSCNL-FFVOIRBGSA-N 301.148 -0.608 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)cc1OC 914709158 NYNOEPFSIRLRSE-JTQLQIEISA-N 321.333 -0.057 50 20 DBGD Cc1cc(NNC(=O)c2cn(CC(=O)N(C)C)nn2)nc(C)n1 1318731855 SJJCKOHKRATDSA-UHFFFAOYSA-N 318.341 -0.470 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CO[C@@H]1CCOC1 1320005451 LXAQQAPUDQEEKS-SECBINFHSA-N 317.342 -0.536 50 20 DBGD CSC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1320794275 GXTBEJOOWPBWJW-ZETCQYMHSA-N 307.397 -0.601 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 1329882441 ACQXUHILUTXGAN-SSDOTTSWSA-N 302.308 -0.516 50 20 DBGD Cc1noc([C@@H]2CCCN2C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1331534430 UYNSPJCEEJFPDO-BDAKNGLRSA-N 322.325 -0.466 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)OC)nc1 1337858884 QYHBXOBFWLDTKB-UHFFFAOYSA-N 310.310 -0.151 50 20 DBGD C[C@H](O)c1ncc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 1343884093 HKBRJKPNODOUMT-RQJHMYQMSA-N 320.396 -0.416 50 20 DBGD COC(=O)Cc1occc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1351715997 JPVVTEWFUXCNHO-MRVPVSSYSA-N 309.278 -0.965 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCCO2)CO1 1574685885 GRSHTBFLNDGALD-OPRDCNLKSA-N 300.311 -0.417 50 20 DBGD N#Cc1cccc([C@H](NNC(=O)[C@H]2CCC(=O)N2)C(=O)O)c1 1601118428 LBDCXGGUHKTRRH-PWSUYJOCSA-N 302.290 -0.417 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)CC(C)(C)C(=O)O 1604834723 MCTKENYAUWMVOA-YUMQZZPRSA-N 308.356 -0.527 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605463912 QTPXDIHJTLFACZ-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD O=C(O)CCCNC(=S)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1608714934 HUMVAVTYZSLJAQ-IWSPIJDZSA-N 301.368 -0.086 50 20 DBGD O=C(NCc1ccc(N2CCCCC2)nc1)NNC(=O)C(=O)O 1610697267 AXTFELPLYGSKIJ-UHFFFAOYSA-N 321.337 -0.013 50 20 DBGD O=C(NCc1ccnc(OC(F)F)c1)NNC(=O)C(=O)O 1610698806 MRVGCTVCSMSKPA-UHFFFAOYSA-N 304.209 -0.402 50 20 DBGD O=C(NNC(=O)c1cnn(-c2ccccc2)n1)C(=O)NC1CC1 10213599 CKXYIOORLVVIKT-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)OCC(=O)NC(N)=O)cc(C#N)n1C 10956809 GZRYHIIHRKPMHA-XCVCLJGOSA-N 315.289 -0.150 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)COc2cccc(C)c2)C1 276220055 CCUPWLGSGRKWKQ-UHFFFAOYSA-N 305.334 0.000 50 20 DBGD O=C(NCc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCO1 294118412 SQMIAKLCCLXTRO-NSHDSACASA-N 309.297 -0.232 50 20 DBGD C#CCNS(=O)(=O)c1cccc(C(=O)NN(C)C(N)=O)c1 490912524 AGUUSLILNIWFGA-UHFFFAOYSA-N 310.335 -0.747 50 20 DBGD O=C(NC1CCN(CC2CC2)CC1)c1ccc(B(O)O)cc1 584931601 BCVCAXYJXIXYFM-UHFFFAOYSA-N 302.183 -0.029 50 20 DBGD OCCN1CCC(CNCc2ccc(B(O)O)cc2F)CC1 585021469 LHBFPXPKNDHZOL-UHFFFAOYSA-N 310.178 -0.701 50 20 DBGD CC(=O)N1CC[C@@](C)(c2nc(-c3cccc(B(O)O)c3)no2)C1 585053252 JOGPYZJILRJTKU-OAHLLOKOSA-N 315.138 -0.074 50 20 DBGD O=S(=O)(NCB(O)O)c1cc(Br)ccc1F 585055770 IXNGDIJVGIZBTG-UHFFFAOYSA-N 311.925 -0.122 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)o1 740177900 URXPTIPFJBPUQN-UHFFFAOYSA-N 319.295 -0.787 50 20 DBGD O=C(CCCOc1cccnc1)NNC(=O)C(=O)NC1CC1 742488423 JWBSMANTTFIXHN-UHFFFAOYSA-N 306.322 -0.333 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCCNC(=O)C2)c1 744393915 WLGPVPFVYUBODN-UHFFFAOYSA-N 304.350 -0.422 50 20 DBGD Cc1cc(C)n(CCC(=O)NNC(=O)C(=O)N2CCCC2)n1 748241359 XPJAKLYLGQPGNG-UHFFFAOYSA-N 307.354 -0.340 50 20 DBGD CCN1CCc2ccc(NC(=O)C(=O)NNC(=O)COC)cc21 764302249 AKGOZGCXUCWRPW-UHFFFAOYSA-N 320.349 -0.199 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN([C@@H]2CCOC2)CC1 773481839 HWVOSVXVNHLEFB-GFCCVEGCSA-N 312.414 -0.414 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)S(C)(=O)=O 785986689 ZYXNCQDXTBNMTJ-ZETCQYMHSA-N 308.356 -0.701 50 20 DBGD O=C(CO)NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 807195888 NBOGRENIRJVUHF-UHFFFAOYSA-N 324.293 -0.815 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC(=O)NC1 807371082 BMCAURWHGOJUOZ-VIFPVBQESA-N 301.343 -0.551 50 20 DBGD NC(=O)c1cnn2c(C(=O)NNC(=O)CC3CC3)ccnc12 819140434 JCVUPQVUUAGFDY-UHFFFAOYSA-N 302.294 -0.611 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2CNCCCO2)n1 842003029 DOWJYSCJODVYDA-JTQLQIEISA-N 310.358 -0.202 50 20 DBGD N#Cc1ccc(CCNC(=O)NNC(=O)C(=O)NC2CC2)cc1 854294902 PKKBECBOEYOUOU-UHFFFAOYSA-N 315.333 -0.290 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H](c2cncn2C)N(C)C)CC1 854379056 MVFULBKVFLBHRB-GFCCVEGCSA-N 323.401 -0.989 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)nn2c1 855007426 VSVHIROFTMHJIN-IUCAKERBSA-N 304.310 -0.381 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(F)n1)N1C(=O)CCC1=O 856421993 KMIQLQKVIBLCCI-SSDOTTSWSA-N 308.269 -0.481 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)[C@H]1CCC(=O)N1)CCCC2 862457554 LJDMPDXZIAFKBI-SNVBAGLBSA-N 305.338 -0.662 50 20 DBGD CC(C)(CCl)CS(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 867066856 SYNUZQCWFVDDPE-QMMMGPOBSA-N 323.802 -0.183 50 20 DBGD CS(=O)(=O)N1CC(C(=O)NN=c2cc[nH]cc2Cl)C1 907408608 RJHOVNORBKETCY-UHFFFAOYSA-N 304.759 -0.509 50 20 DBGD O=C(CN1CSCCSC1)NNC(=O)c1ccnnc1 911206103 OFIURANQXJKYOZ-UHFFFAOYSA-N 313.408 -0.065 50 20 DBGD CN(NC(=O)c1cnc(C(=O)NN(C)C2CC2)cn1)C1CC1 911294429 BYPVNYYDSWJUAZ-UHFFFAOYSA-N 304.354 -0.045 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)nn1 1116432348 CNZCCBMPZALYHN-SECBINFHSA-N 312.351 -0.711 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 1116711945 IXOQMMDZJOBSMZ-QMMMGPOBSA-N 321.289 -0.879 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(NC(C)=O)nc1 1116841554 LDZCTOKTTXKWSG-UHFFFAOYSA-N 309.282 -0.957 50 20 DBGD Cc1nn(C)c(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1118141284 XCUURWIKLGFVTO-ZJUUUORDSA-N 323.353 -0.452 50 20 DBGD Cc1ncccc1CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 1259178098 CVUMSGCUSHRMKN-SECBINFHSA-N 314.367 -0.982 50 20 DBGD CC(C)C(=O)NNC(=O)COCC(=O)NCc1cccnc1 1318325598 CUXQFKKTHZPGAK-UHFFFAOYSA-N 308.338 -0.482 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NC(C)C)n2nc(C)cc2n1 1321816729 XJLTVGLULNPQEN-UHFFFAOYSA-N 318.337 -0.368 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)Cc2cc[nH]n2)s1 1324734767 XBWWPYLAOSQKIW-UHFFFAOYSA-N 310.339 -0.524 50 20 DBGD O=C(CCc1cncnc1)NNC(=O)CNC(=O)c1ccco1 1327817247 UIPYTIRKFPVYKH-UHFFFAOYSA-N 317.305 -0.420 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 1330145880 NXQUNNOBQWMDPX-UHFFFAOYSA-N 317.305 -0.659 50 20 DBGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C2(O)CNC2)c1 1579666816 XNATXUYBFKMXEU-UHFFFAOYSA-N 321.377 -0.021 50 20 DBGD NC[C@H](O)CC(=O)NNC(=O)c1cccc(OC(F)F)c1 1580231795 HYRLLEWLPVYOMZ-MRVPVSSYSA-N 303.265 -0.241 50 20 DBGD CS(=O)(=O)SCCNC(=O)c1cnc(C(=O)O)cn1 1599762119 KOEVIQPKVDNIRV-UHFFFAOYSA-N 305.337 -0.403 50 20 DBGD COCCNC(=O)/C(C#N)=C/c1nc(-c2nn[nH]n2)cs1 1605106370 VJAGTOXODSTAFB-QPJJXVBHSA-N 305.323 -0.007 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 1609768947 RKHSWHUJBQASOR-BQBZGAKWSA-N 318.330 -0.297 50 20 DBGD O=C(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl)C1CC1 1847517862 VSOHCKALICGTFO-GARJFASQSA-N 314.769 -0.233 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNC(=O)NCc1ccco1 138897521 PMAFHCNPTXWWJX-UHFFFAOYSA-N 315.293 -0.210 50 20 DBGD COCCN(CCO)CC(=O)NNC(=O)c1cccs1 165476607 IGSKBZJXKYSDJT-UHFFFAOYSA-N 301.368 -0.550 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cnn(C)c2)c1 173063112 URQGQAUROXFVSW-UHFFFAOYSA-N 301.306 -0.146 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNc1ccc(Cl)nc1 266701355 WUJYJRXWJLAWBS-UHFFFAOYSA-N 307.763 -0.090 50 20 DBGD Cc1cc(F)cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 273543240 XMHQYXQPIJUQIA-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)c[nH]1 292085117 NAWBDWKSRLITCW-VIFPVBQESA-N 317.323 -0.710 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NNC(=O)CO)C1 375255538 GTDDKVAZWKFHCO-XPTSAGLGSA-N 313.354 -0.227 50 20 DBGD O=C(CO)NNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 378520681 XPTSFHDIZSSCAA-CQSZACIVSA-N 305.334 -0.120 50 20 DBGD C#CCn1ccnc1C=NNC(=O)CNC(=O)c1cccnc1 491504958 JVAHAWZRYVYXNH-UHFFFAOYSA-N 310.317 -0.209 50 20 DBGD CC(C)N1C[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1=O 584995709 QKUPMRAZZFSQSD-SNVBAGLBSA-N 322.145 -0.508 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 727271395 BJTZQMXYJPBGJH-VXNVDRBHSA-N 305.425 -0.285 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)OCC(=O)N3)cn1 735473312 RYBRSUTVAPAQFH-UHFFFAOYSA-N 315.289 -0.174 50 20 DBGD CC[C@@H](C)OCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751696155 BPLABIYUSRLHMB-RKDXNWHRSA-N 307.372 -0.681 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)Cc1cc[nH]n1 755276066 INKKUUYUKQSJKC-UHFFFAOYSA-N 306.326 -0.471 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 757771662 JOTIYSKTERHOTF-BXKDBHETSA-N 306.370 -0.153 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C1CC1)C1CC1 758046766 KBEQOPBWEVHWFB-ZETCQYMHSA-N 303.384 -0.492 50 20 DBGD Cc1cc(C)n(CC(=O)NN=Cc2cn(CC(=O)O)nn2)n1 768484125 XLNGPFHPZVRTIW-UHFFFAOYSA-N 305.298 -0.674 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCO[C@H](C)C1 770351833 LJSMTEYANZHINJ-MXWKQRLJSA-N 303.359 -0.064 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnc(O)c([N+](=O)[O-])c2)n[nH]1 770622077 KDUKOMFIACYXAI-UHFFFAOYSA-N 306.238 -0.198 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](CO)C2)cc1 772775980 FURURMYNUVOGDA-GFCCVEGCSA-N 302.334 -0.367 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)NCC(=O)NCC#N)cc1 807551895 HGUWQHTVBKZHHZ-UHFFFAOYSA-N 319.321 -0.656 50 20 DBGD CON=CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 809559352 OBTNDELCWJJOMQ-UHFFFAOYSA-N 303.278 -0.029 50 20 DBGD CC(=O)N1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 827268863 SROSEDWVCQOIMY-PWSUYJOCSA-N 312.370 -0.294 50 20 DBGD Cc1ccccc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)N1 846063040 OSXWQLXEERUGPZ-SNVBAGLBSA-N 312.351 -0.161 50 20 DBGD CC1=C(C(=O)NNC(=O)NC2CC2)[C@H](C)n2nnnc2N1C 847392537 ZAAMNODTQDZDOO-ZETCQYMHSA-N 306.330 -0.549 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](N2CCOC2=O)C1 852437593 ZBVXQAIHBMUIPT-SNVBAGLBSA-N 312.370 -0.294 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](O)CCSC 854283148 JRRNDLQORZSCEQ-SECBINFHSA-N 309.457 -0.026 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)c1ccccc1F 858405720 OGWOCLGIASNYKI-UHFFFAOYSA-N 313.285 -0.041 50 20 DBGD CCO[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 858750076 KCVSRBNRMNDDTC-ZJUUUORDSA-N 319.383 -0.681 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCCN2C2CCCC2)N1 862457329 GWGQEDHYVGAQLD-VXGBXAGGSA-N 308.382 -0.181 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H](O)c2ccccc2Cl)N1 862457631 MRFNDXIQAREZCZ-MWLCHTKSSA-N 311.725 -0.201 50 20 DBGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)[C@@H]2CCC(=O)N2)C1 863152692 DGPLCGHOXNVNJB-UWVGGRQHSA-N 301.368 -0.276 50 20 DBGD CCN(CCS(C)(=O)=O)C(=O)c1cc(B(O)O)ccc1F 863878649 UZRWGLVKMFJRFA-UHFFFAOYSA-N 317.147 -0.988 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)C2 864231731 RBVBSAXTWPHZSV-USZNOCQGSA-N 308.143 -0.295 50 20 DBGD COC(=O)N1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 865114016 UZHPEZQUGGMCOY-GFCCVEGCSA-N 306.127 -0.673 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CO)N1Cc2ccccc2C1=O 897606751 SRCNOODMAWPOLB-CYBMUJFWSA-N 305.334 -0.193 50 20 DBGD CC(=NNC(=O)C(N)=O)c1ccc(N2CCOCC2)c(F)c1 916274267 JBROCLWEANKYOC-UHFFFAOYSA-N 308.313 -0.012 50 20 DBGD CC(C)SCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885969 OKHMLUFHUKZBGI-MRVPVSSYSA-N 309.413 -0.355 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC(=O)NC[C@@H]1c1ccccc1 933321136 AEYKWTJWKORGKY-CYBMUJFWSA-N 318.377 -0.037 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)c2c[nH]nc2C)s1 1117358073 QNPXPDAAZRNILP-UHFFFAOYSA-N 310.339 -0.144 50 20 DBGD CNC[C@H](C)NC(=O)NNC(=O)c1nnc(O)c2ccccc12 1118548603 OEEWQWZHQIMVIT-QMMMGPOBSA-N 318.337 -0.113 50 20 DBGD O=C1CCc2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)ccc2N1 1118916378 MZKDXTDKROMHEQ-JTQLQIEISA-N 324.167 -0.191 50 20 DBGD C=CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OCC 1118967701 KHGVHDJEARTVLG-LBPRGKRZSA-N 309.102 -0.257 50 20 DBGD O=C(NCc1cn2ccsc2n1)NNC(=O)C(=O)NC1CC1 1319024920 KRKLASXVJDNXTD-UHFFFAOYSA-N 322.350 -0.495 50 20 DBGD CC(C)n1nccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319321807 KTPOXUICEGOSPY-VIFPVBQESA-N 314.367 -0.340 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 1320235285 UNMLYAKDUFNAHO-UHFFFAOYSA-N 322.321 -0.707 50 20 DBGD C[C@H]1CCNC(=O)[C@H]1NC(=O)NNc1nncc(N)c1Cl 1321208659 ANEGEICCZLPEDX-XNCJUZBTSA-N 313.749 -0.137 50 20 DBGD Cc1c[nH]cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)c1=O 1325108560 ROYYWXFDJSGNIY-UHFFFAOYSA-N 315.289 -0.522 50 20 DBGD COc1ccc(C(=O)NNC(=O)Cn2nc(C)n(C)c2=O)cc1 1328999765 NPUAQIRZGBEDLZ-UHFFFAOYSA-N 319.321 -0.640 50 20 DBGD Cc1ccccc1OCCC(=O)NNC(=O)CS(C)(=O)=O 1330168987 SIRKOGAHLSNTQZ-UHFFFAOYSA-N 314.363 -0.044 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2nccnc2c1 1337974425 MYAIJRIQJUUUEB-UHFFFAOYSA-N 317.305 -0.248 50 20 DBGD Cc1nnc(NNC(=O)COc2c(C)nn(C)c2C)nc1O 1340293943 LJWBHEQFKJJHEL-UHFFFAOYSA-N 307.314 -0.242 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCN3CCC[C@@H]3C2)N1 1351352973 NTMKCDQOGALSHL-HBNTYKKESA-N 309.370 -0.778 50 20 DBGD Cc1ccc(SCC(=O)NNC(=O)[C@@H](N)CCC(N)=O)cc1 1574156990 WSGAYLWHMMSXEV-NSHDSACASA-N 324.406 -0.173 50 20 DBGD C[C@H](C(=O)NNc1cc(C#N)cc(Cl)n1)N1CCNCC1=O 1575072324 UBSBJSARILCQLI-MRVPVSSYSA-N 322.756 -0.130 50 20 DBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)CCCc1cnn[nH]1 1577689143 SCYQNPPQYRSKOW-UHFFFAOYSA-N 322.285 -0.770 50 20 DBGD CCOC(=O)N1CSC[C@H]1C(=O)NNC(=O)CCCN 1577991697 MCNXAAQPUYJLMF-QMMMGPOBSA-N 304.372 -0.596 50 20 DBGD CNC(=O)NNC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CC1 1591211736 AEOOZXAWADPJQO-UHFFFAOYSA-N 301.310 -0.142 50 20 DBGD Cn1ccnc1CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592585992 SGHYAADPFUJOGC-UHFFFAOYSA-N 314.313 -0.179 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1=O 1604870167 NATJOBXRRIPOCP-SNVBAGLBSA-N 317.309 -0.833 50 20 DBGD CS(=O)(=O)CCNC(=O)NNc1ccc(CC(=O)O)cc1 1607371013 ZWOVPRWNVVAKSL-UHFFFAOYSA-N 315.351 -0.016 50 20 DBGD CCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1842634629 QLFKRDFYTOTPLA-UHFFFAOYSA-N 316.166 -0.407 50 20 DBGD Cc1nc(C)c(S(=O)(=O)NNC(=O)N2CCOCC2)s1 267496340 HQQVPKZLOVDFLG-UHFFFAOYSA-N 320.396 -0.005 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1 275929911 RCYKUGIILOVRML-UHFFFAOYSA-N 300.340 -0.820 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCC(=O)N2)cc1 282842747 PRQUSNXRLQSHPB-NSHDSACASA-N 318.333 -0.250 50 20 DBGD O=C(CN(CCO)C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 297908359 PIMLVPTZSHIVLM-UHFFFAOYSA-N 322.321 -0.188 50 20 DBGD COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)CN(C)C)C2 363407559 ZUUVDRLWYPYFPM-LLVKDONJSA-N 307.350 -0.045 50 20 DBGD C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(B(O)O)c1)CS2 404919798 SYPLMIOACCAOPT-FZMZJTMJSA-N 320.179 -0.241 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)COc1ccccc1O 491264143 DWHLFJQITRXIDZ-UHFFFAOYSA-N 311.294 -0.336 50 20 DBGD COC[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)O1 584979478 VGDDGZUJVQMPFK-KOLCDFICSA-N 311.118 -0.619 50 20 DBGD O=C(NCc1nc(C2CC2)n[nH]1)c1ccc(B(O)O)c(F)c1 584994726 DQYLFNXAGQRVOA-UHFFFAOYSA-N 304.090 -0.569 50 20 DBGD C[C@H](NCc1ccc(B(O)O)cc1F)[C@H](C)N1CCOCC1 585024474 WGNGDPLZXWNYKZ-RYUDHWBXSA-N 310.178 -0.296 50 20 DBGD CS(=O)(=O)N1CCCc2cc(C(=O)NCB(O)O)ccc21 585058387 ZDMOYJAVZIZLMA-UHFFFAOYSA-N 312.156 -0.859 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 732083564 YNXNFBMFQGZFFI-JTQLQIEISA-N 307.354 -0.016 50 20 DBGD CCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)CO 753440174 XURGITZNFGGFQI-UHFFFAOYSA-N 300.336 -0.594 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)C(C)(C)CN(C)C 754380234 VBRRBHRPNCENDR-SECBINFHSA-N 313.402 -0.428 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(-n2cnnn2)c(C)c1 755682414 YEEMSXOGVPXJTE-UHFFFAOYSA-N 305.298 -0.230 50 20 DBGD COC(=O)c1coc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 758101434 XMUVRYPRDYBWAH-QMMMGPOBSA-N 314.319 -0.049 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@]1(O)CCSC1 778438327 UHNGRADDZFPHBV-LBPRGKRZSA-N 319.383 -0.474 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(-c2cnn(C)c2)nn1 788785603 IOGCEUVNTISAND-UHFFFAOYSA-N 305.298 -0.324 50 20 DBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 800328619 QYSWARSLLOQWDG-JLIMGVALSA-N 319.383 -0.683 50 20 DBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 807381280 MJPJBMGHQGMMNC-NSHDSACASA-N 311.386 -0.767 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCSC1 810345862 TYTZBGBPMIJLTG-HTQZYQBOSA-N 309.413 -0.785 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)n1 823812932 RNFNPLBRHQPYLM-CHWSQXEVSA-N 323.397 -0.162 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)n1 823906294 XVZVFPPJTNXNLK-QMMMGPOBSA-N 322.325 -0.433 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](CO)[C@@H]1CCCOC1 827258901 GAQLWSKGEMSIEG-USZNOCQGSA-N 315.370 -0.471 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1 831858316 RXQXMEUOLJSLQN-UHFFFAOYSA-N 302.264 -0.588 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 843649881 YBWVFGOJVGUPRB-WCBMZHEXSA-N 306.322 -0.373 50 20 DBGD COC(=O)COCCNC(=O)NNc1nc(C)cc(OC)n1 858833783 QRCJXVVGEKVTDF-UHFFFAOYSA-N 313.314 -0.391 50 20 DBGD Cc1nn(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c1Cl 862452777 ODZGJYIFTMGESF-MRVPVSSYSA-N 313.745 -0.421 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1Cl 862463174 ZJBIWJWBZJHTLH-ZETCQYMHSA-N 307.697 -0.354 50 20 DBGD CCOC(=O)[C@@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 863870083 XWDSCIXNGYBTBX-LBPRGKRZSA-N 323.179 -0.513 50 20 DBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 898079838 QKJLOICWZRUNAX-UKKRHICBSA-N 301.343 -0.454 50 20 DBGD N#Cc1nc(N)n(CC(=O)NNC(=O)c2ccccc2)c1C#N 914684336 AIPPCYHRXFJFMC-UHFFFAOYSA-N 309.289 -0.330 50 20 DBGD Cc1nc(CC(=O)NNC(=S)NCC(=O)N(C)C)cs1 918716823 CXHQPOFREDHJEH-UHFFFAOYSA-N 315.424 -0.422 50 20 DBGD CO[C@@H]1CCOC[C@H]1NCC(=O)NNC(=O)c1ccccc1 934041530 IJBSBZKWYJQQFR-CHWSQXEVSA-N 307.350 -0.159 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 1116711944 IXOQMMDZJOBSMZ-MRVPVSSYSA-N 321.289 -0.879 50 20 DBGD Cc1n[nH]c(C)c1CCC(=O)NNC(=O)CS(C)(=O)=O 1118895262 MRNQQJWRTBTBES-UHFFFAOYSA-N 302.356 -0.849 50 20 DBGD O=C(NC[C@H]1CCS(=O)(=O)C1)NNC(=O)C1CCCC1 1320935343 SKCXFFOKGUBZTQ-SECBINFHSA-N 303.384 -0.058 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)C(=O)NCC(F)F 1321198143 WGQCJODMEWWSPQ-UHFFFAOYSA-N 321.305 -0.086 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccn1 1322253100 WIVGMHTVRHQEEA-UHFFFAOYSA-N 320.305 -0.748 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCc2ccccc2NC1=O 1327608367 QFQVYMUOTPFBGA-JTQLQIEISA-N 320.305 -0.557 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cn[nH]c3)CC[C@@H]2N1 1329193942 SGWVKUBLNUHRDP-SCZZXKLOSA-N 306.326 -0.635 50 20 DBGD O=C1C[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)CCN1 1341111288 JOJRQDCRQGZENX-SNVBAGLBSA-N 320.353 -0.718 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H](C)c2nnnn2C)n1 1341933973 JEDAJGJTXVFDGE-MRVPVSSYSA-N 304.314 -0.381 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1349077215 SWRNKSQRZYITOP-HOSYDEDBSA-N 324.381 -0.247 50 20 DBGD O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)NC1CCNCC1 1580736239 PJOFGTDTXBPYLR-SNVBAGLBSA-N 306.370 -0.472 50 20 DBGD C#CCO[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1588357539 NIQSDBMYWMUXBP-SECBINFHSA-N 314.305 -0.334 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1589327351 UJNKDXSJDKCLAQ-UHFFFAOYSA-N 319.325 -0.803 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1 1601635953 RIZDNEZDMDGNMV-VIFPVBQESA-N 321.289 -0.639 50 20 DBGD O=C(O)Cc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1608784197 TVPLBXSSSBJMFP-UHFFFAOYSA-N 305.290 -0.647 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1COCCO1 266656573 BKHDPACBPZUBJT-QMMMGPOBSA-N 303.315 -0.926 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 270084984 NPNMGBGTFIPNMN-AWEZNQCLSA-N 309.322 -0.292 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2cccc(OC)n2)nn1 273029130 SMMXUHWIFPDOTB-UHFFFAOYSA-N 306.282 -0.388 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)[C@@H]1OC 275075854 MBFYGVSWRVACLA-AXFHLTTASA-N 311.342 -0.444 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cn1 294000718 VCOCSQHUUNVBHH-KWQFWETISA-N 306.322 -0.230 50 20 DBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@H](C)CS(C)(=O)=O 584944985 NYAGPANZZDGAJT-SNVBAGLBSA-N 313.184 -0.738 50 20 DBGD Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(B(O)O)c(F)c1 584960108 HGOVFKBBYGWRSI-LBPRGKRZSA-N 318.117 -0.330 50 20 DBGD CC(=O)N1CCC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584986324 ZVNHRUFHTHIPJB-LLVKDONJSA-N 322.145 -0.506 50 20 DBGD CC(C)(CN1CCOCC1)NC(=O)c1ccc(B(O)O)c(F)c1 585002135 NMLIIKFDNBEFQY-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)NC1CCCCC1 735269767 JASWINSLCLIIEK-UHFFFAOYSA-N 311.342 -0.409 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCC(=O)N2)o1 735939157 KIIIQSLCFJBSIE-LURJTMIESA-N 320.313 -0.300 50 20 DBGD CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cnn(C)c1 741809425 FWRYRVALIXIVGZ-QMMMGPOBSA-N 301.372 -0.412 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=S)NCC(=O)NC(C)C 748607063 NBIPGBYSEPYKSH-VIFPVBQESA-N 320.415 -0.942 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1C(=O)Nc2ccccc21 748699640 SEYYNFJUTCAWDY-JTQLQIEISA-N 318.333 -0.216 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(=O)NC2 748828933 QLRNKOMABNRIJL-WOPDTQHZSA-N 310.398 -0.079 50 20 DBGD C[C@H](Sc1ccccn1)C(=O)NNC(=O)C(=O)NC1CC1 754220413 YJRXCOFYZXXROM-QMMMGPOBSA-N 308.363 -0.012 50 20 DBGD O=C(CN1C[C@@H](CO)Oc2ccccc21)NNC(=O)C1CC1 759747092 CSRQGJWVGWAENS-NSHDSACASA-N 305.334 -0.196 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)[C@@]1(CO)CCOC1 763892251 CYKVJDFNXSWRFL-OAHLLOKOSA-N 307.350 -0.469 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cncc2ccccc12 764299714 LKTCMMZAYRIVTD-UHFFFAOYSA-N 302.290 -0.033 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 764302798 INZMWLKYNWPAOF-UHFFFAOYSA-N 322.321 -0.753 50 20 DBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)N1CCN(C)CC1 788167113 VETQQJGCOHHWIF-NWDGAFQWSA-N 314.386 -0.441 50 20 DBGD CN1CCC[C@H](NC(=O)NNc2nc3ccccn3n2)C1=O 790418592 WUOQJOUHUWCGFB-VIFPVBQESA-N 303.326 -0.024 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)c2cnccn2)nn1 799231683 RRVOYQASUWNFJA-UHFFFAOYSA-N 317.265 -0.480 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccccc2)c(=O)n(C)c1=O 801989992 QPTQMAWVNHFIIE-UHFFFAOYSA-N 317.305 -0.450 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(=O)N1CCC(C)CC1 805568650 WKDFNQIZTQMNMA-JTQLQIEISA-N 313.354 -0.266 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CCn1ncn(C)c1=O 815820248 GZZPNXXHNIQNJH-UHFFFAOYSA-N 317.349 -0.330 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCO[C@@H](CC(=O)O)C1 826134971 MMTGYRQKRRSISK-VIFPVBQESA-N 301.343 -0.645 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(=O)n1C 826640108 UMQODHHBQLAOJZ-ZYHUDNBSSA-N 322.365 -0.051 50 20 DBGD CC(CNS(=O)(=O)CCl)CNS(=O)(=O)CCl 831637903 XEBGIEDGIRLPJS-UHFFFAOYSA-N 313.228 -0.146 50 20 DBGD N#Cc1cccc([C@@H](NNC(=O)[C@H]2COCCO2)C(=O)O)c1 833075891 OBELDMLBUZGXFR-VXGBXAGGSA-N 305.290 -0.280 50 20 DBGD COCCN(C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 837621934 CHJIIKJXKMWSCC-JTQLQIEISA-N 312.370 -0.151 50 20 DBGD Cc1c(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1C 842589934 LTTVAZBUWSDAML-BDAKNGLRSA-N 302.356 -0.537 50 20 DBGD CNC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 843774237 PYOZAUPJSUGVSS-UHFFFAOYSA-N 314.367 -0.458 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 846709296 CALJHTXWFKBKST-UHFFFAOYSA-N 301.306 -0.313 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nccc2[nH]ccc12 854295249 YHAYYRMVJQBZPB-QMMMGPOBSA-N 322.346 -0.241 50 20 DBGD CN1CCN(CC(=O)NNC(=S)NCC2CCC2)CC1=O 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DBGD O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc(B(O)O)ccc1F 584970195 MGHGZRZOMOMCBZ-NHYWBVRUSA-N 323.129 -0.427 50 20 DBGD Cc1nnc(CNC(=O)c2cc(B(O)O)ccc2F)n1C1CC1 584970420 BODZAEVUSBNVFC-UHFFFAOYSA-N 318.117 -0.330 50 20 DBGD C[C@H](O)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)C1 584973749 GCUKZLSDOKINJA-MNOVXSKESA-N 324.161 -0.967 50 20 DBGD CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584976481 RKKFVVHYLIEHGZ-STQMWFEESA-N 311.118 -0.571 50 20 DBGD C[C@@H]1NC(=O)CC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 585002279 SAXWMDKSDXYKIF-IUCAKERBSA-N 308.118 -0.850 50 20 DBGD CN(C)C1CCN(C(C)(C)CNCc2ccc(B(O)O)o2)CC1 585020932 CKCXUAGKFJJVAM-UHFFFAOYSA-N 323.246 -0.146 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)CCN1CC(F)(F)F 585023412 HRQSHLHMXZXMNM-QMMMGPOBSA-N 306.049 -0.788 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@H]1CCCO1 729275523 PCFKSUUTYZRKQF-RKDXNWHRSA-N 307.372 -0.969 50 20 DBGD CCN1CCCC[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 729303546 SUCFVTVWRCUZDZ-QWRGUYRKSA-N 317.411 -0.557 50 20 DBGD O=C(NNc1cccnn1)C1=CC=CN2CCS(=O)(=O)N=C12 736698092 VEOQEOLDELNRNN-UHFFFAOYSA-N 320.334 -0.583 50 20 DBGD CC(C)(C)c1nnc(SCC(=O)NNC(=O)C2CC2)n1N 742450242 USKOSLKHQLLJTF-UHFFFAOYSA-N 312.399 -0.061 50 20 DBGD CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CO 753438484 DXNRAHHYWBOEOR-MRVPVSSYSA-N 303.384 -0.536 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)Cc3ccncc3)cnc21 754327832 VLFBDXKQIMPVLV-UHFFFAOYSA-N 311.305 -0.238 50 20 DBGD COCCOCC(C)=NNC(=O)CNC(=O)c1cccnc1 763196000 QKSKBOWMJJULPC-UHFFFAOYSA-N 308.338 -0.034 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 764187767 QLKVFMUFTAHQJT-UHFFFAOYSA-N 321.249 -0.137 50 20 DBGD CN1CCN(C(=O)NNC(=O)COCc2cccnc2)CC1 807379873 HNQMRTBUCJDQFR-UHFFFAOYSA-N 307.354 -0.414 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn(C)c2C(F)F)CC1 807382365 BCCCXBPZGBCSMN-UHFFFAOYSA-N 316.312 -0.041 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)NC1CCCC1 825815087 XRBVAJGZJAIDCC-GXSJLCMTSA-N 312.370 -0.199 50 20 DBGD N#CSCCCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 854360682 WNFLZNDESDYAGQ-VIFPVBQESA-N 306.413 -0.378 50 20 DBGD N#Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 858525604 ZEPKWPMRPIEVIB-NSHDSACASA-N 319.296 -0.194 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H](O)c2ccc(F)cc2)N1 858694483 POKHTOBPWBCGJR-QWRGUYRKSA-N 324.312 -0.532 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCCCO1 861852880 LMSJKRXTOAWNST-DTWKUNHWSA-N 318.399 -0.507 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc([N+](=O)[O-])c1 862452186 CUZDLWFLTLPKMB-JTQLQIEISA-N 306.278 -0.057 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccnn1C1CCCC1 863462056 DSUBTUVWDOPHLI-UHFFFAOYSA-N 314.367 -0.196 50 20 DBGD COCCOCC(=O)NNC(=O)C[C@@H](OC)C(F)(F)F 869903416 ROWZSCTYRODRFJ-SSDOTTSWSA-N 302.249 -0.236 50 20 DBGD Cn1nnnc1SCCC(=O)NNC(=S)NC(C)(C)C 899992410 WFVJXNXVPFYBKH-UHFFFAOYSA-N 317.444 -0.014 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCC(=O)N1C 908069511 UXGAHQHSSPIFSW-JTQLQIEISA-N 315.370 -0.066 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NN(C)C[C@@H](C)O)C1 910182081 HPOIZCXMMGYJRU-NEPJUHHUSA-N 301.387 -0.395 50 20 DBGD C[C@H](O)CN(C)NC(=O)Cn1ccc(Br)cc1=O 910182950 KGHFPBUCRJNNJU-QMMMGPOBSA-N 318.171 -0.045 50 20 DBGD CCN1C[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 914717273 HOGFRBLINSSMKQ-MNOVXSKESA-N 317.411 -0.653 50 20 DBGD COCc1csc(CNC(=O)NNC(=O)C(=O)OC)c1 1118554938 RBGDCXJNWJPEIU-UHFFFAOYSA-N 301.324 -0.102 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=S)Nc1ccccn1 1123976437 YPPDVKSFCKUFTH-GHMZBOCLSA-N 320.422 -0.213 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)nc1 1320521510 ZTQDBWUCBKFBSV-JTQLQIEISA-N 324.337 -0.473 50 20 DBGD O=C(CN1CCCC1=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1323037698 AATBQTGCWQWPNJ-UHFFFAOYSA-N 321.337 -0.767 50 20 DBGD CC(=O)CSCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1324129711 XQGYGAOHQCMZOS-JTQLQIEISA-N 308.425 -0.199 50 20 DBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326012714 HYWRVVNIFRDEHH-DTWKUNHWSA-N 300.359 -0.486 50 20 DBGD O=C1N[C@H]2CN(C(=O)NNC(=O)c3ncccn3)CC[C@@H]2CO1 1326015421 FADHWESSBWQFCJ-BDAKNGLRSA-N 320.309 -0.739 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 1326090050 SJWXKFXIKUIICJ-SSDOTTSWSA-N 323.309 -0.887 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC[C@]2(O)CCCOC2)cn1 1326606384 JCITYDRSWWWTEB-CYBMUJFWSA-N 311.342 -0.704 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 1327251099 LQAIAVURKUUHKG-JTQLQIEISA-N 313.335 -0.852 50 20 DBGD COCC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOCC1 1327656978 IPNCRBCGDBJLPD-UHFFFAOYSA-N 313.354 -0.801 50 20 DBGD O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)N[C@@H]1CCS(=O)(=O)C1 1330998729 SPPIKJWTRIDOHG-IWSPIJDZSA-N 301.368 -0.450 50 20 DBGD CC(=O)c1ncc(C(=O)NNC(=O)CS(C)(=O)=O)s1 1331833494 IZRUKGJKKHHWKM-UHFFFAOYSA-N 305.337 -0.849 50 20 DBGD CCCNC(=O)[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1 1341182667 IZRHTHSKBFFJJB-SNVBAGLBSA-N 307.354 -0.131 50 20 DBGD COc1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)CCO 1343520828 NXYUDDJKIMDVCZ-UHFFFAOYSA-N 317.248 -0.558 50 20 DBGD CC(C)C(=O)NCCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1345734105 XGHKJNODRBFTIN-MNOVXSKESA-N 314.386 -0.096 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CC[C@H]1C(=O)O 1593994801 SBMYNQKPBVDKQJ-RKDXNWHRSA-N 303.384 -0.029 50 20 DBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)c2cnsn2)CO1 1595007091 YJRFWJWVODKIAZ-BQBZGAKWSA-N 314.323 -0.431 50 20 DBGD O=C(O)[C@@]12COC[C@@H]1CN(S(=O)(=O)CBr)C2 1595192051 CAPVNFWWQWBBCU-XPUUQOCRSA-N 314.157 -0.298 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2cccc(C(=O)O)n2)n[nH]1 1600187004 FRTZMZOJXPBCBW-UHFFFAOYSA-N 303.278 -0.185 50 20 DBGD CN(C)c1cc(C(=O)NNc2nc[nH]n2)cc(-c2nn[nH]n2)c1 1604698774 SHOXDFYBJXRNPB-UHFFFAOYSA-N 314.313 -0.192 50 20 DBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 1604879031 YUQHNVTZJHESQQ-OUAUKWLOSA-N 315.370 -0.256 50 20 DBGD CC[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841278429 NUJJQPDFMVFYTF-UWVGGRQHSA-N 304.774 -0.440 50 20 DBGD CCNC(=S)NNC(=O)Cn1nnc(-c2ccccc2)n1 7527897 LPRXQVBFMMLBCT-UHFFFAOYSA-N 305.367 -0.145 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 24257320 WACDEIUUNSVMLT-UHFFFAOYSA-N 301.280 -0.433 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1c(C)nc2ccccn12 25401647 BEKXARCNXJKEHQ-VIFPVBQESA-N 303.322 -0.072 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H](C)S(C)(=O)=O 67434189 RPYLDQRLHDPMEJ-QMMMGPOBSA-N 300.336 -0.111 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 109830075 MEELAWVXIOPKHO-NSHDSACASA-N 322.365 -0.017 50 20 DBGD COc1cc2c(cc1OC)=C(NNC(=O)NCC1CC1)C(=O)N=2 144074668 VZKOJWBPTXSSRG-UHFFFAOYSA-N 318.333 -0.814 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)[nH]n1 151188046 VEHLBKJAKIOMMX-UHFFFAOYSA-N 314.305 -0.027 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc(=O)[nH]c2cc(F)ccc12 155130187 GGAJCRDUNOHIAZ-UHFFFAOYSA-N 306.297 -0.010 50 20 DBGD O=C(CN1Cc2ccccc2C1=O)NNC(=O)C(=O)NC1CC1 264345321 ZOTFWKOBCCDVBM-UHFFFAOYSA-N 316.317 -0.932 50 20 DBGD C=C(C)[C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)OCC 273367868 DNTUFSLJSRMDFS-UWVGGRQHSA-N 321.399 -0.557 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1=CCCCC1 273515625 RRDSHPCOIZDROC-SECBINFHSA-N 303.384 -0.038 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)c1cccs1 273552760 ZAWXEHBEXIPLRH-YUMQZZPRSA-N 319.408 -0.063 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c1 276674041 VCPZXDYQOMNNBU-RYUDHWBXSA-N 320.349 -0.454 50 20 DBGD COC(=O)COc1cccc(C(=O)NNC(=O)C(C)(C)O)c1 277893008 FTZNAYLJBJKNEW-UHFFFAOYSA-N 310.306 -0.230 50 20 DBGD NC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1 292183407 QRNOPWYKPUPAOM-NEPJUHHUSA-N 320.349 -0.408 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)NC1CC1 299237836 IPUCTSRXWOVGCF-LDDIKCJXSA-N 318.333 -0.714 50 20 DBGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)CO)C1 496477284 SLBJGGJSYJXKPD-VIFPVBQESA-N 317.342 -0.848 50 20 DBGD COCCN(C)NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 497294713 DJGNWBDSKFXMQY-UHFFFAOYSA-N 303.359 -0.422 50 20 DBGD CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584940216 RRAHZNKCMIOUKN-LBPRGKRZSA-N 304.155 -0.645 50 20 DBGD O=C(NCCCOC1CCOCC1)c1ccc(B(O)O)cc1 584951264 NKCJBOGNQNVBIU-UHFFFAOYSA-N 307.155 -0.318 50 20 DBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584968126 IFDPINKLYAWWIC-CABZTGNLSA-N 308.118 -0.850 50 20 DBGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NCB(O)O)C2=O 585058952 VAAFQLVRMMIWMD-UHFFFAOYSA-N 311.147 -0.995 50 20 DBGD Cn1c(=O)n(CC(=O)N2CC[C@@H](B(O)O)C2)c2ccccc21 585068988 JYXBKJYZSLGVEW-SNVBAGLBSA-N 303.127 -0.585 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H](C)N1CCOCC1 735581935 STZQZIWHGUDVMO-WDEREUQCSA-N 324.385 -0.527 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)CC(=O)NC2CC2)cc1 743250301 HYQGNELEVXHWLW-UHFFFAOYSA-N 318.377 -0.034 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N1CCN(S(C)(=O)=O)CC1 743598144 IKDWXMZSERLWHE-UHFFFAOYSA-N 306.388 -0.650 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 749563741 QJNDVWKYXNVOCS-NSHDSACASA-N 324.381 -0.693 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)[C@@]1(CO)CCOC1 763893237 QSFWOYMCRIYCGJ-CYBMUJFWSA-N 313.379 -0.408 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(N2CCOCC2)cn1 772403118 FPXYKTGTAGZMOI-UHFFFAOYSA-N 309.326 -0.283 50 20 DBGD Cn1cc([C@@H](O)C(=O)NNC(=O)COc2ccc(F)cc2)cn1 785691032 ORRPORGERNJIHO-CYBMUJFWSA-N 322.296 -0.181 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCc2ccccc2C(N)=O)cn1 791599078 OIGJKGYZSQAAFC-UHFFFAOYSA-N 315.333 -0.087 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](CC(N)=O)C2)c1 808774956 HNSXPGNEAWZRQX-GFCCVEGCSA-N 318.377 -0.047 50 20 DBGD COc1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)CO 810390536 VODGIKCCAWVKKO-UHFFFAOYSA-N 303.221 -0.948 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)Cc2cc[nH]n2)nn1 814954796 OGURTDBVWIIKFF-UHFFFAOYSA-N 305.298 -0.743 50 20 DBGD Cn1nncc1NNC(=O)CNC(=O)c1cc(F)cc(F)c1 816770194 NDNJLBCQDOPXLL-UHFFFAOYSA-N 310.264 -0.034 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)[C@@H]1COCCO1)C(=O)O 818627131 OBGMTTJXLWIWFQ-VIFPVBQESA-N 317.342 -0.377 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](O)C2CC2)c1 821798026 WKQMDVOSNROPMH-NSHDSACASA-N 312.347 -0.378 50 20 DBGD O=C(NNC(=O)c1ncccn1)c1cccc(-c2nn[nH]n2)c1 823277761 WGBSARCUNYQNAQ-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD N#Cc1cccc(NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c1 830766756 OTWAMQSMOPGFPN-LLVKDONJSA-N 323.378 -0.083 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCNC(=O)c1ccco1 843648977 RTCONCSULDSION-NXEZZACHSA-N 309.322 -0.028 50 20 DBGD CC(C)[C@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(=O)O 848591310 BDEZOEKJHVIUDX-JOYOIKCWSA-N 321.399 -0.276 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(N2CCOCC2)ccn1 854927995 LNSKTCHJYCLOKC-UHFFFAOYSA-N 309.395 -0.001 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NN(C)C(=S)NC)C1=O 854929221 BLIHWMCSFHHMGC-UHFFFAOYSA-N 315.399 -0.436 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=S)NCC1CCC1 855091677 ZKOYIWWJRKKPOP-UHFFFAOYSA-N 322.456 -0.390 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855829367 UDIVFEIBYDLLBH-SNVBAGLBSA-N 317.386 -0.262 50 20 DBGD C=C(C)CN1CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858199649 OFSIBHREJCYYKR-LBPRGKRZSA-N 323.397 -0.364 50 20 DBGD CC[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](CC)O1 858702510 LUAJPLCRIXMCMI-AXFHLTTASA-N 312.370 -0.105 50 20 DBGD CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454938 LGCKVEWPCWOSAN-WDEREUQCSA-N 324.381 -0.406 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCN2C2CCCC2)N1 862457328 GWGQEDHYVGAQLD-RYUDHWBXSA-N 308.382 -0.181 50 20 DBGD CCOC(=O)/C(C#N)=C\NCCCN1CCCS1(=O)=O 864349363 NHBUGYSFNQUSOH-KHPPLWFESA-N 301.368 -0.028 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 869910059 CHPSPPNOAROWQS-LLVKDONJSA-N 315.370 -0.699 50 20 DBGD O=C(NN=Cc1ccc(O)c(O)c1)N[C@H]1CCS(=O)(=O)C1 920382073 WQGRNRQOPQWDAR-VIFPVBQESA-N 313.335 -0.082 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cc2c(cc1O)OCO2 920432520 BFHGRTGJCAJHJF-UHFFFAOYSA-N 321.289 -0.496 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)NC1CCCCC1 1115812499 QBHWRAGBLCUHLL-VIFPVBQESA-N 311.342 -0.362 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)Cc1ccccc1OC 1115894323 BUTYTHAHBBLMLG-UHFFFAOYSA-N 323.349 -0.462 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2CCCCS2(=O)=O)c1=O 1116679991 YXNZSAIDFSUBNW-MRVPVSSYSA-N 300.340 -0.809 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=S)NCc1ccon1 1253071934 SDQLOAFHTQDYIU-QMMMGPOBSA-N 302.356 -0.279 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2CC[C@H](N)C2)C[C@H]1Br 1261772292 UVRQCBSSYQBTND-VAOFZXAKSA-N 304.188 -0.164 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NNc2cnnn2C)c1 1261772867 MEUBVTVIDRUIFK-UHFFFAOYSA-N 324.366 -0.130 50 20 DBGD Cn1nccc1CCNC(=O)NNC(=O)Cc1cccnc1 1323927773 DTSAUZWXHRSHDP-UHFFFAOYSA-N 302.338 -0.069 50 20 DBGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNc2ncccn2)C1 1324382108 ZCMRPJNTJHAFMN-SECBINFHSA-N 314.371 -0.616 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccnc(OCCO)c1 1327210723 UFZMXHSNHZYALE-UHFFFAOYSA-N 312.282 -0.832 50 20 DBGD CC(C)NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 1347622935 SFAMFBCZPGAUEQ-UHFFFAOYSA-N 319.321 -0.279 50 20 DBGD CC(C)C[C@@]1(C(=O)NNC(=O)C2CCNCC2)CCNC1=O 1575549144 FUPVGPYQBBAWNT-HNNXBMFYSA-N 310.398 -0.314 50 20 DBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1593927003 RXOZSGRPQLGLRK-IINYFYTJSA-N 324.289 -0.537 50 20 DBGD O=C(O)Cc1ccccc1NC(=O)C(=O)NNC(=O)C1CC1 1595138067 HWFSGKLPOUDNPT-UHFFFAOYSA-N 305.290 -0.190 50 20 DBGD O=C(O)CCS(=O)(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 1608732672 FLDGDOMCQHRHBX-JTQLQIEISA-N 314.319 -0.585 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)Cc1ccccc1 109859052 PBSICISJAALNAG-UHFFFAOYSA-N 315.333 -0.162 50 20 DBGD Cc1nn(C)cc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 172155993 LQAKMEOVDOLESA-GHMZBOCLSA-N 323.397 -0.011 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 263729343 TULHKCSSXAFJMG-SECBINFHSA-N 310.310 -0.529 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)C1CCCCC1 263812384 NMNDEUIQLVQMNA-UHFFFAOYSA-N 312.370 -0.645 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCC(=O)c1ccccn1 274435688 FVVPRJHAYAPXEM-UHFFFAOYSA-N 306.322 -0.284 50 20 DBGD COc1ccc(NNC(=O)NCCCN2C(=O)CNC2=O)nc1 275924542 GWHWZDSOVJOPHM-UHFFFAOYSA-N 322.325 -0.342 50 20 DBGD COC(=O)N(C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 286482433 VILJEDXARMKLOA-OINDSLJFSA-N 307.306 -0.477 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NCCn2ncnn2)cc(C#N)n1C 490752448 BWKFLVZRWPKGKX-LFYBBSHMSA-N 310.321 -0.085 50 20 DBGD CC(C)NC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584943914 XGPUKZLEGMRYPG-UHFFFAOYSA-N 319.170 -0.758 50 20 DBGD C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cccc(B(O)O)c1 584982957 NSHXLULKAHSDMQ-SNVBAGLBSA-N 311.168 -0.984 50 20 DBGD Cn1cncc1[C@@H]1C[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584997172 XBOZQWBIYLTGHC-BXKDBHETSA-N 303.102 -0.475 50 20 DBGD COCCN(CCNCc1ccc(B(O)O)cc1F)C1CC1 585020293 RPPHNPVAUDOPDV-UHFFFAOYSA-N 310.178 -0.294 50 20 DBGD CC(C)(C(=O)NNC(=O)c1cnn[nH]1)n1cc([N+](=O)[O-])cn1 729458119 HREKRCQPUQHGSQ-UHFFFAOYSA-N 308.258 -0.894 50 20 DBGD CCc1ccccc1OCC(=O)NNC(=O)C1=NNC(=O)C1 732264573 FJPKFEJDDNPDEQ-UHFFFAOYSA-N 304.306 -0.349 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1=COCC1 738137709 YLHBECLNMIOQTC-UHFFFAOYSA-N 300.278 -0.068 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccc(O)cc1 758046375 RXDNKAXCJDRILH-MRVPVSSYSA-N 315.351 -0.980 50 20 DBGD Cc1coc(-c2cccc(NC(=O)C(=O)NNC(=O)CO)c2)n1 764420512 CCJLPGCAJUMMEV-UHFFFAOYSA-N 318.289 -0.272 50 20 DBGD COC(=O)COc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1 768243105 DQINVSQXSBRTFI-UHFFFAOYSA-N 310.306 -0.230 50 20 DBGD N#Cc1ncn(CC(=O)NNC(=O)Cc2ccccc2F)n1 769194850 SOHYPFSUXJXVES-UHFFFAOYSA-N 302.269 -0.321 50 20 DBGD COC(=O)CCCNC(=O)NNc1nc(O)c2cnn(C)c2n1 770336044 MQXGGTIZEDUNMJ-UHFFFAOYSA-N 323.313 -0.352 50 20 DBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNc1ncccn1 777274305 JGHBDJVRQWPDFO-QWRGUYRKSA-N 311.342 -0.077 50 20 DBGD O=C(CO)NNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 777781544 AJFQKCDRGPRSAG-UHFFFAOYSA-N 305.250 -0.466 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NNC(=O)CO)C1 779404230 QSXJMBHNOCRBBA-VIFPVBQESA-N 301.343 -0.227 50 20 DBGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)C(=O)NC(C)C 790213745 AYMIWPKSPDKHMH-UHFFFAOYSA-N 323.397 -0.241 50 20 DBGD CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NNC(=O)CO 795238578 LJBBVKWSSHHPED-SECBINFHSA-N 301.343 -0.228 50 20 DBGD CON(C)C(=O)CNC(=O)NNC(=O)Cc1ccccc1F 817793893 ITMOXMHOTHQACZ-UHFFFAOYSA-N 312.301 -0.282 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)n1 823812933 RNFNPLBRHQPYLM-STQMWFEESA-N 323.397 -0.162 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1 826045222 RYBQCPNRLKBODG-LLVKDONJSA-N 303.326 -0.360 50 20 DBGD CCOC(=O)COCCNS(=O)(=O)CBr 832110814 DSRQNKCKXVVIKR-UHFFFAOYSA-N 304.162 -0.162 50 20 DBGD COc1ccnc(C=NNC(=O)[C@@H](C)CN2CCOCC2)n1 842522037 RKFRWSSWIHKFGX-NSHDSACASA-N 307.354 -0.096 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 842589053 HEACVAHWVVVLPK-SCZZXKLOSA-N 315.351 -0.175 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 844138508 XRZSRZVFBZZCIA-LBPRGKRZSA-N 323.397 -0.624 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H](N2CCOCC2)C1 846936919 PPNATZBTNAIIMC-ZDUSSCGKSA-N 312.414 -0.414 50 20 DBGD Cc1nn(CC(=O)NNc2ncccc2[N+](=O)[O-])c(=O)n1C 848372453 SMSMMRBWUBAFQG-UHFFFAOYSA-N 307.270 -0.663 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)CC(F)(F)F 855000099 BJEHYGMJXJGUBQ-RXMQYKEDSA-N 305.278 -0.586 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cn[nH]c1 862474703 YRNQDOQWURQPRJ-UWVGGRQHSA-N 319.321 -0.654 50 20 DBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)[C@H]1CCC(=O)N1 863150445 UTMPMDLSYBQASA-SECBINFHSA-N 318.399 -0.715 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](O)c1ccccc1Cl 863463979 BMSKWWDSUSJJBE-SNVBAGLBSA-N 320.754 -0.435 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cc(F)c(F)cc1F 863464715 SOGYQZFGMOYUHU-UHFFFAOYSA-N 324.280 -0.162 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC(=O)N(C)C2=O)c(O)c1 863859620 LOQBKLMNTZUTKT-UHFFFAOYSA-N 320.305 -0.644 50 20 DBGD C[C@@H]1[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)[C@H](C)C(=O)N1C 912007175 MONSKLVRSJJOLQ-GMTAPVOTSA-N 304.155 -0.554 50 20 DBGD O=C(NCCO[C@H]1CCOC1)NNC(=O)[C@@H]1CCCCO1 927521644 DVMGKSPLQODIGY-QWRGUYRKSA-N 301.343 -0.309 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 1118136357 GZTAFGGWPAHUID-ADEWGFFLSA-N 308.386 -0.908 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CCN(CC3CC3)CC2)N1 1118798323 BUOAEEQCQNGIME-LBPRGKRZSA-N 323.397 -0.530 50 20 DBGD NC(=O)COc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1 1261833469 ZKAZTRKFDOADGY-LLVKDONJSA-N 304.306 -0.721 50 20 DBGD CCn1nc(C)c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)n1 1324292976 YZULZFAXFHLRAD-JTQLQIEISA-N 315.399 -0.288 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)NC(=O)N1 1333673099 SVOCCCWSQKRUII-QMMMGPOBSA-N 310.697 -0.301 50 20 DBGD COCCCOCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1334265868 AFOFPWMAFZUAKT-UHFFFAOYSA-N 324.337 -0.389 50 20 DBGD Cc1nc(Cl)ccc1NC(=O)C(=O)NNC(=O)CCO 1339482678 QTWHHRFSUZFPBE-UHFFFAOYSA-N 300.702 -0.488 50 20 DBGD CN1C(=O)CCC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1354019741 QMOWXITXPBEUHO-WDEREUQCSA-N 317.411 -0.510 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)[C@@H]1CCN1 1580735914 HPLUQIPFAHRTLU-QWHCGFSZSA-N 316.361 -0.200 50 20 DBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNC(=O)c1cc[nH]n1 1591875527 DECRZCQRMQIOJA-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1592360341 UKYISIDYZLTKMJ-ONGXEEELSA-N 313.354 -0.502 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1(C(=O)O)CCCCC1 1594163909 NLLVEBZSJRSHBA-UHFFFAOYSA-N 306.340 -0.787 50 20 DBGD Cc1c(NNC(=O)C2(S(N)(=O)=O)CC2)cccc1C(=O)O 1607551012 UXNBTZWHLHGFFJ-UHFFFAOYSA-N 313.335 -0.043 50 20 DBGD Cc1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)cc1C(=O)O 1607809799 DXJKXZQBHXIZHI-SNVBAGLBSA-N 313.335 -0.172 50 20 DBGD O=C(CSc1n[nH]c(=O)[nH]c1=O)NN=Cc1ccccc1 8553634 TUVZFKCFFQRYBB-UHFFFAOYSA-N 305.319 -0.299 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2COCCN2C2CCCC2)cn1 193294847 VJQKKSOISUYVEA-ZDUSSCGKSA-N 321.381 -0.176 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CC[C@](C)(O)C2)n1 267395490 XZOBZIJVKPFOMF-ZDUSSCGKSA-N 312.395 -0.402 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1CN2CCCN1CC2 362074972 BLFVDGVAVUINQA-SECBINFHSA-N 302.342 -0.814 50 20 DBGD C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584955463 NTNPJAOFIVUXRJ-JQEORGNBSA-N 320.129 -0.755 50 20 DBGD COC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCCO1 584983919 RMAGKXQIFZFRJA-CHWSQXEVSA-N 311.118 -0.571 50 20 DBGD O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cc(B(O)O)ccc1F 584987674 RLLCUUDHQUCUHA-OLZOCXBDSA-N 320.129 -0.611 50 20 DBGD O=C(N[C@@H](CO)[C@@H]1CCCOC1)c1cc(B(O)O)ccc1F 585002129 NLTQSUYBPFTSSD-RNCFNFMXSA-N 311.118 -0.977 50 20 DBGD COc1ncc(C(=O)NNC(=O)Cn2nc(C)cc2C)cn1 733949454 NPORLIGGNCOJNG-UHFFFAOYSA-N 304.310 -0.240 50 20 DBGD CCc1ncc(S(=O)(=O)NNC(=O)NCC(=O)OC)s1 763372901 CXLPWAOORGUZLJ-UHFFFAOYSA-N 322.368 -0.629 50 20 DBGD Cc1cc(C(=O)NNC(=O)C2(C(=O)NC3CC3)CCC2)n[nH]1 768278497 SFXBFJZGEBGCFX-UHFFFAOYSA-N 305.338 -0.072 50 20 DBGD COCCO[C@@H](C)C(=O)NN[C@@H](C(=O)OC)c1cccnc1 771904188 SGESPSKRASCWPO-CMPLNLGQSA-N 311.338 -0.032 50 20 DBGD COc1cc(C(=O)NNC(=O)CO)cnc1Br 788591739 UQJBWTFKKRHFEJ-UHFFFAOYSA-N 304.100 -0.394 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN[C@@H]2C(=O)NCC[C@H]2C)cc1 799345812 PPAPLFWTJVCJMO-RISCZKNCSA-N 318.377 -0.130 50 20 DBGD C[C@@H](CC(=O)O)C(=O)NNc1nccc(N2CCOCC2)n1 827303526 GOYOGXYXBQXCGX-VIFPVBQESA-N 309.326 -0.133 50 20 DBGD O=C(CNC(=O)c1ccco1)NN[C@H](C(=O)O)c1cccnc1 833109627 LLSZJXYNWYTTME-LBPRGKRZSA-N 318.289 -0.149 50 20 DBGD N[C@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 843346569 OOHCMCCZDUPDMP-JTQLQIEISA-N 307.310 -0.611 50 20 DBGD CC(C)(C)n1nnc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1 853391215 DEFNGSNDEONIOA-MNOVXSKESA-N 321.385 -0.259 50 20 DBGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C12CCC2 858703153 SYYHVYNASJYCLA-KXUCPTDWSA-N 310.354 -0.447 50 20 DBGD CC(C)Cn1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 860704670 IEMSDMVMCVFMMC-SNVBAGLBSA-N 308.342 -0.030 50 20 DBGD Cc1ccc(O[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O)cc1 863457058 CYBNYJDDDXRAGW-SNVBAGLBSA-N 314.363 -0.046 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CCCNC1=O 864493197 XAXUYWJYHFRFSL-LLVKDONJSA-N 309.297 -0.122 50 20 DBGD CCOc1cccc(CC(=O)NNC(=O)COCCOC)n1 869905556 OFDADIRSZVDMMM-UHFFFAOYSA-N 311.338 -0.167 50 20 DBGD CC(C)N1CCN(CCCC(=O)NNC(=O)c2cn[nH]c2)CC1 912978060 OFZDKRPVYRYNRI-UHFFFAOYSA-N 322.413 -0.023 50 20 DBGD CCn1cccc(CNC(=O)NNC(=O)c2cnn(C)c2)c1=O 1116845396 NDMUXHPNDDKHDX-UHFFFAOYSA-N 318.337 -0.254 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NC2CC2)C1 1319536416 XWRICMZNEODJAX-GHMZBOCLSA-N 310.398 -0.077 50 20 DBGD CCc1nn(C)cc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1319842488 NJGDKIXBLBGSQZ-MRVPVSSYSA-N 301.372 -0.630 50 20 DBGD Cn1nncc1NC(=O)C(=O)NNC(=O)c1cccc(Cl)c1 1325891904 GLAOYNUYVKLQGD-UHFFFAOYSA-N 322.712 -0.132 50 20 DBGD CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1329077297 BOGSEYFEBOQQPB-NSHDSACASA-N 322.296 -0.176 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2CC[C@@H](N)C2)C[C@H]1Br 1331388915 UVRQCBSSYQBTND-SOCHQFKDSA-N 304.188 -0.164 50 20 DBGD CN(C)N(C(=O)/C=C\c1cn(C)cn1)[C@@H]1CCS(=O)(=O)C1 1333970881 ZYSRXVZVHVCKHI-QMAVJUDZSA-N 312.395 -0.074 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC 1342592395 RJFQSBOKEVTIBT-UHFFFAOYSA-N 322.321 -0.449 50 20 DBGD CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)C1(C)C 1348434672 ADFXNMQOYADTEY-ZJUUUORDSA-N 318.395 -0.180 50 20 DBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1357143815 BTIZAVYFKVJHFA-LPEHRKFASA-N 300.359 -0.344 50 20 DBGD O=C(CC[C@@H]1CCNC1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1580528316 MQCYNHBLHZMOJG-OCCSQVGLSA-N 324.425 -0.223 50 20 DBGD COCCOCC(=O)NNC(=O)C1(C(=O)O)C(C)(C)C1(C)C 1594018196 MQAAXBYSMPVHHL-UHFFFAOYSA-N 316.354 -0.066 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)[nH]c2C)n[nH]1 1605621215 AVHFPVCQXWMERB-UHFFFAOYSA-N 315.297 -0.390 50 20 DBGD CNC(=O)[C@@H](C)CN(C)CC(=O)NNC(=O)c1ccc(F)cc1 81527070 OLOANLUBFKJYPK-JTQLQIEISA-N 324.356 -0.099 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)NCc1ccco1 138973785 JOZOBKJBKPIEOJ-UHFFFAOYSA-N 308.294 -0.351 50 20 DBGD CC1CCN(CC(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 268494996 GBQUQSAJVUIPGU-UHFFFAOYSA-N 319.365 -0.101 50 20 DBGD O=C(CN1CCOCC1)NNC(=O)c1ccc2c(c1)OCCO2 270794735 YCHPSZOVSGOVBS-UHFFFAOYSA-N 321.333 -0.449 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)N1CCN(C)CC1 278602179 LFDOQNRIGJGNRU-UHFFFAOYSA-N 324.385 -0.596 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCC(=O)N2)cc1 282842744 PRQUSNXRLQSHPB-LLVKDONJSA-N 318.333 -0.250 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C(=O)OC)cc1 286380799 OBFZPBWJINNNJP-UHFFFAOYSA-N 301.324 -0.062 50 20 DBGD O=C(O)C[C@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 321140654 FNTDYCLQTAHPDY-LBPRGKRZSA-N 321.333 -0.377 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(O)CCCC1 495710675 XSZJDXIPELWDSB-UHFFFAOYSA-N 301.343 -0.036 50 20 DBGD CCCCCS(=O)(=O)CC(=O)Nc1cccc(B(O)O)c1 584911463 VUDNRJHIIPKLPM-UHFFFAOYSA-N 313.184 -0.090 50 20 DBGD CC(C)CN1CCN(C(=O)c2cccc(B(O)O)c2)CC1=O 584974836 RSXBNMAHXMGKHZ-UHFFFAOYSA-N 304.155 -0.693 50 20 DBGD CC(=O)N[C@H](C)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584974960 CLFPYHQCFPRPJK-LLVKDONJSA-N 318.182 -0.257 50 20 DBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C(N)=O)C1 584975633 WSJKHZUXYFMQEK-UFBFGSQYSA-N 308.118 -0.769 50 20 DBGD CC(C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1nncn1C 584988964 WOCRPJKSRXKNIK-LBPRGKRZSA-N 320.133 -0.239 50 20 DBGD Cc1nc([C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)n[nH]1 585002007 KCHHFNIXKBKLTL-JTQLQIEISA-N 318.117 -0.438 50 20 DBGD CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCB(O)O 585053821 DDDQBAUZYWAOEL-LBPRGKRZSA-N 324.211 -0.025 50 20 DBGD C#CCNC(=S)NNC(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1 758182779 DHTNESIAXIAYHO-SDDRHHMPSA-N 312.439 -0.140 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1Cl 764204402 UOZVYIZDNDDSPL-UHFFFAOYSA-N 323.740 -0.141 50 20 DBGD COC[C@@H](O)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C 766143897 GPKDOPGFZRSOHR-GFCCVEGCSA-N 324.333 -0.765 50 20 DBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)Cc1cccnc1 767418068 TXZBAIROKWSQOV-UHFFFAOYSA-N 313.379 -0.015 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)nc2nc(O)nc(O)c12 768254734 CIVGDSLMDZSQPM-UHFFFAOYSA-N 321.293 -0.724 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1ccc(O)c(O)c1 779489712 SPYSRNYKHWMPFV-GQCTYLIASA-N 307.306 -0.217 50 20 DBGD CCCNC(=O)NNC(=O)c1c(Br)nnn1C 813426261 UORMXDBTIZZEJL-UHFFFAOYSA-N 305.136 -0.068 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)NCCF 827275489 VEEQUVPMJWKFBC-XHNCKOQMSA-N 304.322 -0.784 50 20 DBGD O=C(NCCOCC1CCCC1)NNC(=O)C(=O)NC1CC1 838730284 GOGXXAKTFNPJDK-UHFFFAOYSA-N 312.370 -0.198 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CNCCC1(F)F 842002503 FTGWVQNBKXOJBN-IUCAKERBSA-N 306.313 -0.117 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCNC1 851672392 IQHUYZLRURNACM-NSHDSACASA-N 303.322 -0.371 50 20 DBGD C[C@@]1(CNC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1Br 857399519 WZLOWWYWHXSRKQ-XVKPBYJWSA-N 316.159 -0.333 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](C)S1 858695360 DJYREPZBPSHGCM-YIZRAAEISA-N 300.384 -0.168 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862448838 HQPDAHBFOJXLCU-JTQLQIEISA-N 305.290 -0.487 50 20 DBGD COc1ccccc1CCC(=O)NNC(=O)CS(C)(=O)=O 863457171 DINZMUWOEAUOPL-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1O 863465937 JBMRCHNLDGNSRC-UHFFFAOYSA-N 314.319 -0.600 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCOc2ccccc2)n(C)c1=O 900435158 FKRDHGPFQOXFKX-UHFFFAOYSA-N 318.333 -0.046 50 20 DBGD CCNC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 920858502 XCKZCSPXXNYVHN-JTQLQIEISA-N 305.338 -0.220 50 20 DBGD Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1S(N)(=O)=O 1118914541 AMVCTVMTDDCIMI-JTQLQIEISA-N 312.156 -0.669 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ocnc1C1CC1 1261177940 FIHVFZQCCXFCAQ-ZCFIWIBFSA-N 316.339 -0.749 50 20 DBGD O=C(NNC(=O)[C@H]1CCOC1)C1CCN(c2ncccn2)CC1 1318319361 TXUIXUQLXIZAFN-LBPRGKRZSA-N 319.365 -0.123 50 20 DBGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)CC1CC1 1320239350 IHRNGRDPUWDBMV-UHFFFAOYSA-N 306.322 -0.420 50 20 DBGD O=C1CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CN1 1322609294 NSGIZESEXDUKOB-VIFPVBQESA-N 301.310 -0.368 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 1323318475 JMAWCWLJFOJFDS-VHSXEESVSA-N 324.337 -0.093 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2CCN(C3CC3)CC2)N1 1332411535 SKXRBTVCFOACED-NSHDSACASA-N 309.370 -0.778 50 20 DBGD COCCN(C)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1347702691 VYACAXZJRHYGFD-JTQLQIEISA-N 308.400 -0.422 50 20 DBGD Cc1nc2ccnn2cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348385832 AIDNNOUNORPCFZ-VIFPVBQESA-N 302.294 -0.923 50 20 DBGD Cn1nnc2c(C(=O)NNC(=O)[C@H]3CCCNC3)ccnc21 1580017018 IFAIDSQHURCNRT-QMMMGPOBSA-N 303.326 -0.876 50 20 DBGD OB(O)c1ccccc1CNCCc1ccc(-c2nn[nH]n2)cc1 1582808603 JYIDVYHOUIPRFJ-UHFFFAOYSA-N 323.165 -0.121 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNC(=O)[C@@H]2CCCCO2)c1=O 1595156847 RGIXYTNXJIQGDD-JTQLQIEISA-N 323.305 -0.737 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)n1C 1605017683 HHGQJOYPPBPMCW-UHFFFAOYSA-N 324.337 -0.211 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-c2nn[nH]n2)nc1 1606851663 HJUHTMNFOLJJLP-SNVBAGLBSA-N 317.309 -0.408 50 20 DBGD C[C@H](C(=O)O)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 1607451444 DIRJUTGQAQEZSM-MRVPVSSYSA-N 324.293 -0.239 50 20 DBGD CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795107181 BNDMVNJWSPKLOG-DTHBNOIPSA-N 304.774 -0.414 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 43934595 HYJNZIXSTDBQTR-MRVPVSSYSA-N 316.358 -0.428 50 20 DBGD C[C@@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)N(C)C1CC1 105264815 WYJRETMAQUCTKU-GWCFXTLKSA-N 318.443 -0.150 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-n2ccnn2)cc1 155967273 GOZVQCHSPTWOGC-UHFFFAOYSA-N 303.326 -0.018 50 20 DBGD CS(=O)(=O)N1CCN(CCI)CC1 190787902 LXWJISCNAMHOHP-UHFFFAOYSA-N 318.180 -0.001 50 20 DBGD O=C(CN1CCNCC1=O)NNc1ncnc2ccsc12 238112211 FULGMAMWLFRHJU-UHFFFAOYSA-N 306.351 -0.434 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)Cc2ccncc2)C1 269292394 QHBGGCINPGGYDP-UHFFFAOYSA-N 307.310 -0.595 50 20 DBGD CCN1CCN(CC(=O)NNc2nc(C)cc(C)n2)C(=O)C1=O 298754371 VYDXIQONWFZDFG-UHFFFAOYSA-N 320.353 -0.773 50 20 DBGD Cc1cc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)n[nH]1 494540552 UJXRBQAKMSWAIX-UHFFFAOYSA-N 311.342 -0.067 50 20 DBGD CCC[C@H](C)C(=O)NCCNC(=O)c1cccc(B(O)O)c1 584993730 ZYIWCIVTQAVICY-NSHDSACASA-N 306.171 -0.351 50 20 DBGD COc1cc(Cl)c(S(=O)(=O)NCB(O)O)cc1OC 585059579 SWOYOJBETPHFRW-UHFFFAOYSA-N 309.536 -0.353 50 20 DBGD O=C(CN1CCSC[C@@H]1CO)NNC(=O)c1cccs1 689206758 OJDOVHLLWVBTPE-VIFPVBQESA-N 315.420 -0.081 50 20 DBGD CNc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1[N+](=O)[O-] 729455907 GKXIDYPMDIBEJN-UHFFFAOYSA-N 305.254 -0.171 50 20 DBGD NC(=O)N[C@H](CC(=O)NNC(=O)c1cnn[nH]1)c1ccccc1 729456863 LLCQZDXZYHIFNJ-SECBINFHSA-N 317.309 -0.635 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)C2=NNC(=O)C2)cc1 732264026 LRZXPTYSOYPGMD-UHFFFAOYSA-N 305.294 -0.870 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)NC[C@H]2C1 752332246 NBXZUZYVVDIQOO-MNOVXSKESA-N 311.386 -0.722 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc(OC)cc1[N+](=O)[O-] 769311485 NEEKXJQRNYYYRX-UHFFFAOYSA-N 318.311 -0.404 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)[C@@H]1CN(C)CCO1 769995025 DSAXKOKGOZVZFK-YPMHNXCESA-N 321.381 -0.326 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 772694850 SECQCCIYKOFVCF-MRVPVSSYSA-N 324.362 -0.896 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(F)ccc1OCCOC 786720939 XOBXLKOWJBMAOT-UHFFFAOYSA-N 321.330 -0.027 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CSCCS2)CC1 788166556 PSQJPKVHQZCYPC-SECBINFHSA-N 304.441 -0.177 50 20 DBGD Cn1cnc2c(C(=O)NNC(=O)N3CCOCC3)ccnc21 805170559 HRGSXGLQGORUOF-UHFFFAOYSA-N 304.310 -0.345 50 20 DBGD CCOCC(=O)NNC(=O)NCc1ccc(OC)nc1OC 812617115 DCDYWYWSPAUFRH-UHFFFAOYSA-N 312.326 -0.034 50 20 DBGD CCN(CCO)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 823860065 IVAVNSLAPCFSJT-ZDUSSCGKSA-N 319.361 -0.149 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NN(C)[C@@H](C)CO 823971735 YVQQMEIHWPJXPD-NWDGAFQWSA-N 321.443 -0.076 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CCOC1 826444949 AFDYSSGVAFVCGZ-JTQLQIEISA-N 317.309 -0.400 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[C@@H]1OC 826542295 LHWYDWIASPBJJJ-ZIQFBCGOSA-N 315.370 -0.066 50 20 DBGD CCCN(CC(N)=O)CC(=O)NNC(=O)c1ccc(F)cc1 839608285 RLCOZRGSBIIHOY-UHFFFAOYSA-N 310.329 -0.216 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)nc2n1 843637169 BHCAFSIFEGDRBK-VHSXEESVSA-N 318.337 -0.073 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 846122138 IUCQRMPFMHGARV-JTQLQIEISA-N 313.285 -0.354 50 20 DBGD CC1=C(C(=O)NNc2cnccn2)[C@H](C)n2nnnc2N1C 847755488 YWNCOHUSMDUORE-QMMMGPOBSA-N 301.314 -0.109 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(Cl)n1)S(C)(=O)=O 857326380 WQKNBUNOGIDNJB-LURJTMIESA-N 305.743 -0.071 50 20 DBGD C[C@]1(CNC(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1Br 857384892 BMHWHCSZCVVPJV-BKPPORCPSA-N 311.201 -0.032 50 20 DBGD C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858418272 KEQWCCRFZACAPF-FOGDFJRCSA-N 310.354 -0.423 50 20 DBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 861566342 KKGXULLSGQJERS-MNOVXSKESA-N 322.321 -0.119 50 20 DBGD CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862452524 YADYACCUMQRNAX-JTQLQIEISA-N 306.322 -0.092 50 20 DBGD COC(=O)COc1cccc(C(=O)N2CC[C@@H](B(O)O)C2)c1 864231102 JBOUAIMDDPNJOL-LLVKDONJSA-N 307.111 -0.073 50 20 DBGD CN1CCN(C(C)(C)CNCc2ccccc2B(O)O)CC1 876924017 LBBZZOVEOPYBTG-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CC1=O 920435508 IPTCKTRQUKBHSN-SNVBAGLBSA-N 324.381 -0.597 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-n2cncn2)cc1 1116598433 GEKQNSKYDXMIBG-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1COCCN1CC 1117752575 KDPGWFCCEXRUAI-NSHDSACASA-N 314.386 -0.841 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1320159185 BLHZEBFJLFDIGM-YFKPBYRVSA-N 305.747 -0.410 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc(C2CC2)nc1 1320240535 DGMONTMAPWBVBE-UHFFFAOYSA-N 307.310 -0.524 50 20 DBGD CC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 1322614213 NVEKNQZFOIRMQF-UHFFFAOYSA-N 300.340 -0.420 50 20 DBGD O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CCS(=O)(=O)N1 1328679961 STIHSYMKXTVQOT-QMMMGPOBSA-N 324.322 -0.734 50 20 DBGD CCOC(=O)C[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 1329185339 YAIKEEBBQJDONE-ZDUSSCGKSA-N 305.139 -0.076 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3nnn(C)c3C2)cn1 1347447463 LEVXJUJXPHSCGJ-MRVPVSSYSA-N 303.326 -0.885 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1594644798 NUTILFZSTNBRJK-MMWGEVLESA-N 314.338 -0.171 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@@H](C(=O)O)C1 1604359021 SVPKJBHHPCAHTE-JGVFFNPUSA-N 305.356 -0.329 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1605511209 BBCSBCYIUKVMFL-VIFPVBQESA-N 322.321 -0.891 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Cl 1608530739 CNLHCXGBYSGMKY-UHFFFAOYSA-N 303.633 -0.350 50 20 DBGD CCCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1609215858 MKNLERNENKEPHW-UHFFFAOYSA-N 319.325 -0.014 50 20 DBGD CN1CCN(CCNS(=O)(=O)CBr)CC1 127129490 JRYQJUNEKMDYTO-UHFFFAOYSA-N 300.222 -0.494 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ccc([N+](=O)[O-])cc2)c1=O 133971708 GCRWEHJYCICIQP-UHFFFAOYSA-N 319.277 -0.402 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2nnc(C3CC3)s2)c1=O 184512619 DEOXJYVCTZBLAR-UHFFFAOYSA-N 322.350 -0.581 50 20 DBGD COc1cccc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 272439192 ABIMBUPGDWMLED-BDAKNGLRSA-N 309.326 -0.251 50 20 DBGD COC(=O)C1(CNC(=O)NNC(=O)Cc2ccncc2)CC1 274973483 JQROTWYALQKQNT-UHFFFAOYSA-N 306.322 -0.092 50 20 DBGD Cn1nc(Br)cc1C(=O)NNC(=O)C(C)(C)O 277977487 NZGFCBCTNMMQSS-UHFFFAOYSA-N 305.132 -0.286 50 20 DBGD COC(=O)NCC(=O)NNC(=O)CNc1ccccc1OC 299059907 BZZDFNHJALFKTK-UHFFFAOYSA-N 310.310 -0.390 50 20 DBGD Cc1nn(C)c(C)c1NC(=O)COc1ccc(B(O)O)cc1 584909043 AZLXFXDOZAQQHI-UHFFFAOYSA-N 303.127 -0.266 50 20 DBGD CN1CCC[C@H](CN(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584947734 ZWEWLWILUMPWLK-NSHDSACASA-N 308.162 -0.081 50 20 DBGD CCN1CCN([C@@H](C)CNCc2cccc(B(O)O)c2)CC1 585015371 AWCYJJZEKSCZFV-AWEZNQCLSA-N 305.231 -0.518 50 20 DBGD CCNC(=O)c1ccc(CNCc2ccc(B(O)O)o2)cc1 585015605 HGXUDCZXTLHJBE-UHFFFAOYSA-N 302.139 -0.001 50 20 DBGD CNC(=O)[C@H]1CCCC[C@H]1NCc1ccc(B(O)O)cc1F 585030627 WKIKVKMSGYGLFM-GXTWGEPZSA-N 308.162 -0.100 50 20 DBGD CCN1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 729303545 SUCFVTVWRCUZDZ-MNOVXSKESA-N 317.411 -0.557 50 20 DBGD CN1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 732281742 BNOSNQPWPFUJMV-SNVBAGLBSA-N 308.338 -0.359 50 20 DBGD COC(=O)[C@@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 752311651 ORLJFGGVVDHTIT-VIFPVBQESA-N 301.343 -0.946 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 754958030 LLOAIEUTXXTMSW-RISCZKNCSA-N 310.306 -0.629 50 20 DBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)O1 758031178 VGFBSHARUZCIAP-DJLDLDEBSA-N 307.372 -0.971 50 20 DBGD CN(NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(N)=O 770531457 BJYKNECWNKGBPV-UHFFFAOYSA-N 305.254 -0.169 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)C1CC1 771995225 WSHFEHVHZUMULS-SECBINFHSA-N 313.354 -0.362 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)NC(=O)OC 772089175 GZMOUMDOTKJQHM-ZETCQYMHSA-N 303.315 -0.390 50 20 DBGD C[C@H](NS(=O)(=O)CBr)[C@@H]1CN(C)CCO1 782475408 ZVOUOUDWHVOQCX-YUMQZZPRSA-N 301.206 -0.023 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnc(C(=O)OC)c1 786252733 DWXDJXIIXCFFCY-MRVPVSSYSA-N 323.305 -0.029 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCN1C[C@H](C)O[C@H](C)C1 789330821 XSJPTAFHXGUUKO-FRRDWIJNSA-N 314.430 -0.027 50 20 DBGD O=C(COC(=O)C1CC1)NNC(=O)[C@@H]1COc2ccccc2O1 798179298 NTLZEFFKLDWFNC-LBPRGKRZSA-N 320.301 -0.073 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCc2nnn(C)c2C1 811342594 AKNJJJZOEYAPHK-BDAKNGLRSA-N 323.353 -0.591 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCc2nnn(C)c2C1 811342600 AKNJJJZOEYAPHK-IUCAKERBSA-N 323.353 -0.591 50 20 DBGD Cn1ncc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 814739644 YLURBAFYKBHFDT-UHFFFAOYSA-N 311.305 -0.174 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 843651891 PPJSTCQCCWEGOX-YUMQZZPRSA-N 316.335 -0.131 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)COc1ccccc1O 847467060 RPLWCBILIJUVTE-DTWKUNHWSA-N 307.306 -0.570 50 20 DBGD C[C@]1(CNC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1Br 857385150 DXZNPYISLCYPIG-LHLIQPBNSA-N 316.159 -0.333 50 20 DBGD Cc1cnn([C@@H]2CCN(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C2)c1 858700719 RUMMYKVNRXTNSJ-MNOVXSKESA-N 320.353 -0.542 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3C2)N1 862449910 LWSXUDJNHBYBMM-MNOVXSKESA-N 303.318 -0.336 50 20 DBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862456311 OFYPQDVMOKXSDO-BBBLOLIVSA-N 311.338 -0.608 50 20 DBGD COc1ccc2c(c1F)NC(=O)C2=NNC(=O)[C@H]1CCC(=O)N1 863149553 BXACCVLHMSZJFW-SSDOTTSWSA-N 320.280 -0.115 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCC(=O)c1ccccc1 863457348 HPIWLSBOZGSMEN-UHFFFAOYSA-N 312.347 -0.159 50 20 DBGD Cn1cnc2cccc(C(=O)NNC(=O)C(=O)N3CCCC3)c21 863862735 JSVRXDPCFHAQPQ-UHFFFAOYSA-N 315.333 -0.043 50 20 DBGD CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 863872133 ARAIKIVNASHQNN-ZDUSSCGKSA-N 305.139 -0.077 50 20 DBGD Cc1nc[nH]c1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 895510268 BQHMUFYTGSQJNQ-UWVGGRQHSA-N 309.370 -0.022 50 20 DBGD CS(=O)(=O)N1CC(C(=O)NNC(=O)c2ccccc2F)C1 899937615 QOVNHPKHTAYEEP-UHFFFAOYSA-N 315.326 -0.522 50 20 DBGD O=C(O)Cn1cc(C(=O)N2C[C@H]3[C@H](Br)[C@H]3C2)nn1 902741141 MMCXZFBJYTYXDH-KPCSLPGQSA-N 315.127 -0.172 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 1116596450 SVZPYFSCDHUHKU-UHFFFAOYSA-N 316.321 -0.178 50 20 DBGD Cn1cc(N2CCN(C(=O)NNC(=O)c3cn[nH]c3)CC2)cn1 1118864574 QKAIBUPBBHEBBB-UHFFFAOYSA-N 318.341 -0.680 50 20 DBGD CNC(=S)N(C)NC(=O)CNS(=O)(=O)c1ccccc1 1261744620 LLWRBHTWLDEDEZ-UHFFFAOYSA-N 316.408 -0.568 50 20 DBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319097207 AIGYZQHOJIXLOQ-UHFFFAOYSA-N 321.337 -0.670 50 20 DBGD C#CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1319941238 TXZHYQIGWFQABK-UHFFFAOYSA-N 309.351 -0.443 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ncccn2)cn1 1320342825 SXSFHJPJGSRJDG-UHFFFAOYSA-N 308.323 -0.463 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 1325506879 UPLTUIQWSLPDIF-UHFFFAOYSA-N 319.365 -0.456 50 20 DBGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329077475 FCFIOKHFEYVNCW-QPUJVOFHSA-N 321.381 -0.358 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@H](n3cccn3)C2)N1 1329191018 KWMNNFKOUNZYNK-UWVGGRQHSA-N 306.326 -0.851 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCN(C(C)=O)C1 1329551591 PNMPQQZYSBJTBK-LLVKDONJSA-N 301.343 -0.945 50 20 DBGD C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)n1ccnc1 1330192615 PKKZWJFQIPXODQ-QWRGUYRKSA-N 300.384 -0.064 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CN1C(=O)CCC1=O 1347715863 GGKLCEXCYKYGMM-UHFFFAOYSA-N 319.317 -0.466 50 20 DBGD COc1cccc([C@H](N)C(=O)NNC(=O)c2cccnn2)c1 1579263942 AFCCZFGMVRUUDA-LBPRGKRZSA-N 301.306 -0.054 50 20 DBGD O=C(CC1CCNCC1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1580510804 HOCGSHKNXYLZOS-AWEZNQCLSA-N 324.425 -0.223 50 20 DBGD CC(=NNC(=O)CS(C)(=O)=O)c1ncc(C(=O)O)s1 1589012479 NCXFISXHRZZEML-UHFFFAOYSA-N 305.337 -0.274 50 20 DBGD CC(C)(CS(=O)(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1590817585 DDCCFVCAZDONCH-HRDYMLBCSA-N 320.367 -0.385 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 1594646133 VZNPARVHOXCWTF-YUMQZZPRSA-N 311.298 -0.455 50 20 DBGD O=C(O)C1(C(=O)NNc2ccncn2)CCS(=O)(=O)CC1 1594867706 QXKMXUCYHTXBLB-UHFFFAOYSA-N 314.323 -0.801 50 20 DBGD N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NNc1nc[nH]n1 1606337075 CWWABVQQPHETLW-JTQLQIEISA-N 324.308 -0.190 50 20 DBGD Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)NNC(=O)C(=O)O)cn1 1608109456 CWGPPUVVVGHDJK-ZJUUUORDSA-N 309.326 -0.454 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ncccc2Cl)c1=O 114884751 FKQLZMIUGMATCK-UHFFFAOYSA-N 309.713 -0.261 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1COCCO1 266675610 JDLZFWVTMVNGDS-LLVKDONJSA-N 304.306 -0.560 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CN(C)CCO1 266821040 ZFZBASLYXQVXLJ-ZDUSSCGKSA-N 323.349 -0.448 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(OC)ncn1 273427946 KPGDRFHYEQREPL-MRVPVSSYSA-N 313.314 -0.311 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCOc1ccc(C(N)=O)cc1 277893371 FYJBGAJBBIATFS-UHFFFAOYSA-N 309.322 -0.527 50 20 DBGD COc1cccc(C(=O)NCC(=O)NNC(=O)C(C)(C)O)c1 277938700 KLPSFDPJUUQSOT-UHFFFAOYSA-N 309.322 -0.657 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCCCc2c[nH]nn2)CC1 278785806 ZHCGJSIGIDSUQC-UHFFFAOYSA-N 309.374 -0.494 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCc3cn[nH]c3C2)CC1 287736168 HFJUCIYKQYTLKC-SNVBAGLBSA-N 306.370 -0.497 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1COCCN1CC 377211996 HOOMJQIHIRREOV-NSHDSACASA-N 317.386 -0.356 50 20 DBGD CCN1CCO[C@@H](C(=O)NNC(=S)NCCSC)C1 378365238 IMGLDSPVBYLVJO-SECBINFHSA-N 306.457 -0.435 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)S(C)(=O)=O 494539127 LMGXKLNFYCRXFS-SSDOTTSWSA-N 323.371 -0.908 50 20 DBGD Cn1cc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cn1 494641661 RVIQXPVGNFEYLI-UHFFFAOYSA-N 311.342 -0.365 50 20 DBGD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584947408 PEBBDKYCAUDHDR-OCCSQVGLSA-N 318.182 -0.257 50 20 DBGD CC1(C)CCN(C(=O)c2cccc(B(O)O)c2)CC[S@]1=O 584996792 PWAHJIKRQCWBKN-OAQYLSRUSA-N 309.196 -0.260 50 20 DBGD CO[C@]1(CO)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585007658 YNZBDFMCSKFATJ-CQSZACIVSA-N 311.118 -0.881 50 20 DBGD C[C@H](CCN1CCOCC1)NCc1ccc(B(O)O)cc1F 585032769 LMEGYOPWZCBKCK-GFCCVEGCSA-N 310.178 -0.294 50 20 DBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)[C@@H]1n1cccn1 585043038 KDXXZPHTFFEMBI-BZPMIXESSA-N 305.143 -0.336 50 20 DBGD O=C(NCB(O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1 585057036 ITBWPYDFUAXRJP-UHFFFAOYSA-N 312.156 -0.787 50 20 DBGD COc1ccc(-c2nnc(S)n2CC(=O)NCB(O)O)cc1 585057337 CGBTUBFKHXDJJA-UHFFFAOYSA-N 322.155 -0.629 50 20 DBGD COc1ccccc1C(=O)NNC(=S)NCC(=O)N(C)C 731489503 BFLOWSYSKHPILQ-UHFFFAOYSA-N 310.379 -0.108 50 20 DBGD CN(CCCNC(=O)NNC(=O)C1CCC1)S(C)(=O)=O 732241465 JSHDDZLIURXUBV-UHFFFAOYSA-N 306.388 -0.602 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)NC(=O)O)C[C@@H](C)O1 739180944 HHJAMWJZUZQHMM-AEJSXWLSSA-N 316.358 -0.711 50 20 DBGD NC(=O)N[C@@H](CO)C(=O)NNc1ccnc(Br)c1 771553657 WZUMFNCIGCGJLJ-LURJTMIESA-N 318.131 -0.684 50 20 DBGD COC(=O)NCCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772132445 CEZOAFHCEHZEKR-SECBINFHSA-N 317.342 -0.142 50 20 DBGD C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)CBr 782435236 NOYYRTFZXSGVGM-VIFPVBQESA-N 314.249 -0.106 50 20 DBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 792857152 JQYQAWQGEQBTCK-IVZWLZJFSA-N 306.384 -0.370 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn2c1OCCC2 795739579 DIAUOIUTSPPLQD-QMMMGPOBSA-N 310.310 -0.232 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(OC(F)F)cc1F 802567676 UZFCFACCANVUAW-UHFFFAOYSA-N 321.211 -0.495 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNc2ncccc2F)C1 805460828 NPNUAVWGLDWDHU-UHFFFAOYSA-N 317.346 -0.073 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 810386609 JOIMSGNGKKSAIC-UHFFFAOYSA-N 307.285 -0.655 50 20 DBGD CNC(=O)C1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 826053753 YQHJFBMZBSUICD-UHFFFAOYSA-N 301.310 -0.164 50 20 DBGD CN(C)c1nccc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1 853389573 ONBVCDOZBMKPEI-OLZOCXBDSA-N 318.381 -0.144 50 20 DBGD C[C@@H]1CC2(CCOCC2)CN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702420 JNADFJLYXXSWKL-MNOVXSKESA-N 324.381 -0.103 50 20 DBGD CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)CCl)CC1 859165352 XRJSMNXYWNICPI-UHFFFAOYSA-N 324.833 -0.744 50 20 DBGD Cn1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1-n1cccc1 862451196 JYTVTRNJYIIUGJ-JTQLQIEISA-N 316.321 -0.750 50 20 DBGD C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461939 NGZFCIPYXZDUJQ-BLLLJJGKSA-N 319.361 -0.204 50 20 DBGD CS(=O)(=O)NCCC(=O)NNCC(F)(F)C(F)(F)F 863092740 ITTPWUAOPLHNTF-UHFFFAOYSA-N 313.248 -0.256 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccccc1C=O 863460562 CDIRSEHCZOQFPO-UHFFFAOYSA-N 314.319 -0.930 50 20 DBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NN)cc1 916665638 USMDFQWTVOKHSB-UHFFFAOYSA-N 300.340 -0.697 50 20 DBGD O=C(Cn1cc(Cl)cn1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1117702653 HSAKCDQAFAWHJU-SSDOTTSWSA-N 320.758 -0.881 50 20 DBGD Cc1csc(C(=O)NNC(=O)NCCS(N)(=O)=O)c1 1118863845 DLBLQDQQCQYIJT-UHFFFAOYSA-N 306.369 -0.711 50 20 DBGD O=C(NNS(=O)(=O)c1cnn2c1OCCC2)c1ccccn1 1261252281 FIEMYOWPEUAOQA-UHFFFAOYSA-N 323.334 -0.316 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(C)=O 1261745516 LFNMDKDLJQKLKL-GARJFASQSA-N 314.338 -0.283 50 20 DBGD CN1CCC(NC(=S)NNC(=O)C(=O)N2CCCC2)CC1 1318119770 OCHHRPFOQUXDQY-UHFFFAOYSA-N 313.427 -0.802 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2nncc(N)c2Cl)C1=O 1319406006 JVOBXCKNOCNZBC-UHFFFAOYSA-N 313.705 -0.951 50 20 DBGD CCn1cc(C(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cn1 1319531804 RTAGJBZGJBLUDV-UHFFFAOYSA-N 318.337 -0.253 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 1324170579 WVNTXQBZMBGAOE-UHFFFAOYSA-N 321.289 -0.521 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)n1 1324816691 FEFYESJWEQNNMC-URLYPYJESA-N 324.406 -0.688 50 20 DBGD CCn1nccc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1328748694 XAQNCLIBGSNRLX-LBPRGKRZSA-N 315.399 -0.216 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)N=c1cc[nH]cc1 1329252748 IXDRBYWRUZVGQE-WPRPVWTQSA-N 322.325 -0.705 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 1331262666 QJBDNFZGONYJLX-VIFPVBQESA-N 322.456 -0.438 50 20 DBGD CC(C)c1ncc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)[nH]1 1331736359 LHQIHMQZJTXVED-SSDOTTSWSA-N 315.355 -0.879 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccc(Cl)nc1 1346283617 KGXDIWMJWMZWNV-KOLCDFICSA-N 323.784 -0.116 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1573372561 WNHRLGVNDHSMMH-SFYZADRCSA-N 315.326 -0.136 50 20 DBGD CN(C)N(C(=O)[C@@H]1C[C@@]12CCCNC2)[C@H]1CCS(=O)(=O)C1 1578420387 IMYKOPYSRVVMCE-SGMGOOAPSA-N 315.439 -0.132 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1592927297 IOKHFMNDIPSOAY-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD O=C(Cc1ccccc1C(=O)O)NNC(=O)CN1CCCC1=O 1594709786 OBNZPKPZBZEVJS-UHFFFAOYSA-N 319.317 -0.303 50 20 DBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)[C@@H]1CCc2nncn2C1 1601553496 JXLQDVVUXCWLJD-UWEQVVMYSA-N 319.321 -0.757 50 20 DBGD C[C@@H](C(=O)NNC(=O)CC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 1603019469 HAWCMWXSSLNEKE-ZETCQYMHSA-N 321.345 -0.397 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1603995684 QJHVJEPZVQEPOR-LURJTMIESA-N 307.318 -0.201 50 20 DBGD O=C(NCC(=O)N1CCNCC1)NNc1cccc(C(=O)O)c1 1608414728 RPQSLQIGYXAJKB-UHFFFAOYSA-N 321.337 -0.557 50 20 DBGD CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796361918 YCNRWMRWAHKJBY-SSRBZLIGSA-N 322.764 -0.119 50 20 DBGD C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839807546 GVSVVVODMXNPHN-AAEUAGOBSA-N 318.732 -0.390 50 20 DBGD Cc1nnc(NNC(=O)CNC(=O)c2ccccc2)[nH]c1=O 11548316 XYWOUWFSNGJXMF-UHFFFAOYSA-N 302.294 -0.654 50 20 DBGD O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)[C@@H]1CCCO1 32261179 QXCMHTDNCBRILW-NSHDSACASA-N 316.321 -0.334 50 20 DBGD CC(C)NC(=O)NNC(=O)CNC(=O)COc1ccccc1 63363511 OSPYFQRADFWNRI-UHFFFAOYSA-N 308.338 -0.080 50 20 DBGD COc1cccc(NNC(=O)NC[C@H]2CN(C)CCN2C)n1 272490466 FFMVZEMGKJCSQW-NSHDSACASA-N 308.386 -0.038 50 20 DBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)C(C)(C)O 276258711 MZDHHHNFAKOPSS-MRVPVSSYSA-N 303.384 -0.394 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CSCC2=O)c(O)c1 298914369 CHBWDCBCVKUJCC-UHFFFAOYSA-N 309.347 -0.005 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1sccc1-n1cnnn1 299383228 ONDIAEDHYIIZTL-UHFFFAOYSA-N 323.338 -0.590 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 299455591 BCJUUVYRZLWXFJ-NSHDSACASA-N 324.381 -0.453 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 490893097 ARNOHSZOHOVBBU-UHFFFAOYSA-N 312.311 -0.398 50 20 DBGD CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 495270900 NUPPVFSSXIUYQE-SNVBAGLBSA-N 323.353 -0.032 50 20 DBGD NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584962971 NQNGTSJWXOARHX-WCBMZHEXSA-N 308.118 -0.721 50 20 DBGD C[C@H]1OCC[C@]12CN(C(=O)c1ccc(B(O)O)cc1)CCO2 584985363 KQWVNZCSYBMWBE-ABAIWWIYSA-N 305.139 -0.614 50 20 DBGD C[C@@]1(NNC(=O)N[C@H]2CCN(C3CC3)C2)CCS(=O)(=O)C1 734279517 SWTGSOJKKOVIGS-GXFFZTMASA-N 316.427 -0.396 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1 738041202 YPABFDQYIIYLAW-QWRGUYRKSA-N 307.306 -0.025 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cncc(F)c1 749153746 FOIOTIIJITWSDE-UHFFFAOYSA-N 306.319 -0.250 50 20 DBGD O=C(CN1C[C@H](O)[C@H](O)C1)NNC(=O)c1cccc(Cl)c1 750838890 RNBDMEGZMZEDDA-PHIMTYICSA-N 313.741 -0.862 50 20 DBGD COCCn1nc(C(=O)NNC(=O)c2ccc(C)o2)ccc1=O 752777767 QJMLGNWNEOVAKL-UHFFFAOYSA-N 320.305 -0.134 50 20 DBGD O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)Cc1cc[nH]n1 755286527 NDOOQHGFRFGKEO-UHFFFAOYSA-N 312.285 -0.120 50 20 DBGD C=C(C)COCCNC(=O)NNC(=O)CNC(=O)c1ccco1 762377006 XKTBJQAHNSETHO-UHFFFAOYSA-N 324.337 -0.068 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ncnc2ccsc12 766680181 GBNSBNPOWUZNTA-UHFFFAOYSA-N 301.353 -0.316 50 20 DBGD COCCN(CCO)CC(=O)NNC(=O)c1cccc(C)c1 777573757 WMRCXNKQWICSTK-UHFFFAOYSA-N 309.366 -0.303 50 20 DBGD CNC(=O)[C@@]1(C)CCN(CC(=O)NNC(=O)c2ccccc2)C1 797525276 HDCVMZZLAPMJNG-INIZCTEOSA-N 318.377 -0.094 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](OC)c1cnn(C)c1 798774580 QEUCNHXOVKAUCO-GZMMTYOYSA-N 312.326 -0.403 50 20 DBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CC1CC1 819109884 NNJFPKVTADIEAU-SNVBAGLBSA-N 303.384 -0.252 50 20 DBGD CCN(CCO)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 823846158 CNGXKOWRGCYBLM-LBPRGKRZSA-N 306.366 -0.225 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN(C)[C@H](C)CO 823971526 WADWYACEBUQAGY-VXGBXAGGSA-N 321.443 -0.076 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCCCO1)C(C)C 833246519 LTZVYNZJTVWGJZ-PWSUYJOCSA-N 315.370 -0.510 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21 842000300 WBUGFOSOTUHQDD-YABSGUDNSA-N 315.333 -0.515 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCN2C=O)cc1 854259988 FFACFVXEEXPYIL-LBPRGKRZSA-N 318.333 -0.298 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ncc(Cl)cn1 856839465 RQCSSFHONWEUKZ-UHFFFAOYSA-N 322.778 -0.305 50 20 DBGD Cc1cccc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 858408136 MVFSEGIDNBMTPW-NSHDSACASA-N 305.338 -0.458 50 20 DBGD O=C(Cc1ccc(F)cc1[N+](=O)[O-])NNC(=O)[C@@H]1CCC(=O)N1 862463571 HPYPACNFZCEASB-VIFPVBQESA-N 324.268 -0.298 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(C[C@H]2CCCO2)CC1 864536573 JKCBEWLWKSVZLX-OAHLLOKOSA-N 318.182 -0.697 50 20 DBGD C[C@H](O)CN(C)NC(=O)Cc1csc(N2CCOCC2)n1 910150567 SPBNRBAKHINRQJ-JTQLQIEISA-N 314.411 -0.134 50 20 DBGD CCn1c(NNC(=O)CS(C)(=O)=O)nc2ccccc2c1=O 919703275 UCNLTWZNJLQPHY-UHFFFAOYSA-N 324.362 -0.096 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)Cc2cccnc2)c1C 1115989204 VBQTWUPAXNBQAK-UHFFFAOYSA-N 315.333 -0.204 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)CC1CC1 1117734654 CYHVLPBWHRANIS-VIFPVBQESA-N 306.409 -0.146 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 1256008978 BTBULIHOTHTTQE-UHFFFAOYSA-N 306.200 -0.821 50 20 DBGD C[C@H](C(=O)NNC(=O)NC1CC1)S(=O)(=O)C1CCOCC1 1319380181 MTYAEABABHSXTB-MRVPVSSYSA-N 319.383 -0.539 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](CC(N)=O)C1CCOCC1 1320221878 ZSGDMITWPNYQAS-ONGXEEELSA-N 314.386 -0.808 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc[n+]1[O-] 1320714011 LPAQYHXOFRROLA-UHFFFAOYSA-N 310.310 -0.394 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 1321140120 WMBJEUTUTGSZOQ-UHFFFAOYSA-N 316.321 -0.178 50 20 DBGD N#CCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1324830205 WYYJFUXFYYDNQL-UHFFFAOYSA-N 300.282 -0.480 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1326110268 HTEWXMQMPIBSIL-NXEZZACHSA-N 303.384 -0.901 50 20 DBGD CN(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)Cc1ccccc1 1331805165 GDEBFARQJLIJCB-LBPRGKRZSA-N 304.350 -0.456 50 20 DBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 1337274320 LQAWEFOTOAXBFS-UWVGGRQHSA-N 309.322 -0.028 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CNC[C@H]12 1575106898 XQLJSGMMMWTFRS-OPRDCNLKSA-N 317.411 -0.797 50 20 DBGD CN1CCC[C@@](O)(CC(=O)NNC(=O)CCCCCN)C1 1578528329 GLIHZKAXWWXCEZ-CQSZACIVSA-N 300.403 -0.500 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CNOC2)cc1C 1579727688 XIPRUEKSOSNNEC-LLVKDONJSA-N 308.338 -0.084 50 20 DBGD CNC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 1591211826 CAGSKMKOYIUMJX-VHSXEESVSA-N 301.310 -0.070 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1592581155 OXZJOSLSYUZEEA-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(OCC(=O)O)cc1 1598196514 HBQXPTJAVCWIMI-UHFFFAOYSA-N 310.310 -0.136 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)c1 1603834303 HPEOXLNGRGQKQZ-UHFFFAOYSA-N 309.278 -0.493 50 20 DBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1604464559 VMGVWNLUBQCCPR-LBPRGKRZSA-N 311.250 -0.155 50 20 DBGD O=C(O)Cc1csc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 1608793006 LTBREHZQJAUSNU-UHFFFAOYSA-N 324.322 -0.111 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 1609768949 RKHSWHUJBQASOR-NKWVEPMBSA-N 318.330 -0.297 50 20 DBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1 26970728 HUZQPABTQSHGQV-UHFFFAOYSA-N 321.358 -0.231 50 20 DBGD COC(=O)CN(CC(=O)OC)S(=O)(=O)CCCCl 61876728 ILPYKFOUNMSXIO-UHFFFAOYSA-N 301.748 -0.407 50 20 DBGD CS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 127142652 JGDGGYSMPXYWRO-UHFFFAOYSA-N 321.218 -0.754 50 20 DBGD O=C(CN1C[C@H](O)C[C@H]1C(=O)O)NNC(=O)c1cccs1 228608582 ZYOWWVCCFGHXPN-SFYZADRCSA-N 313.335 -0.971 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CN(C)CCO1 266821037 ZFZBASLYXQVXLJ-CYBMUJFWSA-N 323.349 -0.448 50 20 DBGD C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNc1ccc(C(N)=O)nn1 268300201 WQANNBWYYVKCJT-ZJUUUORDSA-N 323.353 -0.007 50 20 DBGD COCCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 269431871 NHXPIJYQEGFQHT-UHFFFAOYSA-N 309.322 -0.027 50 20 DBGD COC(=O)Cc1cccc(S(=O)(=O)NNC(=O)N(C)C)c1 290738864 WXLBRUVLMDHWCF-UHFFFAOYSA-N 315.351 -0.133 50 20 DBGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)[C@@H]1CCCO1 294594047 IPQJPBUETUFQCF-LURJTMIESA-N 311.260 -0.230 50 20 DBGD O=C(CCNC(=O)c1cccc(B(O)O)c1)NC1CCCC1 584934778 SMCNSYOCYJMDIU-UHFFFAOYSA-N 304.155 -0.455 50 20 DBGD Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584970153 VGASRXCZRHMELT-LBPRGKRZSA-N 318.117 -0.389 50 20 DBGD CCCCN1C(=O)c2ccc(C(=O)NCB(O)O)cc2C1=O 585056613 RJQZFKIRNJSGQE-UHFFFAOYSA-N 304.111 -0.176 50 20 DBGD Cn1nc(C(=O)NNC(=O)COc2ccccc2O)ccc1=O 730781049 DEZITMALTFRCJU-UHFFFAOYSA-N 318.289 -0.674 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C[C@H](C)O)CC1 732201605 HQNUPTIDEDKYBC-STQMWFEESA-N 314.430 -0.433 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2COCCO2)C[C@@H](C)O1 732259536 GQRPMXYOKFZHDL-UTUOFQBUSA-N 315.370 -0.952 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1cccc(-c2nn[nH]n2)c1 738130229 OELUUGCDRTXCDK-SNVBAGLBSA-N 318.293 -0.957 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN(CC2CC2)C1 739037003 YAHVVSBPJVQWPL-LBPRGKRZSA-N 323.397 -0.577 50 20 DBGD COc1ccc(C(=O)NCCCC(=O)NNC(=O)CO)cc1 753442380 FVOABRARHASYRM-UHFFFAOYSA-N 309.322 -0.655 50 20 DBGD NC(=O)c1ccc(NNC(=O)CCOC[C@H]2CCCO2)nn1 757392339 LVPLWVHRXXUKSI-SECBINFHSA-N 309.326 -0.396 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CCSCC1 758036284 QAWUOQYVIZACAI-QMMMGPOBSA-N 323.440 -0.395 50 20 DBGD COC(=O)c1ccc(NNC(=O)Cn2cnc([N+](=O)[O-])n2)nc1 759737768 GGKAWBYXOFVUCL-UHFFFAOYSA-N 321.253 -0.489 50 20 DBGD O=C(NNc1cnccn1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 779843569 HHGIRGWCPIWNHH-NWDGAFQWSA-N 314.305 -0.110 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)COC(F)F 795956003 DJRRJOVNOSZEFD-UHFFFAOYSA-N 307.278 -0.136 50 20 DBGD CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@H]1CCNC1=O 799354578 UIDUSQCKJZTBIO-ZDUSSCGKSA-N 318.377 -0.034 50 20 DBGD CC(=NNC(=O)c1ccc(-n2cnnn2)cc1)c1cnnn1C 814755895 IEBGVUVUVFVKIG-UHFFFAOYSA-N 311.309 -0.055 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)c2ccccc2O)n1 816830756 SNWTWBOQSPZATK-UHFFFAOYSA-N 317.309 -0.700 50 20 DBGD O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)C(=O)NC1CC1 819194893 QICXNDBMLXUHQE-UHFFFAOYSA-N 320.305 -0.506 50 20 DBGD O=C(O)CCCCCNC(=O)NNC(=O)C(=O)N1CCCC1 819401189 BURPFLKOZPLKTF-UHFFFAOYSA-N 314.342 -0.416 50 20 DBGD C=C[C@H](O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 827855668 GGWBQNDNVFASER-QMMMGPOBSA-N 302.331 -0.612 50 20 DBGD CC(C)(C)C[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694960 CZENTXBMQNRWPU-BDAKNGLRSA-N 300.359 -0.608 50 20 DBGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cn[nH]c1)CS2 862473720 ZORCMSZNBWZGNS-PELKAZGASA-N 309.351 -0.375 50 20 DBGD CO[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCSC1 896014637 HRADQRKZVAVXHT-GFCCVEGCSA-N 301.368 -0.722 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)N1CCCC1=O 913730999 QLCPFOVHBPKLFV-JTQLQIEISA-N 310.354 -0.843 50 20 DBGD CC(C)n1ccc(CC(=O)NNC(=O)CN2CCCC2=O)n1 913731098 UGZFBOSQJJDBGK-UHFFFAOYSA-N 307.354 -0.224 50 20 DBGD O=C(CNC(=O)C1CC1)NNC(=O)c1ccc2c(c1)OCCO2 914857546 DDAOCYGTYIRHQQ-UHFFFAOYSA-N 319.317 -0.255 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O 915356165 CEMIDPQPYMNALC-ZETCQYMHSA-N 314.319 -0.391 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1cccnc1 915635663 WCOZTSDEDSWMBK-UHFFFAOYSA-N 304.306 -0.228 50 20 DBGD CCN1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1=O 925984771 WMVQQXDOLDBOTN-VWYCJHECSA-N 312.370 -0.247 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1Cl 1116599724 FDWMKBSAVTZXLC-UHFFFAOYSA-N 315.713 -0.183 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)c2nnnn2C)n1 1123737686 GVTPAAKOQKQFLW-SECBINFHSA-N 321.345 -0.885 50 20 DBGD COC[C@@H](C)CNC(=O)NNC(=O)C(=O)Nc1ccccn1 1319097728 HZRLFRUATLZXOM-VIFPVBQESA-N 309.326 -0.367 50 20 DBGD CS(=O)(=O)N1CCC(C(=O)NNc2ncncc2F)CC1 1324305558 XXFXXYOVHUEQLD-UHFFFAOYSA-N 317.346 -0.270 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCC(=O)NC1CCCC1 1329126078 DSJNMMIOTJEKBG-UHFFFAOYSA-N 319.383 -0.983 50 20 DBGD COCCC[C@@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1337365967 RTXIRGADMGOPGV-ZJUUUORDSA-N 321.399 -0.433 50 20 DBGD Cn1cc(/C=C\C(=O)NNc2nc(O)c3cnn(C)c3n2)cn1 1340733043 OQBDIKLHYYBGLR-ARJAWSKDSA-N 314.309 -0.041 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ncc(C(N)=O)cc1Cl 1343810438 CCEVISVEANFOHT-UHFFFAOYSA-N 300.702 -0.634 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1349077216 SWRNKSQRZYITOP-JBLDHEPKSA-N 324.381 -0.247 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1349433815 SCVWBEUAQMPLQA-DCAQKATOSA-N 318.395 -0.226 50 20 DBGD N#CCCC[C@H](N)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1580049238 LOFMOMVHKAUSEB-GWCFXTLKSA-N 318.333 -0.005 50 20 DBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNC(=O)c1ncon1 1580625677 CMYHIJOBQDPPOK-UHFFFAOYSA-N 315.253 -0.972 50 20 DBGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCN1 1580733151 NGZWDJOEKTYYIM-LLVKDONJSA-N 323.374 -0.498 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1CC(=O)O 1589908697 LWASFSAYNXZYPS-UHFFFAOYSA-N 322.321 -0.055 50 20 DBGD O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C(=O)NC1CC1 1593160851 UVRKXTZHIMXRIN-UHFFFAOYSA-N 322.716 -0.363 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)N1 1602637740 FVPJILYWWQXZHY-IGORNWKESA-N 324.337 -0.905 50 20 DBGD CN(C)N(C(=O)[C@H]1COCCO1)c1nc(CC(=O)O)cs1 1606036914 HKHOJOFJHOLHSM-SECBINFHSA-N 315.351 -0.005 50 20 DBGD N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NNc1nc[nH]n1 1606337077 CWWABVQQPHETLW-SNVBAGLBSA-N 324.308 -0.190 50 20 DBGD COCC(=O)NNC(=O)Nc1nnc(CCCC(=O)O)s1 1606774578 SVKSMDTVTIHDFC-UHFFFAOYSA-N 317.327 -0.256 50 20 DBGD CC(C)C(=O)NNC(=O)CN(CCC(=O)O)C[C@@H]1CCCO1 1609682926 YIAZFNMVFBIZQB-NSHDSACASA-N 315.370 -0.255 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1cncc(C(=O)O)c1 1610608510 JWXTYGKSKZICFY-UHFFFAOYSA-N 324.318 -0.258 50 20 DBGD C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1791051603 XBVCXBSODCLBMY-QHZLYTNSSA-N 322.764 -0.119 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CN(C)C)N1C[C@H](C)O[C@H](C)C1 113427557 JRLPVCDDPFJJPO-SCRDCRAPSA-N 314.430 -0.171 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)NCc1ccc(Cl)cc1 176694284 PVTIQCOVGSQKAF-UHFFFAOYSA-N 309.717 -0.143 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 264411005 QHQGSHQKPUGMMJ-LLVKDONJSA-N 302.290 -0.637 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1cccc(N(C)C)c1 267687096 NLAKGJIRFALMHX-UHFFFAOYSA-N 314.367 -0.937 50 20 DBGD COC(=O)C[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 268662036 DSNCOPUNCAWRNO-VIFPVBQESA-N 322.321 -0.842 50 20 DBGD Cc1ccnc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 273377339 GDRKYSVJOCMOBE-MRVPVSSYSA-N 315.355 -0.520 50 20 DBGD COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 274107092 YHTZGYAZWQVYOE-UHFFFAOYSA-N 324.337 -0.649 50 20 DBGD CN(NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(N)=O 276240188 ZVRFTNXGKYYZOV-QWRGUYRKSA-N 310.354 -0.531 50 20 DBGD Cc1cc(OCC(=O)NNC(=O)CN(C)C)ccc1[N+](=O)[O-] 281555187 NLWPGNPUMKFLAQ-UHFFFAOYSA-N 310.310 -0.009 50 20 DBGD COC(=O)N(C)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 286224446 FTIUYXPBVZHXEK-NSHDSACASA-N 319.321 -0.164 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccnn2CC(F)F)CC1 287763931 JHTNGJUBKUXMAU-UHFFFAOYSA-N 316.312 -0.250 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCOC[C@H]1C#N 298749944 WJCYXOMZBQQJCR-CQSZACIVSA-N 316.361 -0.091 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ncccn2)C1 299036284 REBDGKFLYWEZGG-SNVBAGLBSA-N 313.383 -0.019 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 370324673 JFYANYXVNGBTGQ-SNVBAGLBSA-N 311.725 -0.167 50 20 DBGD NC(=O)C[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584955668 SQKNCFCEJXLRDF-SECBINFHSA-N 308.118 -0.767 50 20 DBGD CC(C)C(=O)NCCCNC(=O)c1cc(B(O)O)ccc1F 584966583 FSCDCNCFGNJHNI-UHFFFAOYSA-N 310.134 -0.602 50 20 DBGD CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(B(O)O)cc2)C1 585027584 BRHPYMXVKJIZRN-KBPBESRZSA-N 311.212 -0.188 50 20 DBGD CCCS(=O)(=O)Nc1ccc(C(=O)NCB(O)O)cc1 585063054 YPWUJXRDCHGUTC-UHFFFAOYSA-N 300.145 -0.420 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C(=O)O)CC1 736670528 LURNOMSUBLIDAF-SSDOTTSWSA-N 306.344 -0.830 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCn1ccccc1=O 740850973 JHWPMVCTTISNNK-UHFFFAOYSA-N 322.365 -0.309 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)C1CCC1)N1CCCS1(=O)=O 772693499 MTJSOBUOJPOCAT-NSHDSACASA-N 317.411 -0.006 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1ccc2c(c1)NC(=O)CO2 788708324 GRAKXYQGPLMQDM-UHFFFAOYSA-N 304.306 -0.008 50 20 DBGD O=C(NN=Cc1cc(CO)ccc1O)[C@@H]1CCS(=O)(=O)C1 814781439 JMSVROWUDQPXDT-SNVBAGLBSA-N 312.347 -0.231 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NN(C)[C@@H](C)CO)c1 823988441 SIBSPTBTLHEALH-JTQLQIEISA-N 315.395 -0.058 50 20 DBGD CCc1nncn1CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826109571 ZIFIHODNJQSIFB-UWVGGRQHSA-N 310.358 -0.404 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(-n2cncn2)c1 843645326 MRYBCFKDTVYYFC-KOLCDFICSA-N 316.321 -0.152 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1COCCN1CC(F)F 843970441 GATZJQVZDYMQDR-LPEHRKFASA-N 321.324 -0.475 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 845435660 PWZWDNROIWEPKS-JTQLQIEISA-N 308.319 -0.989 50 20 DBGD Cc1nn(CC(=O)NNC(=O)c2ccc(Cl)nc2)c(=O)n1C 847351333 QONJBPFQVLWOBS-UHFFFAOYSA-N 324.728 -0.600 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 854388770 XJMVZDSWTFKVRF-RKDXNWHRSA-N 301.343 -0.566 50 20 DBGD C[C@H](NC(=S)NNC(=O)C1(S(N)(=O)=O)CC1)C1CC1 855096785 DODVSKVRBMFGBN-LURJTMIESA-N 306.413 -0.899 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)OCC(F)(F)F)S(N)(=O)=O 856019593 YDZCXCCUAARJJK-YFKPBYRVSA-N 321.277 -0.237 50 20 DBGD CCCN1CC[C@@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858282483 ZFYQXZWLYAUVNZ-WDEREUQCSA-N 311.386 -0.673 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)C(=O)OC3)N1 861120870 KJAVACHLSNEKEO-JTQLQIEISA-N 318.289 -0.212 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(F)cc3nn[nH]c23)N1 862458713 HWFKTAMYDVZFMR-ZETCQYMHSA-N 306.257 -0.863 50 20 DBGD CN(CC(=O)NNC(=O)CS(C)(=O)=O)C(=O)OC(C)(C)C 863461549 MQLXGISONURUAU-UHFFFAOYSA-N 323.371 -0.955 50 20 DBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)CC1(C)OCCO1 863874284 UBGYZXRKNCNPKP-NSHDSACASA-N 307.155 -0.115 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 863874328 PEGTXFBQWDLHHP-GJZGRUSLSA-N 318.182 -0.962 50 20 DBGD CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863882763 MKANLDKEXBZJNR-ZDUSSCGKSA-N 320.154 -0.283 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CCC(=O)NC1 1118758289 BFDRQXLVCACDSQ-JTQLQIEISA-N 315.370 -0.161 50 20 DBGD Cc1nc(CC(=O)NNC(=O)CS(C)(=O)=O)c(C)s1 1118955133 WWGQQDHNVOJOPQ-UHFFFAOYSA-N 305.381 -0.506 50 20 DBGD CO[C@H]1CCOc2c(NC(=O)C(=O)NNC(=O)CO)cccc21 1321034664 KSUSZYIKAJCNFW-JTQLQIEISA-N 323.305 -0.765 50 20 DBGD Cn1ccc(CCNC(=O)NNC(=O)Cc2ccncc2)n1 1323877634 NECLACYWHXNEQF-UHFFFAOYSA-N 302.338 -0.069 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2oc(O)nc2c1 1324063230 ZTEOWBLVBJGMEM-UHFFFAOYSA-N 306.278 -0.181 50 20 DBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[C@H](B(O)O)C1 1330262064 KOZXHOXYJNLSLU-QMMMGPOBSA-N 305.099 -0.476 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1332469675 MKPLIGXHZKOSAS-NXEZZACHSA-N 308.400 -0.688 50 20 DBGD Cn1nc(C(=O)NNC(=O)C(=O)NC2CC2)c2ccccc21 1348458263 JTHCVRLSTOGACP-UHFFFAOYSA-N 301.306 -0.387 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1349008759 RJXBSBHYWATDDF-SECBINFHSA-N 307.310 -0.801 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)COc1cc(C)ccc1C 1574103773 ANMWSPZELCCKON-LBPRGKRZSA-N 310.306 -0.071 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cncc(C(=O)O)c1 1588631000 XIKALUHVTMINBN-UHFFFAOYSA-N 308.294 -0.088 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1592499713 APYZTVGKAUQQGT-POYBYMJQSA-N 320.309 -0.046 50 20 DBGD O=C(NN[C@@H](C(=O)O)C1CC1)c1ccc(-n2cnnn2)cc1 1601557326 KOAUMFZHXGQESU-LLVKDONJSA-N 302.294 -0.240 50 20 DBGD C#CCCCC(=O)NNC(=O)COCc1ocnc1C(=O)O 1602701313 FIVJRTFRIMHSGJ-UHFFFAOYSA-N 309.278 -0.160 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@]2(CC(C(=O)O)=NO2)C1 1604860199 SPECITKRKVGUBL-ISVAXAHUSA-N 312.326 -0.762 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNC(=O)c1cccnn1 1606592515 ZRIZNAYDPMFATJ-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)CCCCCl 1610150533 GMLFVPORAJMFIM-SSDOTTSWSA-N 301.748 -0.059 50 20 DBGD O=C1CC(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1846987183 AQEJDUXXXFXOFI-NSHDSACASA-N 314.769 -0.231 50 20 DBGD C=CCCOCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 148624505 IWYHXJLXQZZZRL-SECBINFHSA-N 305.356 -0.903 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1=O 266933815 OAQDKGRFAMINGA-JTQLQIEISA-N 315.333 -0.498 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)OCC(F)(F)F 276227225 JEGKVKIJHLFXRD-UHFFFAOYSA-N 301.221 -0.807 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)C(=O)N1CCCC1 299515239 VDRJAXHMDJIXHJ-UHFFFAOYSA-N 315.333 -0.194 50 20 DBGD CC(=O)NNS(=O)(=O)c1nc(C)n(C)c1Br 380667586 ZWTYFUPCXSJHJD-UHFFFAOYSA-N 311.161 -0.180 50 20 DBGD N#C/C(=C/c1ccc(O)cc1)C(=O)NCCN1C(=O)CNC1=O 490873620 DNLYILMBNNCHEC-XFFZJAGNSA-N 314.301 -0.033 50 20 DBGD CN1CCN(CC(=O)NN(C)C(=O)OC(C)(C)C)CC1=O 497014013 YFLGVCQIFWEFHB-UHFFFAOYSA-N 300.359 -0.342 50 20 DBGD CCCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584960451 KXWQTGSGJQJLNP-CYBMUJFWSA-N 322.145 -0.364 50 20 DBGD O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(B(O)O)cc1 584968523 LPGWCAYNPDLJTQ-LSDHHAIUSA-N 318.182 -0.651 50 20 DBGD C[C@H](CO)N1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584980063 PGGGULOFKVKJFP-LLVKDONJSA-N 324.161 -0.966 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@H]1[C@@H]1CCCO1 584988291 JZYQJWUWYXKIPY-KBPBESRZSA-N 323.129 -0.475 50 20 DBGD CC(C)(C)c1n[nH]c(CNC(=O)c2cc(B(O)O)ccc2F)n1 584999587 XDXVKAILWOEJOC-UHFFFAOYSA-N 320.133 -0.149 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](n2ccnn2)C1 585000479 KTVXLQMWEOOXTL-CYBMUJFWSA-N 300.127 -0.565 50 20 DBGD CN(CCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(=O)O 737416662 CMXKLCBPEAWAAG-JTQLQIEISA-N 321.399 -0.131 50 20 DBGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)C(=O)NC1CC1 741462405 OLMAFOVKVXBJKU-SNVBAGLBSA-N 301.368 -0.276 50 20 DBGD NS(=O)(=O)c1cnn(CC(=O)NNc2cccc(F)c2)c1 749267428 FSQMXXSIBVLGFL-UHFFFAOYSA-N 313.314 -0.187 50 20 DBGD CN1C[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)CC1=O 750652578 DTLYNYSFJHNSIH-SECBINFHSA-N 316.325 -0.481 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2cc(C)[nH]n2)n1 756648478 WYOCSPXBIDRMOC-UHFFFAOYSA-N 321.297 -0.446 50 20 DBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)Cc1cc[nH]n1 758074402 TXITVWDTAKQLQA-UHFFFAOYSA-N 317.305 -0.765 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2coc(C(N)=O)c2)n1 758998848 ROJQQUDFQGMDEX-UHFFFAOYSA-N 305.294 -0.347 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)n[nH]1 768275883 CCTBLUGBWDEGEI-SNVBAGLBSA-N 307.354 -0.016 50 20 DBGD COc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 780225341 JRPUTMGOTPVTHA-QMMMGPOBSA-N 300.340 -0.522 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc2c[nH]nc2cc1C 792267219 XBRCHGNWFOWURJ-UHFFFAOYSA-N 305.294 -0.396 50 20 DBGD CCOC(=O)[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 822764908 REUFGGGPVZIHNM-NSHDSACASA-N 314.386 -0.190 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)c2c[nH]nc2C)CC1 826755665 ZLTGNNYKHHPDRG-UHFFFAOYSA-N 309.326 -0.042 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCOC1)c1cc(-c2ccccc2)[nH]n1 840238319 DLBCHAJNAWYCOB-OAHLLOKOSA-N 316.317 -0.011 50 20 DBGD Cc1c(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1C 842589935 LTTVAZBUWSDAML-DTWKUNHWSA-N 302.356 -0.537 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCN1C(=O)CCC1=O 843642694 GHAYSZRQURFEAM-ZJUUUORDSA-N 311.338 -0.512 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843980184 RPDXKDATKCTQED-GXSJLCMTSA-N 309.322 -0.110 50 20 DBGD CC(C)[C@@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(=O)O 848591308 BDEZOEKJHVIUDX-BXKDBHETSA-N 321.399 -0.276 50 20 DBGD CNC[C@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 851681659 QJLXCVKJOBPYIH-VIFPVBQESA-N 318.341 -0.786 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 854926811 MGTXAVFWIYALLP-QMMMGPOBSA-N 308.429 -0.732 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CN1C1CC1 858289227 WIPJTHFBVITVGL-KKZNHRDASA-N 309.370 -0.779 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2COc3ccccc3C2)N1 858694542 QWSBGJJYQVXVSN-GHMZBOCLSA-N 318.333 -0.401 50 20 DBGD COCCOc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862456073 UVWSQNMJNGJPFY-GFCCVEGCSA-N 321.333 -0.249 50 20 DBGD O=C(NC1CCC2(CC1)OCCO2)c1cccc(B(O)O)c1 863869483 PBPWJWOHALHROI-UHFFFAOYSA-N 305.139 -0.218 50 20 DBGD Cc1nn(CC(=O)NNC(=S)NC(C)(C)C)c(=O)n1C 899999680 SMFOBFSRUMJEMU-UHFFFAOYSA-N 300.388 -0.816 50 20 DBGD CN(C)[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)C12CCC2 912600615 CPEDEUWNDJKBBV-ZIAGYGMSSA-N 302.183 -0.031 50 20 DBGD COc1ccnc(NNC(=O)[C@@]23CCC(=O)N2CCS3)n1 914762496 HPEYVFKYIAIARU-LBPRGKRZSA-N 309.351 -0.006 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CCNS(C)(=O)=O)cc1 914878574 IKOLPDWUSFPUBT-UHFFFAOYSA-N 313.379 -0.051 50 20 DBGD O=C(NN=C1CN2CCC1CC2)N[C@@H]1CCS(=O)(=O)C1 920384457 LERINMXYULCQNW-SNVBAGLBSA-N 300.384 -0.446 50 20 DBGD CCCNC(=O)NNC(=O)CN(C)c1ncnc2[nH]cnc12 921038408 ZBSWGUCBVBIWCZ-UHFFFAOYSA-N 306.330 -0.471 50 20 DBGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)CCO)cn1 1116599759 GOQWKVJRGRWLKX-UHFFFAOYSA-N 324.337 -0.415 50 20 DBGD C[C@]1(NNC(=O)N[C@H]2CC[C@H](O)CC2)CCS(=O)(=O)C1 1118002863 IHGRHECMPIEVNM-NHCYSSNCSA-N 305.400 -0.329 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1261497603 FHRGENLFLRJNSC-SCZZXKLOSA-N 307.354 -0.193 50 20 DBGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNc2cccnn2)C1 1319459628 LYQOLEKRXWCAKY-VIFPVBQESA-N 314.371 -0.616 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1 1320240032 RUTOFYGHWGTOGZ-UHFFFAOYSA-N 317.305 -0.253 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 1320247140 QEWZHZLXUBLSSK-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)C(C)C)cn1C 1320519920 ASNBNUSUCCFMFY-UHFFFAOYSA-N 310.310 -0.446 50 20 DBGD CCc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1C 1323642779 WKPJPSGJTVLXTG-MRVPVSSYSA-N 314.367 -0.822 50 20 DBGD C[S@@](=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1329202223 XJSRCVXWKAJRCM-CHNSCGDPSA-N 309.347 -0.536 50 20 DBGD O=C(NNC(=O)c1cc(O)cs1)N[C@H]1CCS(=O)(=O)C1 1333884879 LWXDGJYENNQJFI-LURJTMIESA-N 319.364 -0.415 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2nccnc2Cl)nn1 1339110483 IJWMAEMRNMLWSR-UHFFFAOYSA-N 324.732 -0.433 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)CCCc2cnn[nH]2)no1 1576921226 DBWFRDNBBUOSMB-UHFFFAOYSA-N 322.281 -0.637 50 20 DBGD O=C(O)CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCC1 1594976163 BIQYNEPPDOUMCI-UHFFFAOYSA-N 323.305 -0.198 50 20 DBGD O=C(NCc1ccccc1C(=O)O)NNC(=O)[C@@H]1COCCO1 1605808722 YIDPSKVYWSXDAU-NSHDSACASA-N 323.305 -0.369 50 20 DBGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1C[C@@H](C(=O)O)C1 1605814705 PCCVAQWZYNPJQM-OCAPTIKFSA-N 321.293 -0.786 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1606014204 QTKBVCZPERCWHC-UHFFFAOYSA-N 315.297 -0.390 50 20 DBGD N#CCN(CC(=O)O)CC(=O)NNC(=O)c1cccc(C#N)c1 1608183775 KWKITEQQEJRZMV-UHFFFAOYSA-N 315.289 -0.771 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1C[C@H]1C(=O)O 1608478998 FOYDBTRFGGKXPE-VAOFZXAKSA-N 306.274 -0.306 50 20 DBGD O=C(O)CNC(=O)NN=CCN1C(=O)c2ccccc2C1=O 1608754157 KTGVEEXPVFQIIF-UHFFFAOYSA-N 304.262 -0.348 50 20 DBGD O=C(O)C[C@H]1CN(S(=O)(=O)CBr)CCO1 1610764492 OLSRANXDBNODII-LURJTMIESA-N 302.146 -0.156 50 20 DBGD NC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2 1796778888 JRAVLGTYOZVHGG-CVPUBMOQSA-N 306.769 -0.555 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)n(C)n1 111544328 RZIZNCJBLIKYOA-RYUDHWBXSA-N 323.397 -0.011 50 20 DBGD COCCn1cc(S(=O)(=O)NNC(=O)C(C)(C)C)cn1 269620418 MWWODMKUXTWNRS-UHFFFAOYSA-N 304.372 -0.115 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cc1 276674307 VEZGLMQNCBAYHP-RYUDHWBXSA-N 320.349 -0.413 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 298418245 NIWMHJSVEWAOOL-UHFFFAOYSA-N 323.305 -0.083 50 20 DBGD CN(C)C(=O)N1CCC(C(=O)Nc2cccc(B(O)O)c2)CC1 404943540 AGOMNNQMRJORHS-UHFFFAOYSA-N 319.170 -0.302 50 20 DBGD Cn1cnc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n1 496556423 ZJJQXUYMIWPQQO-UHFFFAOYSA-N 312.330 -0.509 50 20 DBGD COC(=O)NNC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 496773315 HNPOSZOFDZXBQO-UHFFFAOYSA-N 322.281 -0.231 50 20 DBGD C[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CN1C1CC1 584957680 KMTIOVGSEPSHCT-KOLCDFICSA-N 306.146 -0.140 50 20 DBGD CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(B(O)O)cc2)C1 584964936 LURZHDQFAHKVMG-HIFRSBDPSA-N 302.183 -0.077 50 20 DBGD CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCB(O)O 585056381 UGXHKAOEEAXHSI-GFCCVEGCSA-N 307.159 -0.361 50 20 DBGD CN(C)c1nccc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 740107941 RDXSVKSOIFVANN-VIFPVBQESA-N 304.354 -0.003 50 20 DBGD COCCCNC(=O)NNC(=O)[C@]1(C)CCN(C(C)=O)C1 746839202 UPFNDZKCGLMDRO-CYBMUJFWSA-N 300.359 -0.388 50 20 DBGD COc1ccc(-n2nc(C(=O)NNC(=O)CO)cc2C)cc1 753438856 GZBNRVUIQDPYFQ-UHFFFAOYSA-N 304.306 -0.057 50 20 DBGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)C2CCC2)o1 753610453 OEJDUJYNPDORSP-UHFFFAOYSA-N 315.351 -0.110 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 758000097 CHRRCNSFESNTDO-VIFPVBQESA-N 312.351 -0.023 50 20 DBGD O=C(NCC1(N2CCOCC2)CC1)NNC(=O)c1ccc[nH]1 765638230 XTTRUZIGNXXTHN-UHFFFAOYSA-N 307.354 -0.177 50 20 DBGD COc1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cn1 780214016 WQGQIPJYNLSCQB-JTQLQIEISA-N 312.351 -0.090 50 20 DBGD O=C(Cc1ncc[nH]1)NNC(=O)[C@@H]1COc2ccccc2O1 816814589 WMAGNCUCNCTWQM-NSHDSACASA-N 302.290 -0.060 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H](C)CC(=O)O)c1 825923000 OMACYHRWLOMUIF-ZETCQYMHSA-N 308.294 -0.088 50 20 DBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842590718 QZGGWFDGYJYTLF-RKDXNWHRSA-N 302.356 -0.537 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C 843641264 FWRGVQOBUJSLNR-NXEZZACHSA-N 308.338 -0.417 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2COCCN2)cc1 861680639 KDVWQPKMENWRFA-LBPRGKRZSA-N 322.365 -0.307 50 20 DBGD Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 861947563 ZQSMKMLVQRDMQY-SNVBAGLBSA-N 322.296 -0.501 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1csc([N+](=O)[O-])c1 863459994 LIQDIBFUPUGYOF-UHFFFAOYSA-N 307.309 -0.538 50 20 DBGD COc1ccc(C=O)c(OCC(=O)N2CC[C@@H](B(O)O)C2)c1 874970299 UDFQBZWNJPGYDX-LLVKDONJSA-N 307.111 -0.038 50 20 DBGD O=C(NNC(=O)C1=NO[C@H](c2ccccc2)C1)C(=O)NC1CC1 919694269 SFZLQTPURJPINU-LBPRGKRZSA-N 316.317 -0.070 50 20 DBGD COC(=O)[C@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 925188669 MRLYRAQFFPVJNP-LLVKDONJSA-N 309.152 -0.903 50 20 DBGD COC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)OC)s1 1320258935 KNWIAACIMMRPAU-UHFFFAOYSA-N 316.295 -0.250 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C)ccn(C)c1=O 1320519931 BIZKUPWGEYKBCE-QMMMGPOBSA-N 308.338 -0.174 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 1320725173 IRLMFSMKTSBNMX-UHFFFAOYSA-N 321.337 -0.275 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1ccccc1OC 1321683447 MXJNFBMIVMIDJZ-UHFFFAOYSA-N 309.322 -0.391 50 20 DBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1 1340427419 HUWHVUQOWZTASJ-GFCCVEGCSA-N 319.365 -0.035 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CC1)[C@@H]1CCN1C1CCOCC1 1605814527 FVZXUBJXVQDYMX-JTQLQIEISA-N 311.338 -0.748 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)NC2CC2)C1=O 68266699 VQIDDUJAZNKXTM-ZDUSSCGKSA-N 309.326 -0.800 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)NC(N)=O 70718119 CBQPXAPPJZGZSM-VIFPVBQESA-N 324.337 -0.332 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2nc3ccccn3c2=O)o1 176209217 YYHFSWYNSRQRJJ-UHFFFAOYSA-N 315.289 -0.141 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)CC1=O 267547792 CXFMNAYYMYFHAH-LLVKDONJSA-N 308.313 -0.071 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1 278034320 VACVLQHNNHBJAE-UHFFFAOYSA-N 313.741 -0.012 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 282964013 RNTCRRKBNXLLIU-UHFFFAOYSA-N 323.309 -0.098 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc21)C(=O)N1CCCC1 369292131 FQTQLWBFWGWWOG-LLVKDONJSA-N 303.318 -0.068 50 20 DBGD COCCCNC(=O)NNC(=O)C1(O)Cc2ccccc2C1 377967718 ZUTJIGLGFBDWRZ-UHFFFAOYSA-N 307.350 -0.117 50 20 DBGD COC(=O)N(C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 490579694 XCMZTTJXQBPIJV-SECBINFHSA-N 307.372 -0.823 50 20 DBGD CC(C)NC(=O)NNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 497243006 JMKGEJBICDTHCV-UHFFFAOYSA-N 316.358 -0.293 50 20 DBGD CC(C)(CNC(=O)c1cc(B(O)O)ccc1F)N1CCOCC1 584924737 LPVAUVJYVPDPQM-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(B(O)O)c1 584977483 QNCBCOGYEDNLGF-LBPRGKRZSA-N 320.198 -0.716 50 20 DBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)c1nncn1C 584979018 IWLZHWDIASCJJI-QMMMGPOBSA-N 306.106 -0.833 50 20 DBGD CN1C[C@H]2CC[C@H](CC1=O)N2C(=O)c1ccc(B(O)O)cc1 584996590 MMONEZODVSKAGX-CHWSQXEVSA-N 302.139 -0.798 50 20 DBGD Cn1cc(N2CCC[C@H](NCc3ccc(B(O)O)o3)C2)cn1 585027218 PEDYTWALJGUAHJ-NSHDSACASA-N 304.159 -0.549 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNCc2cccc(B(O)O)c2)O1 585034550 MDEXCEIMPCVRSV-ZIAGYGMSSA-N 306.171 -0.908 50 20 DBGD CN(C)c1nccc(NNC(=O)CCN2C(=O)CCC2=O)n1 740107157 DMVXMHKTWQEXSX-UHFFFAOYSA-N 306.326 -0.475 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2COCCO2)c1 744718070 ALTSDCIKTHIHRV-LBPRGKRZSA-N 322.317 -0.285 50 20 DBGD CN(C)c1ccc(NC(=O)NNC(=O)Cn2cnnn2)cc1 750305827 PCKAQFWYSDURAR-UHFFFAOYSA-N 304.314 -0.408 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CN(C)CCN2C)o1 752374406 NYHSUJCGPQDRGX-LLVKDONJSA-N 309.370 -0.222 50 20 DBGD CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)CO)c1 753438314 MKIADBQXXMBQHE-UHFFFAOYSA-N 315.351 -0.408 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)COc1cccc(C)c1 758061153 WFLMPQAKYHMETL-UHFFFAOYSA-N 323.349 -0.374 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2ccc(-n3ccnn3)cc2)nn1 760689677 LNNRKLVIBPFWPH-UHFFFAOYSA-N 324.304 -0.087 50 20 DBGD COc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)CO 764428587 HRJBJURUBJNXTA-UHFFFAOYSA-N 301.686 -0.573 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(F)cn1 770606925 OLFBOHUGESDIJW-MRVPVSSYSA-N 302.331 -0.001 50 20 DBGD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NNC(C)=O 775249572 VSTNKBHZNVVDSK-UHFFFAOYSA-N 317.279 -0.289 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ncccc2C)C1=O 791222441 JJBCAEDQTZSVCI-UHFFFAOYSA-N 317.305 -0.190 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)o1 794383161 MNBCCBQNQQNWSV-UHFFFAOYSA-N 313.273 -0.263 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(CCO)C[C@@H](C)O)c1 810039960 KHHOLGPCSPYZKB-GFCCVEGCSA-N 309.366 -0.569 50 20 DBGD O=C(COc1ccccc1F)NN=C1C(=O)NC(=O)NC1=O 814214008 YVCFULYTPFPXCN-UHFFFAOYSA-N 308.225 -0.957 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(Cl)nc1C(=O)O 831206405 GOVUCDSOVRAYOW-UHFFFAOYSA-N 309.687 -0.018 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 831790196 JMVNWGOUTNEHJL-QMMMGPOBSA-N 305.331 -0.680 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCOC1)c1cc(-c2ccccc2)[nH]n1 840238309 DLBCHAJNAWYCOB-HNNXBMFYSA-N 316.317 -0.011 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)N1CCOCC1 843778654 HUNXAUAHMMPGDT-UHFFFAOYSA-N 308.342 -0.692 50 20 DBGD COc1cc(C)nc(NNC(=O)Cn2nc(C)n(C)c2=O)n1 847541373 AWEOUNKQTYIPIV-UHFFFAOYSA-N 307.314 -0.859 50 20 DBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)[C@@H]1COc2ccccc2O1 854179904 HYYORTRAIRXDLH-KWQFWETISA-N 305.290 -0.748 50 20 DBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cc[nH]n1 855358502 MFOWBPUAEUQNIK-SECBINFHSA-N 311.367 -0.128 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NC[C@@]1(C)C[C@@H]1Br 857402630 PLPUNKHYUATAKD-GZMMTYOYSA-N 320.187 -0.472 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCc2ccccc21 862453264 JXZNXYXGMJZTIE-JQWIXIFHSA-N 316.361 -0.136 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCc3cccnc32)N1 862459379 SEMLEFPWWWEAPS-GHMZBOCLSA-N 302.334 -0.073 50 20 DBGD CCCCCCN(C)CC(=O)NNC(=O)CS(C)(=O)=O 863461314 CLBWHGXCZJAGMH-UHFFFAOYSA-N 307.416 -0.310 50 20 DBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1=O 883413817 CSPVWEXYTOUHGV-NSHDSACASA-N 312.370 -0.247 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2 913729826 ANNPBZPTTIXGNG-JRKPZEMJSA-N 315.757 -0.315 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1116598172 XYJUESNXYYYGBO-VIFPVBQESA-N 320.349 -0.154 50 20 DBGD C[C@@H]1OCC[C@@]12CN(C(=O)NNC(=O)c1cn[nH]c1)CCO2 1118864632 REKBHIGKCXNVMG-TVQRCGJNSA-N 309.326 -0.356 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)Cc1cccnc1 1318318391 MRSFLVXXYXABDP-UHFFFAOYSA-N 304.306 -0.689 50 20 DBGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)c1cnn(C)c1 1322801039 QAFLFOQJWWEWBX-UHFFFAOYSA-N 310.358 -0.474 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 1323435218 XEIZJLAPBARXJI-GHMZBOCLSA-N 314.386 -0.142 50 20 DBGD Cc1cc(C)nc(-n2nccc2NC(=O)NNC(=O)CCO)n1 1326220768 WQPHNQXUOPDJDW-UHFFFAOYSA-N 319.325 -0.186 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCCS(C)(=O)=O 1328143052 MTHVEDLQWVVYSP-NXEZZACHSA-N 321.399 -0.433 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)c1cccc(F)n1 1328409126 ADBNQOLGLRSYNL-UHFFFAOYSA-N 311.317 -0.063 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1345733786 UNBLUYRTZCKBJC-IQJOONFLSA-N 310.354 -0.495 50 20 DBGD CC(C)NC(=S)NNC(=O)C1([S@](C)=O)CCNCC1 1575721956 COMLQRXUTJCCEB-IBGZPJMESA-N 306.457 -0.609 50 20 DBGD CC(C)NCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1575727668 KKWAHNFBBOTFOC-UHFFFAOYSA-N 313.379 -0.151 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl 1589882496 OGNNUWVPWNBWPF-ZCFIWIBFSA-N 311.733 -0.128 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)NCC(=O)O)ccc1C#N 1600300150 AMQGSBNTVCSOMP-UHFFFAOYSA-N 312.307 -0.556 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1603995685 QJHVJEPZVQEPOR-ZCFIWIBFSA-N 307.318 -0.201 50 20 DBGD COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)CBr 1606326600 ZDVONNNNCRKUEF-SCSAIBSYSA-N 304.118 -0.726 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(N2CCOCC2)c(F)c1 113427840 OOCCINQNUOOAAX-UHFFFAOYSA-N 324.356 -0.015 50 20 DBGD COc1ccccc1CC(=O)NNC(=S)NCC(=O)N(C)C 138482196 BSEJAVGEBZOHMA-UHFFFAOYSA-N 324.406 -0.179 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)c2cc(C)n[nH]2)c1[N+](=O)[O-] 268976009 ADOBKVXEXKKERU-UHFFFAOYSA-N 307.270 -0.013 50 20 DBGD Cc1nc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 273522137 SSLSRHFTGOMJBE-LURJTMIESA-N 320.396 -0.541 50 20 DBGD C[C@H]1CO[C@@H](CO)CN1CC(=O)NNC(=O)c1ccccc1 318857743 BJVQMJRYWZIOIL-WCQYABFASA-N 307.350 -0.471 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 371476061 UJGQGSKTYLCSML-JTQLQIEISA-N 305.338 -0.268 50 20 DBGD O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1ccc(B(O)O)c(F)c1 584963835 ZGLACDSVIDUXMH-CITXGKJTSA-N 307.130 -0.358 50 20 DBGD CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584965259 ORRQAKBDOGEWBP-GFCCVEGCSA-N 308.118 -0.754 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](n2ccnn2)C1 584999819 DVRSBCSRVWVZGH-LLVKDONJSA-N 318.117 -0.426 50 20 DBGD COCC(=O)N1CCC(NCc2ccc(B(O)O)cc2F)CC1 585023753 LTAPQJZXVUVVCP-UHFFFAOYSA-N 324.161 -0.768 50 20 DBGD CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585030085 WEWFMXHLYRITHG-GXSJLCMTSA-N 301.173 -0.595 50 20 DBGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cnn[nH]2)c1C 729456374 GURQTVPGJPUODW-UHFFFAOYSA-N 306.282 -0.389 50 20 DBGD COCCn1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)cn1 743430734 KDVRIPNYLPKZFL-CYBMUJFWSA-N 323.397 -0.052 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCO[C@H](C#N)C2)c1 744397728 DPKOWPQEIVUMPF-CYBMUJFWSA-N 302.334 -0.020 50 20 DBGD Cc1nn(C)c(C(=O)NNC(=O)N2CCOCC2)c1[N+](=O)[O-] 745996395 VXXGALWBXBRUIW-UHFFFAOYSA-N 312.286 -0.677 50 20 DBGD CN(C)CCNC(=S)NNC(=O)Cc1cn2ccccc2n1 747662123 HXAOQULJGXYWDD-UHFFFAOYSA-N 320.422 -0.066 50 20 DBGD O=C(NCCCOCC1CC1)NNC(=O)C(=O)N1CCCC1 748445563 AEPSVMYSRMKQQO-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(NS(C)(=O)=O)cc1 756707941 QXONUYNPUPHRMF-UHFFFAOYSA-N 316.339 -0.143 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 760335590 UQONRVWHNPJBDA-UHFFFAOYSA-N 324.355 -0.051 50 20 DBGD CCCCOc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764420990 IJRLFFOTIZBULH-UHFFFAOYSA-N 309.322 -0.056 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(C(C)=O)C1 771964065 SEWDNRSNJANLCW-GXSJLCMTSA-N 313.354 -0.266 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2ncncc2Cl)nn1 781836118 JMWLINMCOUCUMK-UHFFFAOYSA-N 311.689 -0.349 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1 789856631 IUTLYXVXICGHRC-UHFFFAOYSA-N 304.306 -0.831 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C[C@H]2SC(=N)NC2=O)n1 794084501 FMHSPBUYQXEMOP-MRVPVSSYSA-N 307.335 -0.293 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)C(=O)N1CCCC1 798940189 CZGWDRRDERVWLW-SNVBAGLBSA-N 319.365 -0.390 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 802027937 COBPCHLUBMSHTC-JTQLQIEISA-N 321.337 -0.849 50 20 DBGD COC(=O)c1cccc(NNC(=O)NCC(=O)NCC#N)c1 807553038 KBFYCEHJHSQUHX-UHFFFAOYSA-N 305.294 -0.261 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826423738 DFFHGXAXFHDFSI-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD COCCO[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 827274010 LGNULQCSDLOQKQ-IJLUTSLNSA-N 315.370 -0.111 50 20 DBGD CCC[C@@H](C(=O)NNc1cccc(OC)n1)S(N)(=O)=O 831876811 MNPXDVOSKICESL-QMMMGPOBSA-N 302.356 -0.010 50 20 DBGD CCCN(CC(N)=O)CC(=O)NNC(=O)c1ccc(C#N)cc1 839607600 IMJPJXLBALCYPH-UHFFFAOYSA-N 317.349 -0.483 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(-c2cccnc2)nn1 843657605 DEGZAXIXVCRUPC-MWLCHTKSSA-N 316.321 -0.152 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NN(C)C(=S)NCCCOC 854280675 YNQXSZGJEXNTLV-VIFPVBQESA-N 304.416 -0.225 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1O 854291273 UCUAPUPJPXFNGK-UHFFFAOYSA-N 307.306 -0.120 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2cc[nH]n2)c(=O)c1 855356979 WJCPSHUPZXVZRH-CQSZACIVSA-N 319.321 -0.908 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2CCCO[C@H]21 858248771 HZWBQYIPNVKLLT-GAIPPQHRSA-N 324.381 -0.201 50 20 DBGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)[C@@H]1CCC(=O)N1 863153273 QUROZJIYOSVDEK-JTQLQIEISA-N 315.333 -0.196 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)n(C)n1 863463359 XXMVMEXXTGPCCW-UHFFFAOYSA-N 302.356 -0.651 50 20 DBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)N1CCCCCC1 863463873 XDYWDXPVKLFUDH-JTQLQIEISA-N 305.400 -0.557 50 20 DBGD COC(=O)C1(CS(=O)(=O)N2CC[C@H](B(O)O)C2)CCC1 864233350 WYVOJXOPIZZOSP-VIFPVBQESA-N 305.161 -0.792 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H](C(F)(F)F)C1 866008348 ZAFFZTLKHSLAGE-JTQLQIEISA-N 321.035 -0.091 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C1(Br)CC1 913732705 GXKVFXVDYHTIGJ-UHFFFAOYSA-N 304.144 -0.316 50 20 DBGD C=CCNC(=S)NNC(=O)Cc1ccc(-n2cnnn2)cc1 918687198 LRUHVYRUCAHNLW-UHFFFAOYSA-N 317.378 -0.114 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cncc(O)c1 1118689558 UCRHAPHSBRRFCM-UHFFFAOYSA-N 308.338 -0.218 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCC(=O)N1 1319296535 XXMBTPGSWJBHOJ-SNVBAGLBSA-N 301.306 -0.697 50 20 DBGD Cc1nc(N(C)C)sc1C(=O)NNC(=O)C(=O)NC(C)C 1319664520 SEKXXSHSURSHFT-UHFFFAOYSA-N 313.383 -0.197 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cn(C3CCOCC3)nn2)n[nH]1 1324185670 HCZLYXLSXBOESR-UHFFFAOYSA-N 319.325 -0.264 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)Cc2cc(C)[nH]n2)CC1 1329959737 DLWFAVAEEYUNDY-UHFFFAOYSA-N 322.413 -0.564 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1 1331511418 XTPGLWAYQUFKFP-SECBINFHSA-N 319.321 -0.089 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNC(=O)c2ccncc2)c1=O 1574748289 NZSNQFPCDQYPLO-UHFFFAOYSA-N 316.273 -0.597 50 20 DBGD CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN1 1575125954 QNMPZKXCBQBVND-QWRGUYRKSA-N 310.398 -0.077 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@]1(C)C[C@H](O)CN1 1579873123 TXRBGZUQFBCGKX-BONVTDFDSA-N 317.349 -0.483 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC2(CC(=O)O)CCCC2)nn1 1600932179 LPOBMIATKKHOEP-UHFFFAOYSA-N 324.341 -0.206 50 20 DBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)c1n[nH]c2c1CCCC2 1605814804 UKQHKTKXPPWWPU-CQSZACIVSA-N 322.321 -0.317 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1cccc(C(=O)O)c1F 1608327721 JMMOJEGPIZOWQV-UHFFFAOYSA-N 324.268 -0.091 50 20 DBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1cccc(-c2nn[nH]n2)c1 1609558012 JAFKHQOFYWZUTE-ZDUSSCGKSA-N 320.284 -0.244 50 20 DBGD O=C([C@H]1CCOC1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354127 JGOGESYAQZFEEQ-WDEREUQCSA-N 316.785 -0.174 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)c(C)c1 266113065 WOIZTVGNRJFIQO-UHFFFAOYSA-N 301.324 -0.096 50 20 DBGD COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 266801826 GVTOVVHQQCGXAH-IUCAKERBSA-N 311.338 -0.608 50 20 DBGD CN(C)C(=O)NNC(=O)CCN1CCN(c2ccccn2)CC1 266850617 PENPTHQSYDQPIU-UHFFFAOYSA-N 320.397 -0.104 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(C(N)=O)nn1 268268131 SEENNRPKZHIAKV-MRVPVSSYSA-N 320.353 -0.287 50 20 DBGD O=C(CC1CCCCC1)NCC(=O)NNC(=O)C(=O)NC1CC1 299562150 YFZBZLOOKDOMSN-UHFFFAOYSA-N 324.381 -0.501 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCn3ccnc3C2)CC1 377231139 AKXLSYFPDOBJHT-LLVKDONJSA-N 306.370 -0.566 50 20 DBGD COC(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 495720232 UJVLQHGEYIJEPZ-UHFFFAOYSA-N 308.294 -0.563 50 20 DBGD C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(B(O)O)c(F)c1 584935473 LVFRJDGYHXSPMU-VIFPVBQESA-N 308.118 -0.754 50 20 DBGD CN(C)[C@@H](CNC(=O)c1ccc(B(O)O)cc1)c1cnn(C)c1 584948430 MERRHEVEZMONMR-AWEZNQCLSA-N 316.170 -0.867 50 20 DBGD CS[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1N(C)C 584968620 ZLKLYVDKVSTLBP-QWHCGFSZSA-N 308.212 -0.516 50 20 DBGD O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(B(O)O)c(F)c1 584969633 GSEPJZKGYPNPSI-NHYWBVRUSA-N 323.129 -0.427 50 20 DBGD CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(B(O)O)c(F)c1 584972966 APIPFBSAJZQQCH-SNVBAGLBSA-N 323.051 -0.109 50 20 DBGD CCNC(=O)C1(NC(=O)c2ccc(B(O)O)c(F)c2)CCCC1 584979754 DPTHTRPYBKRVCM-UHFFFAOYSA-N 322.145 -0.316 50 20 DBGD O=C(NCc1nc([C@H]2CCCO2)n[nH]1)c1ccc(B(O)O)cc1 585004419 DEQDFEGMXHXRJQ-LLVKDONJSA-N 316.126 -0.734 50 20 DBGD COCCOC1(CNCc2ccc(B(O)O)cc2)CCOCC1 585042704 CCQKAXMLPMPSND-UHFFFAOYSA-N 323.198 -0.332 50 20 DBGD O=C(CCCNC(=O)c1ccc(F)cc1F)NCB(O)O 585058048 RQCVLLRVYMGUSM-UHFFFAOYSA-N 300.070 -0.397 50 20 DBGD CN1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732259126 MEHPSCQLVWRLTC-NXEZZACHSA-N 303.384 -0.947 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)C2CCCC2)CC1=O 746122728 YTNXJUVJRDEBMD-GFCCVEGCSA-N 310.398 -0.266 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 746637687 SSSBQZPMHISZJY-UHFFFAOYSA-N 315.333 -0.450 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)[C@@H]2CCNC2=O)c1 759425890 OZFHCLPHNFDVHY-GFCCVEGCSA-N 304.350 -0.424 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(CNS(C)(=O)=O)o1 780708471 JBUUXQOHLDXYTG-UHFFFAOYSA-N 318.355 -0.365 50 20 DBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)C2CCC2)n1 782567017 CEDSUBCWLKNCKV-UHFFFAOYSA-N 308.342 -0.076 50 20 DBGD Cn1cc(C(=O)CCC(=O)NNC(=O)C(=O)N2CCCC2)cn1 793305571 RTIWCDKKJNKRTK-UHFFFAOYSA-N 321.337 -0.847 50 20 DBGD CNC(=O)COc1ccc(NC(=O)NNC(=O)COC)c(C)c1 797681014 PTESUIWNMCPPMV-UHFFFAOYSA-N 324.337 -0.081 50 20 DBGD COc1ccnc(NNC(=O)c2ccc(S(N)(=O)=O)cc2)n1 798317976 OLHOZRHIVBEDSX-UHFFFAOYSA-N 323.334 -0.111 50 20 DBGD COC(=O)CC1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1 819808456 WCLFQKJTTBYFAG-JAMMHHFISA-N 305.356 -0.631 50 20 DBGD C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O 824040466 QJNPCXWOZCJENV-SSDOTTSWSA-N 310.339 -0.257 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)Cn1cc(C(=O)O)nn1 833102866 UFKLBWMEQLPRIP-UHFFFAOYSA-N 317.305 -0.244 50 20 DBGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNc2nc[nH]n2)c1 839770057 SFYJCZGFNOKAON-UHFFFAOYSA-N 324.366 -0.157 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@]1(C2CCCC2)CCNC1=O 859252420 OBJSAZMIKVUDLS-HNNXBMFYSA-N 319.365 -0.204 50 20 DBGD C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453206 TVFMZBRMVYMNII-ONGXEEELSA-N 324.381 -0.503 50 20 DBGD Cc1cccn2cc(CC(=O)NNC(=O)[C@@H]3CCC(=O)N3)nc12 862455159 ZMNRNFRCSZOJQA-NSHDSACASA-N 315.333 -0.389 50 20 DBGD CN1C(=O)CN(CC(=O)NNCC(F)(F)C(F)(F)F)C1=O 863103017 HOWBVUNXWGJPJH-UHFFFAOYSA-N 318.202 -0.301 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879534789 YDZVAVRJQYREQD-GARJFASQSA-N 324.381 -0.885 50 20 DBGD C[C@]1(C(=O)NNC(=O)CN2CCCC2=O)C[C@@H]1Br 913732713 HGQRLKSMUHEAIM-CPCISQLKSA-N 318.171 -0.070 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ncn(-c2ccccc2)n1 1116441001 COXRXHDKAOMSRN-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD CCC1(O)CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1118805293 ATFNOLQJWXGZFN-XIRUVYRFSA-N 312.370 -0.321 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCNS(C)(=O)=O 1253337600 DCRRGUGBCIGNNJ-SNVBAGLBSA-N 322.431 -0.951 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2nnc(C)n2C1 1322894535 LSZFPCZAEXLBKH-SNVBAGLBSA-N 310.358 -0.484 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1326866330 QDBOMFDIYLNNKK-SNVBAGLBSA-N 307.354 -0.252 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCN1c2ccccc2C[C@@H]1C 1330490498 SUAIFVPMGQYVAT-JTQLQIEISA-N 320.349 -0.059 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)c(F)c1 1336382014 NRDKZPDHDGENHB-UHFFFAOYSA-N 313.241 -0.062 50 20 DBGD CO[C@@H]1CN[C@@](C)(C(=O)NNC(=S)NCCSC)C1 1573959977 BHPDPWWZYFCSLG-GZMMTYOYSA-N 306.457 -0.388 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)NOC[C@H]1CCOC1 1593165233 YDYOILPCHBWFRP-QMMMGPOBSA-N 320.313 -0.144 50 20 DBGD CN(C)S(=O)(=O)CC(=O)NNc1cccc(C(=O)O)c1F 1598260239 ZQGJBAYXMVFEMF-UHFFFAOYSA-N 319.314 -0.142 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@]1(C(=O)O)CC1(C)C 1603544926 OQKLYHBPSOOSII-AWEZNQCLSA-N 313.354 -0.061 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)COCC(=O)O 1604897136 NZSJIRAZASWRFF-UHFFFAOYSA-N 312.278 -0.677 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1609536720 LFMXHAIUZNXPCD-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1 1776052445 LRBJWKQOKMLLRG-CZMCAQCFSA-N 323.309 -0.275 50 20 DBGD NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1845993498 IBEYSUJYEQLNQC-JTQLQIEISA-N 305.737 -0.010 50 20 DBGD CN1N=C(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 17330323 QOXFPDABVZQWLT-UHFFFAOYSA-N 319.277 -0.036 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)COc1ccc(C#N)cc1 43141182 YOUVAUGJHZQBQL-UHFFFAOYSA-N 319.321 -0.596 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(CCNC(C)=O)s1 48835384 FKDGVECDRTUEAI-UHFFFAOYSA-N 321.380 -0.024 50 20 DBGD C[C@@H](CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 49119714 QIGGKWDWMAPPNX-WPRPVWTQSA-N 303.384 -0.060 50 20 DBGD O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)NC1CC1 138663079 IQWSGPORAGBXRU-UHFFFAOYSA-N 301.306 -0.111 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)Cc1ccncc1 266989239 SROSNFRDZUNVFA-UHFFFAOYSA-N 309.370 -0.467 50 20 DBGD C[C@H]1[C@@H](C)OCCN1C(=O)NNC(=O)CNC(=O)c1ccco1 268907756 NJFISZOIGJLFQD-VHSXEESVSA-N 324.337 -0.141 50 20 DBGD O=C(CN1CC[C@H](O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 270017796 PSGKMESDHBTGRF-NSHDSACASA-N 308.294 -0.578 50 20 DBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)C(=O)N1CCCC1 278749972 SIPQVLYHNGAPKB-GFCCVEGCSA-N 324.381 -0.549 50 20 DBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 285576437 KAFZATVOAGJRLK-IUCAKERBSA-N 323.305 -0.644 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 496298735 AAFSTZQREDMJSR-JGVFFNPUSA-N 314.342 -0.830 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H]([C@H]2CCCO2)C1 584957953 LARBVFXEVTWXQD-ZIAGYGMSSA-N 323.129 -0.475 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCOC2(CCOCC2)CC1 584978940 ZLRWRNCKYYMJKX-UHFFFAOYSA-N 319.166 -0.222 50 20 DBGD O=C(Cn1nnnc1-c1ccsc1)N1CC[C@@H](B(O)O)C1 585063892 JTIZVAMZTPFABH-SECBINFHSA-N 307.144 -0.523 50 20 DBGD O=C(NCCCc1ccccc1)C(=O)N1CC[C@@H](B(O)O)C1 585065722 IURUIGKJXOVYAI-CYBMUJFWSA-N 304.155 -0.189 50 20 DBGD C[C@@H](CN1CCCCC1)C(=O)NNC(=S)NCC(N)=O 727066715 OXKLGXUHJXVZHI-VIFPVBQESA-N 301.416 -0.911 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)CNC(=O)c1ccco1 732065861 ZIUVGUOXFQLRPT-UHFFFAOYSA-N 310.310 -0.927 50 20 DBGD COc1ccnc(NNC(=O)[C@H](NS(C)(=O)=O)C(C)C)n1 733254156 VQTQSRVOVWPPKJ-SECBINFHSA-N 317.371 -0.498 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccccc2F)c(=O)n(C)c1=O 734990844 WHMRPAYMTNJMNO-UHFFFAOYSA-N 320.280 -0.702 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCNC(=O)O)C[C@@H](C)O1 736810172 OBWMMJJZYFKEJY-NXEZZACHSA-N 316.358 -0.709 50 20 DBGD COc1ncnc(N)c1C=NNC(=O)[C@@H](C)CN1CCOCC1 747630573 RFPTXBVHEVTBOW-JTQLQIEISA-N 322.369 -0.514 50 20 DBGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)NC(C)C 755967908 UOPZPYKQRRYOIS-UHFFFAOYSA-N 322.368 -0.169 50 20 DBGD CN1CCCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 758839964 ICKFQMSTCSZMIP-SNVBAGLBSA-N 305.338 -0.348 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1C(=O)OC 764299923 PLWROCJHYAHZDU-UHFFFAOYSA-N 323.305 -0.486 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCN(C)C(=O)OC 772092599 SGLRIEQVCPEMQV-SECBINFHSA-N 317.342 -0.046 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 773862353 SGVHZISQLKUMNF-UHFFFAOYSA-N 313.665 -0.645 50 20 DBGD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)CO 777782110 QHGWHYIUIWCMBN-VGANXODHSA-N 301.368 -0.616 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@]2(CCCOC2)O1 796606072 BEWHTZMCBRWYOZ-ABAIWWIYSA-N 311.382 -0.186 50 20 DBGD CCc1occc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 797710936 BFZJWRXXSZKVSI-MRVPVSSYSA-N 315.351 -0.027 50 20 DBGD NC(=O)C[C@@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 808774898 FFSNQQYWQGJODP-NSHDSACASA-N 304.350 -0.355 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1COC(C)(C)O1 826884113 BNRRFOQKGYYJDG-AEJSXWLSSA-N 301.343 -0.107 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H](O)C1CC1 827857192 YNRURAZCYNOFQS-SECBINFHSA-N 316.358 -0.388 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCNC2=O)nc1C 831780078 OQVPYKBWNIFFHA-MRVPVSSYSA-N 307.310 -0.459 50 20 DBGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(=O)OC(C)(C)C 840301162 NXWGUWYRCGKMOZ-SECBINFHSA-N 313.354 -0.266 50 20 DBGD C[C@@H]1CN(C(=O)C(=O)NNC(=O)CCCN)c2ccccc2O1 841294667 RNYKAEUBINLWCU-SNVBAGLBSA-N 320.349 -0.313 50 20 DBGD O=S(=O)(CBr)N1CC[C@@H](N2CCNCC2)C1 850587595 DUPXATJHHVLZIM-SECBINFHSA-N 312.233 -0.352 50 20 DBGD CNC(=O)[C@@H]1Cc2ccccc2N1CC(=O)NNC(=O)C(C)C 852076723 ZEGSDSKSIBVKOQ-ZDUSSCGKSA-N 318.377 -0.033 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)C[C@H]1COCCO1 852394278 OTJLTTFKJMHDKU-GARJFASQSA-N 301.343 -0.501 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=S)NCC1CCC1 855090850 SEJDEOZCQYCGPI-UHFFFAOYSA-N 308.429 -0.779 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 858340976 UKLGGFLYQDDUNC-NWDGAFQWSA-N 320.349 -0.017 50 20 DBGD COCC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 858524746 JEWQHJZWKOJYAD-SNVBAGLBSA-N 312.370 -0.198 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnc(N3CCCC3)n2)N1 862455557 OXEIFFJRKCTNFY-VIFPVBQESA-N 318.337 -0.884 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 863865196 MSVHLYNNYHKQJV-ZDUSSCGKSA-N 318.377 -0.142 50 20 DBGD O=C(CNC(=O)c1cccc(B(O)O)c1)OC1CCCCC1 863876532 DZTCZSFIEIMABG-UHFFFAOYSA-N 305.139 -0.028 50 20 DBGD CO[C@@]1(C(=O)NNC(=S)NC(C)(C)C)CCS(=O)(=O)C1 899992354 BONPJMKPLXZVLX-NSHDSACASA-N 323.440 -0.516 50 20 DBGD C[C@@H](C(=O)NNC(=S)NC(C)(C)C)N1CCN(C)CC1 899995603 XKPHWZMULOZVHU-JTQLQIEISA-N 301.460 -0.084 50 20 DBGD N#Cc1cccc(OCC(=O)NNC(=O)CN2CCCC2=O)c1 920433160 QAORSBFCZLLDLC-UHFFFAOYSA-N 316.317 -0.293 50 20 DBGD CS(=O)(=O)CC1(C(=O)NNc2cccc(F)n2)COC1 1157057713 ZPGSQVWWDINULD-UHFFFAOYSA-N 303.315 -0.275 50 20 DBGD C[S@@](=O)c1nncn1CC(=O)NNC(=O)c1ccccc1 1318306796 YRNUXQVCLYYKOY-OAQYLSRUSA-N 307.335 -0.523 50 20 DBGD O=C(C[C@H]1CCCCO1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319197015 FSAUSPDZKGXNMI-VHSXEESVSA-N 319.383 -0.537 50 20 DBGD CN(C)N(C(=O)[C@@H](O)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 1324129901 ZGPCJAYPVBXTIV-NEPJUHHUSA-N 313.379 -0.393 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCS1(=O)=O 1329038184 GACMHBSIGAULDS-VIFPVBQESA-N 301.324 -0.313 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H](n3cccn3)C2)N1 1329191017 KWMNNFKOUNZYNK-NXEZZACHSA-N 306.326 -0.851 50 20 DBGD CC(=O)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)n(C)c1 1331834732 SYNSXGUUKXUGFX-UHFFFAOYSA-N 301.324 -0.967 50 20 DBGD C=CC(=O)N(C)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1335239998 LZHNKBCOCCYNMF-JTQLQIEISA-N 303.384 -0.877 50 20 DBGD COC(=O)c1ncoc1CCC(=O)NNC(=O)c1cc[nH]n1 1347833571 VZNOVCOHZWWJRI-UHFFFAOYSA-N 307.266 -0.422 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1ccccc1O)c1nnnn1C 1348018189 KMIIJMYDQCOHEX-SSDOTTSWSA-N 305.298 -0.379 50 20 DBGD C[C@H](CO)N(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1589883324 ZIUKOEXNRKNRBI-MRVPVSSYSA-N 306.330 -0.983 50 20 DBGD C[C@H]1[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCN1C 1590170930 NGLHOKJSZNPUHQ-WCBMZHEXSA-N 317.357 -0.020 50 20 DBGD Cc1nnc(NNC(=O)c2cscc2-c2nn[nH]n2)nc1O 1592449048 DIDADVHHWRYEII-UHFFFAOYSA-N 319.310 -0.116 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 1593911955 VEEUPYHVZWLNCZ-NSHDSACASA-N 318.289 -0.267 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)N1 1602637807 HZBCULMVMKVCIW-IVZWLZJFSA-N 324.337 -0.952 50 20 DBGD C[C@@](CNC(=O)NNC(=O)C(=O)O)(C(=O)O)c1ccccc1 1604179214 VLVIAJGYJOLRLF-ZDUSSCGKSA-N 309.278 -0.556 50 20 DBGD COc1cc(CCNC(=O)NNC(=O)C(=O)O)cc(OC)c1 1607156025 FMHRZDVRHRHZDI-UHFFFAOYSA-N 311.294 -0.339 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1cc(C(=O)O)on1 1608352257 UIWUITICYLMMAQ-UHFFFAOYSA-N 321.245 -0.082 50 20 DBGD CCCCNC(=O)NNC(=O)Cn1nnc2ccccc2c1=O 64426868 IJDMLIVOYMOTHA-UHFFFAOYSA-N 318.337 -0.078 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](O)C2)n1 96965888 XIHBBYVOHWSQPI-SNVBAGLBSA-N 312.395 -0.402 50 20 DBGD COC(=O)C[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 268558921 CXFCPEXYYUIXHH-JTQLQIEISA-N 323.353 -0.045 50 20 DBGD O=C1CCC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)N1 270303403 QRHCIJPDGKQAJY-SNVBAGLBSA-N 319.317 -0.113 50 20 DBGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)OC)cc1 274288523 LVCUVJXFLOGKDS-UHFFFAOYSA-N 315.351 -0.086 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc2c(c1)C(=O)NC2=O 295679221 XWDCYLHZIJHFEC-NSHDSACASA-N 317.301 -0.100 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 297441695 URIYTLUHOVBFGJ-VIFPVBQESA-N 300.315 -0.664 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 371476062 UJGQGSKTYLCSML-SNVBAGLBSA-N 305.338 -0.268 50 20 DBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)N2CCN(C)CC2)C1 377234648 CMYZCQUBCPRHRR-CQSZACIVSA-N 311.386 -0.767 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CCCN(C(=O)C2CC2)C1 405014057 ZSCMEKNHAZLLQB-LBPRGKRZSA-N 316.166 -0.047 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 496244354 IIQHFEVBEMPQTK-RDDDGLTNSA-N 321.289 -0.284 50 20 DBGD Cn1cc(CCCNC(=O)c2ccc(B(O)O)c(F)c2)cn1 584939800 KZPOVZPDGHIQKL-UHFFFAOYSA-N 305.118 -0.398 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@]2(CCCOC2)O1 584981858 BKSOKHJRSZSSIY-BLLLJJGKSA-N 319.166 -0.224 50 20 DBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)C(=O)NC1CC1 738922537 KJRHXPYIZZPZSN-UHFFFAOYSA-N 321.337 -0.297 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1ccc2c(c1)OCO2 757762405 VCMZPFMJXCAGLI-UHFFFAOYSA-N 304.266 -0.568 50 20 DBGD Cn1c(NNC(=O)[C@H]2CCNC(=O)C2)nc2ccccc2c1=O 760590736 YDYJFUOZPXBGRD-VIFPVBQESA-N 315.333 -0.097 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCNC(=O)C1CC1 772002186 SQTYPVHPFYFEAD-SECBINFHSA-N 313.354 -0.218 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1ccccn1 777469520 XCSVMXWHZGVAAS-UHFFFAOYSA-N 316.383 -0.131 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ccnc(F)c1 781435452 DMLYFMCIRQEGPI-UHFFFAOYSA-N 313.314 -0.037 50 20 DBGD COc1cc(C)cnc1C(=O)NNC(=O)C(=O)N1CCCC1 792596967 JQEQOIZDYGXESV-UHFFFAOYSA-N 306.322 -0.218 50 20 DBGD Cc1c(NC(=O)NNC(=O)CO)nnn1Cc1ccccc1F 801811653 XRQKVCYFMRYGGO-UHFFFAOYSA-N 322.300 -0.081 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(C(=O)OC)CC1 808045975 UXLATLCYQMZTPO-UHFFFAOYSA-N 302.327 -0.124 50 20 DBGD Cc1nn(C)c(N)c1C=NNC(=O)CNC(=O)c1cccnc1 814873447 BPPIHSHRUHILAB-UHFFFAOYSA-N 315.337 -0.414 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)CC2 826115028 ZZTVJBZIDWJCSM-FBIMIBRVSA-N 322.369 -0.343 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)C1(n2cnnn2)CC1 830331836 HZKIGDFXGVWBPW-UHFFFAOYSA-N 300.322 -0.139 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 854388776 XOODWQQJBIWHKM-SFYZADRCSA-N 303.315 -0.580 50 20 DBGD COCCN(C)NC(=O)c1nc(S(C)(=O)=O)ncc1C 854412468 HTSYBTCALYIVAU-UHFFFAOYSA-N 302.356 -0.588 50 20 DBGD CCOC[C@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858697544 SQKJBNYSOIYTET-QWRGUYRKSA-N 312.370 -0.246 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC([C@H]3CCCO3)CC2)N1 858698787 ARBILAASDYOMFW-NWDGAFQWSA-N 324.381 -0.103 50 20 DBGD O=C(CN1C[C@H](O)[C@@H](O)C1)NNC(=O)c1cccc(Cl)c1 859453506 RNBDMEGZMZEDDA-QWRGUYRKSA-N 313.741 -0.862 50 20 DBGD O=C(NN=C1CCN(CCN2CCOCC2)CC1)c1cn[nH]c1 863155161 ZKVGPEUANOOVPJ-UHFFFAOYSA-N 320.397 -0.077 50 20 DBGD CS(=O)(=O)CC(=O)NN=C(CO)c1ccc(F)cc1F 863187429 LBGOOPJLWNEOGQ-UHFFFAOYSA-N 306.290 -0.178 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(NC2CC2)nc1 863460292 RCQJKZUPPDIEIA-UHFFFAOYSA-N 312.351 -0.539 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnc(C(F)(F)F)nc1 1116692098 IHIXVAUVCXLYML-UHFFFAOYSA-N 319.243 -0.219 50 20 DBGD Cc1cn2ccnc(C(=O)NNC(=O)C(=O)N3CCCC3)c2n1 1255845368 DEYVRTNMVOKTKK-UHFFFAOYSA-N 316.321 -0.579 50 20 DBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)N(C)C)c1 1319662798 QUJWEWPRFPFGAN-UHFFFAOYSA-N 300.340 -0.442 50 20 DBGD C[C@H]1C[C@@H](CCNC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1320078653 QLNSMKGHRXSORQ-UWVGGRQHSA-N 312.370 -0.199 50 20 DBGD Nc1cnnc(NNC(=O)CNC(=O)c2ccncc2)c1Cl 1320439277 KMIXOGKIIKBTNX-UHFFFAOYSA-N 321.728 -0.020 50 20 DBGD Cc1cnn(CCC(=O)NNC(=O)C(=O)Nc2ccccn2)c1 1323813824 MQLDSNPBWVWHJI-UHFFFAOYSA-N 316.321 -0.237 50 20 DBGD CC1(C)Cc2cc(NC(=O)C(=O)NNC(=O)CCO)ccc2O1 1323944547 ZLDASRCGXMNUII-UHFFFAOYSA-N 321.333 -0.132 50 20 DBGD CN(CC(=O)NNC(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1325073467 MCHFPIMJVAXSTN-JTQLQIEISA-N 303.384 -0.947 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)OC)n1 1326464588 VJFYYRLWCBCEDC-UHFFFAOYSA-N 310.266 -0.416 50 20 DBGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1332155449 CNYIBVGRJYOQQN-NXEZZACHSA-N 323.353 -0.025 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@@H](C)c2nnnn2C)n1 1341937496 ZJMPRRFLSVNJDS-ZETCQYMHSA-N 307.318 -0.296 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)cc1 1520729451 QECIZUYPZJWSGK-RISCZKNCSA-N 318.377 -0.156 50 20 DBGD NCCN1CCC[C@H](C(=O)NNc2ncncc2Cl)C1=O 1580311487 WXSIHPPFMXTHLH-MRVPVSSYSA-N 312.761 -0.230 50 20 DBGD CC(C)(CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)CC(=O)O 1590726667 SWKOYFAACPXQBT-GFCCVEGCSA-N 321.399 -0.132 50 20 DBGD COc1ccc(NC(=O)NNC(=O)CO)cc1-c1nn[nH]n1 1591613457 CTFJVKSVHFECQO-UHFFFAOYSA-N 307.270 -0.980 50 20 DBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795523258 IRWGFYYMYDKRAX-PEGIJTEDSA-N 317.817 -0.200 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)[C@H]2CCOC2)C1 1846688377 HTRCTAUIQBIURD-QWRGUYRKSA-N 316.785 -0.174 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1ccc(C(=O)OC)cn1 270342916 COIHPNVXMXVQDU-UHFFFAOYSA-N 310.310 -0.584 50 20 DBGD Cc1ccnc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 273377342 GDRKYSVJOCMOBE-QMMMGPOBSA-N 315.355 -0.520 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@H]2CC[C@@H](CO)O2)n1 294140003 GWHLLVDGYBSZOS-ZJUUUORDSA-N 311.342 -0.040 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cnn(-c2ccccc2)n1 299359401 IMXMRIWHCDJMGD-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CN3CCCN2CC3)n1 373243644 KWFDYZXYSBHPKF-MRVPVSSYSA-N 311.777 -0.455 50 20 DBGD O=C(NC1(c2nn[nH]n2)CCCC1)c1ccc(B(O)O)c(F)c1 584947866 DEQGPIKSGUQGDO-UHFFFAOYSA-N 319.105 -0.782 50 20 DBGD O=C(NCC1(CCO)CCOCC1)c1cccc(B(O)O)c1 584961062 XHUSDQGOKCVNBQ-UHFFFAOYSA-N 307.155 -0.725 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 584986163 BTPHMHJUUKSIKU-ZTEQUAQWSA-N 305.114 -0.653 50 20 DBGD O=C(NCCC1(O)CCOCC1)c1ccc(B(O)O)c(F)c1 584988219 IGIQADSWXPGEDC-UHFFFAOYSA-N 311.118 -0.833 50 20 DBGD CC(C)(CNC(=O)c1cccc(B(O)O)c1)[C@]1(O)CCCOC1 585005452 HUVNFGBLMYQJFH-INIZCTEOSA-N 321.182 -0.336 50 20 DBGD CC[C@H](NCc1cccc(B(O)O)c1)C(=O)N1CCOCC1 585025710 AQXCUGCBKGROBG-AWEZNQCLSA-N 306.171 -0.907 50 20 DBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)C(C)(C)O 768242793 AYTREXAVPXKDOQ-UHFFFAOYSA-N 306.326 -0.554 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)NCc1ccco1 779502824 GYCAYOQCCGCPPD-LDYMZIIASA-N 324.337 -0.614 50 20 DBGD CC(C)OCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 784625855 JLVKELPAGPIAKQ-SNVBAGLBSA-N 321.399 -0.291 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)Cc1ccc(F)cc1 814762130 ORCBSRIWZOKJTM-UHFFFAOYSA-N 321.312 -0.139 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 826260111 WSSQMHMFVPTCKF-UHFFFAOYSA-N 301.270 -0.699 50 20 DBGD Cc1onc(CC(=O)NNC(=O)C2CCC2)c1-c1nn[nH]n1 826347937 MQWLAUFODBGWNZ-UHFFFAOYSA-N 305.298 -0.347 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1c[nH]nc1C)C(C)=O 826753237 BDCRZBKJDLQTNG-VIFPVBQESA-N 310.310 -0.362 50 20 DBGD O=C(NNc1cnc2ccccc2n1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 832214059 YPEKTHIOTJBSAV-YRGRVCCFSA-N 316.317 -0.514 50 20 DBGD CC(C)(C)C(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 845213327 PPKLOBJQGBVLRR-UHFFFAOYSA-N 323.357 -0.903 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853387576 FHEWIIPYWJAZGA-NEPJUHHUSA-N 317.411 -0.224 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)n1cncn1 854280259 SDQMMCUDNZCQQE-SECBINFHSA-N 300.388 -0.287 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)n1cc(CN2CCN(C)CC2)nn1 881294321 ZHERDUYPLJHOOM-NSHDSACASA-N 323.401 -0.856 50 20 DBGD CCCN1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 906470538 LPNVGHGLXXQXDZ-GFCCVEGCSA-N 310.398 -0.122 50 20 DBGD C=CCCO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 921148948 WKCWADSEHORYHB-VHSXEESVSA-N 304.368 -0.450 50 20 DBGD CCOCC(=O)NNC(=O)NCc1nnc2n1CCCCC2 1116016662 YBSUAMYYWFMYNK-UHFFFAOYSA-N 310.358 -0.129 50 20 DBGD O=C(NC[C@H]1CCCO1)NNC(=O)C(=O)Nc1ccccn1 1319267276 DCWDMBLNWOBFSL-SECBINFHSA-N 307.310 -0.471 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCCS2(=O)=O)cn1 1320708988 PHBSCPKXPPOXFZ-SECBINFHSA-N 300.340 -0.852 50 20 DBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1ccc[nH]1 1322552710 GSUKREMPAKPFJQ-LLVKDONJSA-N 308.386 -0.405 50 20 DBGD C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cccc(F)n1 1330567514 UJHHWZQAIOLYNA-JLPJYYFKSA-N 302.331 -0.068 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1333347528 MZWWZSDTRKGEEP-VHSXEESVSA-N 308.400 -0.688 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@H]1CCN1)n1nnc(-c2ccccc2)n1 1575069639 OKJSMQGTYLOCSY-MWLCHTKSSA-N 315.337 -0.590 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1591784388 KSDFVVWOTVHYLZ-YUMQZZPRSA-N 319.325 -0.311 50 20 DBGD Cn1nc(C(=O)O)cc1NC(=O)NNC(=O)Cc1ccncc1 1601005147 VICGRWCBBAUWGG-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]1(C(=O)O)CC1(C)C 1603544927 OQKLYHBPSOOSII-CQSZACIVSA-N 313.354 -0.061 50 20 DBGD CNCCCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350681 RGHGWWQRAAVDKR-LLVKDONJSA-N 317.817 -0.211 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2nc3ccccn3n2)O1 276792550 CWWLYUVEJSYFEH-DTWKUNHWSA-N 319.325 -0.612 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)n1C 293006007 PHAJGKDBCJXPNJ-UHFFFAOYSA-N 310.310 -0.502 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 369287325 GIKSQNNKBJFBHJ-NSHDSACASA-N 319.365 -0.861 50 20 DBGD COC(=O)N1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 491064482 HWQMVRHSGQKCOL-MRVPVSSYSA-N 320.371 -0.742 50 20 DBGD CCC(=O)N[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584938336 YMWUZGKKPFJZLJ-NSHDSACASA-N 322.145 -0.364 50 20 DBGD CCN1CCN([C@@H](C)CNC(=O)c2cccc(B(O)O)c2)CC1 584945900 MNIBGBXNDMEPEU-ZDUSSCGKSA-N 319.214 -0.878 50 20 DBGD COCCCN(C)CCNC(=O)c1ccc(B(O)O)c(F)c1 584953170 ZMRNZQXONVCECG-UHFFFAOYSA-N 312.150 -0.796 50 20 DBGD CC(C)OCCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584955297 PZZXDSGBRHRPKF-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD O=C(NC[C@H](O)C1CCOCC1)c1cc(B(O)O)ccc1F 584960591 SHYZMLCYSKFBMV-ZDUSSCGKSA-N 311.118 -0.977 50 20 DBGD CC[C@H]1CN(CCNC(=O)c2ccc(B(O)O)cc2)CCO1 584983232 UYQPVNQIACQBPR-AWEZNQCLSA-N 306.171 -0.793 50 20 DBGD C[C@H](CN1CCOCC1)N(C)C(=O)c1ccc(B(O)O)cc1 584984201 VQJYNYHIIQXNKV-GFCCVEGCSA-N 306.171 -0.841 50 20 DBGD COC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC1 754651394 YYPSTMXTMWLRJZ-SECBINFHSA-N 319.383 -0.537 50 20 DBGD O=C(CO)NNC(=O)C(=O)N1CC2(CCC2)c2c(F)cccc21 764421575 NJOCOPHMDKWWTF-UHFFFAOYSA-N 321.308 -0.266 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 764429804 ZYQZZKLSWGNUIA-UHFFFAOYSA-N 303.278 -0.845 50 20 DBGD COC(=O)CNC(=O)NN=C1CCCC[C@H]1S(C)(=O)=O 779818331 YXXYCRBLIRZGFD-SECBINFHSA-N 305.356 -0.198 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)OC)ccc1O 779823141 KTIGVZASUCCBAN-UHFFFAOYSA-N 309.278 -0.015 50 20 DBGD CCN(CCO)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 823865167 LKXRXBLIWNILHM-LLVKDONJSA-N 317.386 -0.032 50 20 DBGD Cc1onc(CC(=O)NNC(=O)NC2CC2)c1-c1nn[nH]n1 826348347 IKTBCJUIQCAMKT-UHFFFAOYSA-N 306.286 -0.802 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 829503554 FMCDJHKZRGMZBK-LBPRGKRZSA-N 315.333 -0.355 50 20 DBGD O=C(Cc1cc(O)nc(S)n1)NNC(=S)NCC1CC1 849253469 KXFKPMBYLGPAOG-UHFFFAOYSA-N 313.408 -0.081 50 20 DBGD C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 857870357 FFVCFNGZDREOQE-JEZHCXPESA-N 305.338 -0.498 50 20 DBGD N#Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858145691 BCUKHLNVLKDJDX-LLVKDONJSA-N 301.306 -0.333 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C(N)=O 860580715 HZDSPYAESARUPL-SNVBAGLBSA-N 319.321 -0.475 50 20 DBGD C[C@H](O)CN(C)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 910146948 HOEAPARICBHDKZ-ZDUSSCGKSA-N 320.393 -0.321 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccc(=O)n(C)n1 1116449533 OPLGXQUYSONPDH-UHFFFAOYSA-N 301.397 -0.748 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1nncc(N)c1Cl 1118736358 HEGXEWMDJKPQQO-YFKPBYRVSA-N 322.778 -0.517 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CCCO1 1319268124 KJZBMYWLIDBATQ-AWEZNQCLSA-N 321.337 -0.080 50 20 DBGD Nc1cnnc(NNC(=O)[C@@H]2CN3CCCN2CC3)c1Cl 1324617461 WUOBVSKDQCEXRD-VIFPVBQESA-N 311.777 -0.455 50 20 DBGD CCCN1CCCN(C(=O)NNC(=O)c2cn[nH]c2)CC1=O 1328804064 LZXPCGNUWFBKSO-UHFFFAOYSA-N 308.342 -0.292 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOCC(F)(F)F)N1 1329710465 LIFOWVMVMJJVIC-ZCFIWIBFSA-N 312.248 -0.826 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCC(=O)c2cccn21 1330169431 YQBHMFBBNHHWLG-VIFPVBQESA-N 313.335 -0.802 50 20 DBGD C[C@@H](C[S@](C)=O)NC(=O)NNC(=O)c1cccc(F)n1 1330567513 UJHHWZQAIOLYNA-JKNYTWMOSA-N 302.331 -0.068 50 20 DBGD N#CCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331802722 HTNWHCRIMITJCQ-JTQLQIEISA-N 302.290 -0.371 50 20 DBGD Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331804031 RROZXPXWYKEKCA-HQJQHLMTSA-N 307.354 -0.369 50 20 DBGD Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](B(O)O)C2)c1 1335433448 PZWILEKKMIDDBB-VIFPVBQESA-N 312.156 -0.669 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)nc1OC 1343633601 ADGDSBHUVQJNEO-UHFFFAOYSA-N 312.282 -0.898 50 20 DBGD CCC[C@@H]1C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)CCO1 1351665743 FXZDSONFMCACNA-VHSXEESVSA-N 306.384 -0.226 50 20 DBGD O=C(CN1CCOC1=O)NNc1ccc(-c2nn[nH]n2)cn1 1592868949 IIDUPZMAXKIHLH-UHFFFAOYSA-N 304.270 -0.843 50 20 DBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1C(=O)O 1603425780 UQWKSHPOUBEKLD-GZMMTYOYSA-N 309.102 -0.312 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)Nc2n[nH]cc2-c2nn[nH]n2)cn1 1606237113 HOKGWZMDSYBRHW-KRXBUXKQSA-N 310.281 -0.131 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 43715664 SHXHMPALGWXUQP-UHFFFAOYSA-N 309.282 -0.373 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)CNC(=O)OC)nc1C 272164727 IHWKDTINPXQWKW-UHFFFAOYSA-N 311.298 -0.239 50 20 DBGD O=C(NNc1cnccn1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 365150821 OBEWIRFQHKUWNJ-RNFRBKRXSA-N 303.244 0.377 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@H]1c1nc[nH]n1 584968539 BRABMCYQQPKNIC-LBPRGKRZSA-N 318.117 -0.009 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@]2(CCO[C@@H]2C)O1 584981909 CHSRFDOLDZRJNI-XHBSWPGZSA-N 319.166 -0.225 50 20 DBGD O=C(NCCCNCc1ccc(B(O)O)o1)c1cccc(O)c1 585021139 PVOUQDBFUVYWEY-UHFFFAOYSA-N 318.138 -0.425 50 20 DBGD CCc1nc(COc2ccc(C(=O)NCB(O)O)cc2)no1 585059816 BUGMORPOQGHKNR-UHFFFAOYSA-N 305.099 -0.047 50 20 DBGD C[C@H](C#N)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 735833749 AELAVFOJBGTUFE-SECBINFHSA-N 324.362 -0.142 50 20 DBGD Cc1c(C(=O)NNC(=O)COc2ccccc2O)nnn1C 741688552 IWYLPIFSSYRZMG-UHFFFAOYSA-N 305.294 -0.331 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 743730388 OIDMQQFCKRTDJP-UHFFFAOYSA-N 310.339 -0.372 50 20 DBGD CC(C)n1ncc2cc(NC(=O)C(=O)NNC(=O)CO)ccc21 764421494 KSLSZOCEGKCYMW-UHFFFAOYSA-N 319.321 -0.305 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)N1CCSCC1 772217122 YOFSUWUDLOXVDH-VHSXEESVSA-N 317.411 -0.087 50 20 DBGD O=C(CO)NNC(=O)CCCc1nc(O)c2ccccc2n1 777781493 VSRDFYAVLXGWKR-UHFFFAOYSA-N 304.306 -0.202 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 782478451 OSZDXKVPTAOWBT-UHFFFAOYSA-N 314.367 -0.051 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCC2 789735129 SXHDXFZVILYIHZ-UHFFFAOYSA-N 312.351 -0.246 50 20 DBGD NC(=O)c1ccc(/C=C/C(=O)NNC(=O)N2CCOCC2)o1 824621747 WDNBDNNIZOFTTR-DUXPYHPUSA-N 308.294 -0.535 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)[C@H]2CCCCO2)CCO1 838111413 DMTIEELFRNCMDQ-VXGBXAGGSA-N 314.386 -0.393 50 20 DBGD CO[C@H](CS(=O)(=O)NNC(=O)c1cnn(C)c1)C(C)C 842584866 KIFNKHUCAGCNAK-SNVBAGLBSA-N 304.372 -0.345 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 843970245 CNJDPBBWBKAQKG-XPUUQOCRSA-N 305.294 -0.151 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2nccc-2c1 856744237 KQJGJTQWCRCGGY-SECBINFHSA-N 322.346 -0.290 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NNc2cnnn2C)C1=O 857271138 BJDVUWACKGHOGU-UHFFFAOYSA-N 309.330 -0.631 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2cccc(O)c2)N1 858695936 GXXUUIJAPVSNIN-NSHDSACASA-N 306.322 -0.456 50 20 DBGD CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 860912808 FKNBUXWIVOGJSS-VIFPVBQESA-N 305.294 -0.285 50 20 DBGD CCOC(=O)Cn1ccc(NC(=O)NNC(=O)c2cn[nH]c2)n1 861204259 YMDQEPATWGJYNH-UHFFFAOYSA-N 321.297 -0.364 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NN(C)C(=O)OC)C1 908113795 YLZRJYDRPJFSAM-JTQLQIEISA-N 301.343 -0.009 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)c1c(C)nc2ccccn12 914751946 QCNVYWYVZSZSJC-UHFFFAOYSA-N 303.322 -0.118 50 20 DBGD CO[C@]1(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCOC1 1118185973 AIRWTSOZXAERNE-CWSCBRNRSA-N 301.343 -0.453 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1cccnc1)N1C(=O)CCC1=O 1251620216 XDOKVHCFIKEAAW-VIFPVBQESA-N 304.306 -0.691 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCc3c[nH]nc3C2)nn1 1319142700 OCJKKGLURIWXJC-SSDOTTSWSA-N 301.310 -0.453 50 20 DBGD C[C@H](CN1CCCCC1)C(=O)NN=Cc1cn(CC(=O)O)nn1 1340610171 XWFZGDZIZFENCT-LLVKDONJSA-N 322.369 -0.065 50 20 DBGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)c1cc[nH]n1 1347833685 XBFDJKFSYOXWDE-QMMMGPOBSA-N 300.340 -0.614 50 20 DBGD O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@@H](B(O)O)C1 1348490578 SVSSZPDHAVTVLH-SECBINFHSA-N 318.060 -0.058 50 20 DBGD CCCNC(=O)NNC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1573857348 POLFAUULBUDKFZ-QMMMGPOBSA-N 300.315 -0.950 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1594867453 QHNVMNKMMBKFAK-ZCFIWIBFSA-N 311.298 -0.750 50 20 DBGD Cn1nc(NC(=O)NNC(=O)c2ccncc2)cc1C(=O)O 1601014661 KHJMAQUTVCHSJQ-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1604840126 FZZLIMIGOXFXED-JTQLQIEISA-N 301.310 -0.069 50 20 DBGD O=C(COc1ccc2c(c1)CCC2)NNC(=O)C(=O)NC1CC1 8392970 PYSGQKRSXJJSHW-UHFFFAOYSA-N 317.345 -0.020 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CNC(=O)C(C)(C)C)n1 29650595 GOMWXJYQKRPYAM-UHFFFAOYSA-N 309.370 -0.190 50 20 DBGD O=C(C[C@@H]1CCCO1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952972 AWTRQMLMGUTFDV-IUCAKERBSA-N 305.356 -0.927 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 117678588 ZFLLJQHABROIAU-LLVKDONJSA-N 307.354 -0.028 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)CN1CCCCC1=O 299677555 OLIXCCSIVNGWAV-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1(O)Cc2ccccc2C1 369941419 FTFUYHDWMQPWSP-UHFFFAOYSA-N 305.334 -0.812 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584965633 UBYYKUBCCJPHIL-ZWNOBZJWSA-N 322.145 -0.460 50 20 DBGD CC(C)OC[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584976360 IXENQFTUOGLYOU-CQSZACIVSA-N 307.155 -0.368 50 20 DBGD OB(O)c1cccc(CNCc2nc([C@@H]3CCCO3)n[nH]2)c1 585045069 AOXMNYUMEMZADB-LBPRGKRZSA-N 302.143 -0.374 50 20 DBGD CC(C)c1nc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1C 585056742 WELUDWHPXVLXSL-VIFPVBQESA-N 301.177 -0.219 50 20 DBGD COC(=O)NNS(=O)(=O)c1sc(NC(C)=O)nc1C 727350378 XAYBJDMXHOWXMV-UHFFFAOYSA-N 308.341 -0.041 50 20 DBGD NC(=O)[C@H]1Cc2ccccc2N(CC(=O)NNC(=O)C2CC2)C1 733197719 ARQHNKSPITYYAY-LBPRGKRZSA-N 316.361 -0.292 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc2c(c1)OCO2 744450770 AUSOSWGYTUDRQI-NSHDSACASA-N 309.278 -0.017 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(Cl)nc(C)n1 747981000 ZQKWZQDNTYDYJS-UHFFFAOYSA-N 314.733 -0.866 50 20 DBGD CC(=O)NC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCCCC1 755268175 DJOVWWIPTAMICV-UHFFFAOYSA-N 307.354 -0.061 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1C[C@]12CCOC2 763442402 XCLLMJMKJWTUOW-OTYXRUKQSA-N 307.306 -0.417 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2ccncc12 764203769 KMIGCBBKMQEWNN-UHFFFAOYSA-N 315.333 -0.118 50 20 DBGD CCNC(=O)N(C)NC(=O)COCC(=O)NCc1cccnc1 768411373 YTUHMSFBZXXTLM-UHFFFAOYSA-N 323.353 -0.593 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CCO1 776346984 PAQXHMNEGOLTSB-GHMZBOCLSA-N 320.349 -0.226 50 20 DBGD COC[C@@](C)(O)C(=O)NNc1cccc(S(C)(=O)=O)c1 776720543 BVQOMSFKRYKHMY-GFCCVEGCSA-N 302.352 -0.069 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC[C@H]1CO 784242628 FNUCBFVRALNIGS-GHMZBOCLSA-N 303.428 -0.022 50 20 DBGD CCCNC(=O)NNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 792093495 SKONWJFMXITOBH-CQSZACIVSA-N 310.354 -0.352 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 802035981 OXYBRQXLWRLLPJ-VIFPVBQESA-N 303.322 -0.333 50 20 DBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)CC)CC1 808069106 OIUKMXYQLMIMPL-UHFFFAOYSA-N 307.372 -0.463 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNc2ccc(Cl)nn2)C1=O 823898754 NHFSCDQZCFKFDR-LURJTMIESA-N 312.717 -0.097 50 20 DBGD CCNC(=O)N(C)NC(=O)COc1ccccc1-c1nn[nH]n1 825471056 MWNCBVWODFULJL-UHFFFAOYSA-N 319.325 -0.062 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CC[C@@H](C(=O)O)C1 831071573 CVWZHDHEYCZYFD-BDAKNGLRSA-N 312.326 -0.808 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)[C@@H]1CCCCO1 836346425 UMUINDGAEJCNBR-LBPRGKRZSA-N 316.402 -0.146 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 841378079 WQEITKPQYUHQLX-WPRPVWTQSA-N 317.305 -0.099 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](C)N1CCSCC1 843660930 LUNABZPQZUJCNM-GARJFASQSA-N 301.412 -0.004 50 20 DBGD CN(CC(=O)NNC(=S)NCC1CCC1)S(C)(=O)=O 855091754 CTOUUJMHDLDWHJ-UHFFFAOYSA-N 308.429 -0.827 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2coc3c2C(=O)CCC3)N1 862462154 VAPNNNBTNYHVJR-QMMMGPOBSA-N 305.290 -0.162 50 20 DBGD COC(=O)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)(C)C 865906843 HVXVHHMVLPUPBU-LLVKDONJSA-N 311.118 -0.177 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)c1nccnc1N 920424066 LGXFNAQKWBTRFH-UHFFFAOYSA-N 317.305 -0.093 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cncc(C)c1 1116623844 ZIXIZPAPYRTLEB-SNVBAGLBSA-N 324.337 -0.473 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)o1 1118915545 ICUCZHDOGYDDIQ-QMMMGPOBSA-N 316.144 -0.781 50 20 DBGD CC[C@H](COC)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1319097333 DXTYPRNWLSWMHH-SECBINFHSA-N 309.326 -0.225 50 20 DBGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(=O)CCO 1320358453 VWEGHXXNQJYTTB-UHFFFAOYSA-N 323.305 -0.750 50 20 DBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1327268328 RGNAQAIOYZXUIM-NXEZZACHSA-N 323.353 -0.278 50 20 DBGD Cn1cnc(NC(=O)C(=O)NNCC(F)(F)C(F)(F)F)n1 1329509008 UVGLPPDWIHEWNU-UHFFFAOYSA-N 316.190 -0.428 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1 1331120066 INIJWYQPIDKBNY-NXEZZACHSA-N 320.353 -0.732 50 20 DBGD Cn1cc(NC(=O)NNc2nc(O)c3cnn(C)c3n2)cn1 1342434005 IVEKHLAAVBGYBW-UHFFFAOYSA-N 303.286 -0.049 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NN(C)CCOC)cc1 1349824592 IUVVLZSRKAUPQJ-UHFFFAOYSA-N 315.395 -0.253 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)[C@H]1CCC(=O)N1 1351373052 ZQNJHWATEBJXTR-RKDXNWHRSA-N 322.321 -0.929 50 20 DBGD C[C@H](C[S@](C)=O)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1589888434 LVAGIKRNBVRWEO-YNSPTIENSA-N 324.370 -0.345 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@H](C(=O)O)C2CCCC2)nnn1C 1605076557 HSXAYGLOHQHXGM-VIFPVBQESA-N 309.326 -0.224 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 263752018 UTHKHEWSHPPVFV-NSHDSACASA-N 324.312 -0.105 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)COCc1ccccc1 265666499 CIOKGYUQNDRWPM-UHFFFAOYSA-N 308.338 -0.330 50 20 DBGD C[C@H]1Oc2ccccc2N(CC(=O)NNC(=O)C(C)(C)O)C1=O 276303214 TXQCPALNGYWNOO-SECBINFHSA-N 321.333 -0.281 50 20 DBGD Cc1ccn2c(=O)c(C(=O)NNC(=O)[C@@H]3CCCO3)cnc2c1 294676028 PCRIPZWHCWDEBA-NSHDSACASA-N 316.317 -0.057 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ccccc1-n1cnnn1 295691874 ZDVLKUHZCORNCU-GFCCVEGCSA-N 316.321 -0.008 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 299344551 SNSBMUDVZBPXKT-NSHDSACASA-N 319.317 -0.560 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 368170080 ZZBGCYGZDVSUNX-SNVBAGLBSA-N 311.725 -0.167 50 20 DBGD C[C@@H]1NC(C(=O)NN(C)C(N)=O)=NN(c2ccccc2)C1=O 373175049 DVYWPBXSPJTMNB-QMMMGPOBSA-N 304.310 -0.634 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1COCCO1 491878657 RWEZNDFUXOPALC-SECBINFHSA-N 317.342 -0.536 50 20 DBGD CNC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 496571057 MCBDVDGAAVWNQL-UHFFFAOYSA-N 302.331 -0.815 50 20 DBGD CN(C(=O)CSCC(=O)NCB(O)O)C1CCCCC1 585059096 YXPCUPKLJBSGCV-UHFFFAOYSA-N 302.205 -0.361 50 20 DBGD CS(=O)(=O)NCCNC(=S)NNC(=O)C1CCCC1 727074230 RURWUTPAQCHACB-UHFFFAOYSA-N 308.429 -0.779 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 729833608 KQFGTYRWPBEAIY-LLVKDONJSA-N 307.306 -0.257 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3CNC[C@H]3C2)c1 744389159 MGRYZMYGINZDBG-KBPBESRZSA-N 302.378 -0.093 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C 759579239 KFVJNLNSIXDQHT-UHFFFAOYSA-N 323.419 -0.805 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CCNC(=O)C2)nc2ccccc2c1=O 760590734 YDYJFUOZPXBGRD-SECBINFHSA-N 315.333 -0.097 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1-n1c(C)cnc1O 763515492 OEADLDOOACZHNG-UHFFFAOYSA-N 317.305 -0.008 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1 764420313 DKVHOOKKPPJVBQ-UHFFFAOYSA-N 321.268 -0.910 50 20 DBGD COc1ccnc(NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)n1 771832694 KSDZSSWYQPCFRT-ZDUSSCGKSA-N 322.325 -0.303 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@H]1COC2(CCOCC2)O1 777754908 NLTFFUTYKGZEHM-JTQLQIEISA-N 317.342 -0.725 50 20 DBGD Cc1nccnc1N1CCN(CC(=O)NNC(=O)C2CC2)CC1 799327494 VDFXLHXJQCNSMC-UHFFFAOYSA-N 318.381 -0.536 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNc2ccccc2C(N)=O)cn1 809685025 WVIBOVSBYUKNEU-UHFFFAOYSA-N 316.321 -0.608 50 20 DBGD CC[C@H]1CN([C@@H](CC)C(=O)NNC(=O)Cc2cc[nH]n2)CCO1 823152252 OQFWDILQJGDCET-STQMWFEESA-N 323.397 -0.011 50 20 DBGD CCC[C@H](C(=O)NNC(=O)Cc1ccncc1)S(N)(=O)=O 829561449 NXEMLACMDMEULM-SNVBAGLBSA-N 314.367 -0.771 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccc(C#N)cn1 843980800 WUROVYNBEDKCNJ-MWLCHTKSSA-N 303.322 -0.062 50 20 DBGD CSCC1(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 846634547 YZPGXBURZCWRKU-MRVPVSSYSA-N 323.440 -0.395 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccn(CCN(C)C)n1 847393929 RMUJDSSEOFTFFT-UHFFFAOYSA-N 312.374 -0.575 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H](C(=O)O)C(C)C 848591231 QTGUFGBUOPWZRR-VHSXEESVSA-N 319.358 -0.275 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 849308381 MSSBBYNKYAVLQT-MWLCHTKSSA-N 321.399 -0.612 50 20 DBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CCNC1=O 854219211 MEGHFNZLSYTREE-NSHDSACASA-N 300.318 -0.006 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cn2cc(C3CC3)cn2)CC1 854381360 IQTFZTJBMSTTJV-UHFFFAOYSA-N 306.370 -0.251 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1ncc2ccccc2c1=O 1255919032 IQFWUOVYVNRQKR-UHFFFAOYSA-N 304.306 -0.685 50 20 DBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccc(-n2cnnn2)cc1 1261216369 SGWZDNZIWFKHHH-CYBMUJFWSA-N 320.284 -0.448 50 20 DBGD CC(=O)Nc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 1261835454 WBTLHZVOLIGLSM-UHFFFAOYSA-N 313.335 -0.549 50 20 DBGD C[S@@](=O)c1nncn1CC(=O)NNC(=O)c1cccs1 1318750954 VHWWETLRNFVQOE-HXUWFJFHSA-N 313.364 -0.462 50 20 DBGD O=C(CN1CCCCC1=O)NNC(=O)C(=O)Nc1ccccn1 1319268309 OLXLHCFBNGXVBO-UHFFFAOYSA-N 319.321 -0.820 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2n(c1=O)CCS2 1320106146 DNAVOXWNKLNNPE-UHFFFAOYSA-N 320.334 -0.924 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(Cl)cn1 1322103701 IOLGDSYCPXGZRC-UHFFFAOYSA-N 322.712 -0.213 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1n[nH]cc1Br 1322249169 ORLYZDJDPZZHPA-UHFFFAOYSA-N 320.103 -0.824 50 20 DBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326716383 UXRAFLMEHGFIKQ-VDTYLAMSSA-N 304.328 -0.700 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1 1328730068 PQHCDHHJHNNPAS-LBPRGKRZSA-N 320.349 -0.236 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@@H]2CCCCN2C1=O 1329752255 CKIIADCCQSUYSN-UWVGGRQHSA-N 306.326 -0.493 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@@H]1CCC(=O)NC1 1330119106 MCCCTKDRYDZWBS-JTQLQIEISA-N 316.427 -0.223 50 20 DBGD O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@H](B(O)O)C1 1335432253 MCDNINOZFFEQNU-NSHDSACASA-N 301.115 -0.720 50 20 DBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)C(=O)N2CCCC2)C1 1343794239 AMYLEMNAYWEYIR-SNVBAGLBSA-N 310.354 -0.985 50 20 DBGD O=C(NNC(=O)C1CCC1)C(=O)Nc1ccnc(OCCO)c1 1346855536 PLUNMSBVCIQXHE-UHFFFAOYSA-N 322.321 -0.661 50 20 DBGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)C1CCOCC1 1353034431 HJOYVWZKTSGTFI-CMPLNLGQSA-N 315.370 -0.063 50 20 DBGD C[C@@]1(C(=O)NNC(=O)COc2ccccc2O)C[C@H](O)CN1 1573600613 HUUYPTNESWGLMH-XPTSAGLGSA-N 309.322 -0.969 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]c(C(=O)O)c2)n1 1600178788 KKJKLYOURQLYKY-UHFFFAOYSA-N 305.294 -0.013 50 20 DBGD Cc1c(C(=O)NNC(=O)CN(C)C)cnn1-c1ccncc1 120087889 IFKJWIUVAYRJLM-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD O=C(CN1C[C@@H](O)C[C@H]1C(=O)O)NNC(=O)c1cccs1 228608594 ZYOWWVCCFGHXPN-YUMQZZPRSA-N 313.335 -0.971 50 20 DBGD NNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 492862590 GZUVAFYTGPHTSF-JECSTDCCSA-N 302.334 -0.220 50 20 DBGD CC(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584963330 YFHUGJMSJNKBMP-LLVKDONJSA-N 322.145 -0.508 50 20 DBGD CC[C@@H](NCc1cccc(B(O)O)c1)C(=O)N1CCOCC1 585025711 AQXCUGCBKGROBG-CQSZACIVSA-N 306.171 -0.907 50 20 DBGD C[C@H]1C[C@@H]1C(=O)NCCc1nc(-c2ccc(B(O)O)cc2)no1 585050932 QCHSSIIGIYUSQP-CABZTGNLSA-N 315.138 -0.269 50 20 DBGD CC(=O)N1C[C@@H](O)C[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1 585053139 BRMZCIDQADDTED-NWDGAFQWSA-N 317.110 -0.929 50 20 DBGD O=C(CCn1ccnc1)NNC(=O)CNC(=O)c1cccs1 725740065 RECAZWPSLRNLOU-UHFFFAOYSA-N 321.362 -0.088 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733171379 WTSYDWUBEANMBD-VIFPVBQESA-N 316.321 -0.310 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1 746765941 AYAQHGVDDSEIHT-JOCHJYFZSA-N 323.378 -0.414 50 20 DBGD CCCCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)c(C)o1 755643748 RCUFOJBXYTUGED-UHFFFAOYSA-N 318.355 -0.020 50 20 DBGD CCN(CC)C(=O)CCC(=O)NNc1ccc(C(N)=O)nn1 757402238 LECAGPJKCPECOV-UHFFFAOYSA-N 308.342 -0.333 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)[C@@H]1CCNC1=O 759434550 CHPSGRATITUQNC-GFCCVEGCSA-N 315.333 -0.860 50 20 DBGD C=C(C)CNC(=S)NNC(=O)CNC(=O)c1cccnc1 763162492 CAPLALPKPXZWIR-UHFFFAOYSA-N 307.379 -0.117 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C 775275921 NGDUCMPXYNUCNK-UHFFFAOYSA-N 319.387 -0.434 50 20 DBGD CC(C)(O)C(=O)NN=C1CCN(CCN2CCOCC2)CC1 785466308 QTTGVICMDHTGJP-UHFFFAOYSA-N 312.414 -0.343 50 20 DBGD COCCN1CN(S(=O)(=O)CBr)CC1=O 800979894 DBOPEBHEKXJOCP-UHFFFAOYSA-N 301.162 -0.583 50 20 DBGD O=C(CN1CC[C@H](CO)[C@@H](O)C1)NNC(=O)c1ccccc1 808750121 GUSZPXXDLYEXSN-OLZOCXBDSA-N 307.350 -0.877 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](c2nc(O)n[nH]2)C1 808777271 JCARFIZQKSQMQI-RKDXNWHRSA-N 310.358 -0.364 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1cccn1C)C(C)=O 816823987 MHSXLTXBUUMNTD-JTQLQIEISA-N 309.322 -0.056 50 20 DBGD O=C(NNc1ncccn1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 826449943 QAOUNLJNSVQPLD-SNVBAGLBSA-N 312.293 -0.167 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1cnn(C)c1)C(C)=O 828087369 JFIWKQHEIKAGAG-SNVBAGLBSA-N 310.310 -0.661 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 829503553 FMCDJHKZRGMZBK-GFCCVEGCSA-N 315.333 -0.355 50 20 DBGD Cc1cc(F)c(S(=O)(=O)NNC(=O)NCC(=O)O)cc1F 833744607 KISPICFPKFPJJV-UHFFFAOYSA-N 323.277 -0.150 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccccc1C(N)=O 843969943 ADPUTSSSFFEQFU-NXEZZACHSA-N 320.349 -0.230 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)c2ccc[nH]2)CC1 849303361 BSMRZZBPQQPYTP-UHFFFAOYSA-N 302.356 -0.395 50 20 DBGD C[C@H](C(=O)NNC(=O)CC1CC1)n1cnc2c(N)ncnc21 854667453 KGZGXUXMVUDAEA-SSDOTTSWSA-N 303.326 -0.083 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCOC3(CCC3)C2)N1 858514035 NNUXLCPLXCRNEM-WDEREUQCSA-N 324.381 -0.055 50 20 DBGD CN(C)c1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858694402 NUMIHUBOKRFCEB-GFCCVEGCSA-N 319.365 -0.138 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C(C)C)n1 862454479 GXMDBDDCMVHUKD-SNVBAGLBSA-N 305.338 -0.052 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCc3ccccc3O2)N1 862458898 GCWILUGGQZWIHF-PWSUYJOCSA-N 303.318 -0.194 50 20 DBGD CC(C)Nc1ncccc1C(=O)NNC(=O)CS(C)(=O)=O 863463789 ULVQHUSLYSLIBR-UHFFFAOYSA-N 314.367 -0.293 50 20 DBGD C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)CS(C)(=O)=O 863463932 ZMJLSBJOFYOWPZ-VHSXEESVSA-N 306.384 -0.226 50 20 DBGD O=C(NNc1nc2ccccn2n1)C1CN([C@@H]2CCOC2)C1 897552743 QTEGNKWPHLYZBG-LLVKDONJSA-N 302.338 -0.107 50 20 DBGD COC(=O)C(=O)NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 1116191987 SMQDHDCLGUVUKK-NSHDSACASA-N 309.297 -0.061 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 1116379970 HWKYOFMPEOJBCG-BXKDBHETSA-N 319.383 -0.945 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)n1 1116865778 RSDFBZGQMPGVRU-ONGXEEELSA-N 321.337 -0.633 50 20 DBGD CO[C@]1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCOC1 1118185970 AIRWTSOZXAERNE-BREBYQMCSA-N 301.343 -0.453 50 20 DBGD CC(C)(CCCO)CNC(=O)NNC(=O)C(=O)NC1CC1 1254098544 RIOBVRDXUKMKIX-UHFFFAOYSA-N 300.359 -0.606 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnnc(O)c2)C[C@H](C)O1 1261762523 WBWKVFOAUBGACW-UWVGGRQHSA-N 323.353 -0.558 50 20 DBGD O=C(NC[C@H]1CCN(C2CC2)C1)NNC(=O)C(=O)NC1CC1 1319046697 HTNKSEVCZQGQMB-SECBINFHSA-N 309.370 -0.920 50 20 DBGD O=C1CN(c2ccnc(C(=O)NNc3cccnn3)c2)CCN1 1321728386 CXSDEGOYKQLAMP-UHFFFAOYSA-N 313.321 -0.435 50 20 DBGD CNC(=O)NNC(=O)c1cc(Cl)sc1S(N)(=O)=O 1321826663 SOWRHQYBLYRRPJ-UHFFFAOYSA-N 312.760 -0.377 50 20 DBGD CC(C)n1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1324409100 KAHLRMJODUIBKY-VIFPVBQESA-N 314.367 -0.340 50 20 DBGD COc1ccc(S(=O)(=O)NNC(C)=O)cc1NC(C)=O 1324990674 JKBJFAZGJIZJSK-UHFFFAOYSA-N 301.324 -0.017 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)sn1 1325329364 WENFBEBGIRRPEG-UHFFFAOYSA-N 308.323 -0.117 50 20 DBGD CCc1ncc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)s1 1325503623 NCECXJVRFSEQDU-UHFFFAOYSA-N 320.396 -0.460 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNc3cnnn3C)CC2=O)cn1 1330247440 XJMSDXBFMFGHTR-QMMMGPOBSA-N 304.314 -0.955 50 20 DBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1357143813 BTIZAVYFKVJHFA-GUBZILKMSA-N 300.359 -0.344 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1C[C@@H](OC)CN1 1574049041 RPNCUUZUEIVWGW-ZYHUDNBSSA-N 322.365 -0.369 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H](N)CCS(C)(=O)=O)C1CC1 1576233496 HPYPMWOZMYEOKW-APPZFPTMSA-N 322.456 -0.958 50 20 DBGD COc1ccc(NC(=S)NNC(=O)C[C@H](O)CN)cc1F 1579227878 IKRXGQWNVXSHDS-QMMMGPOBSA-N 316.358 -0.138 50 20 DBGD O=C(O)CSCCNC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1602099625 FJXKYGBBUASQAG-HRDYMLBCSA-N 317.367 -0.298 50 20 DBGD O=C(O)c1cccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1F 1602448884 WNOXDZQTXLLWKE-QMMMGPOBSA-N 317.298 -0.341 50 20 DBGD CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362570 GCZPTTYWRKEAAE-JXUBOQSCSA-N 306.721 -0.301 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N(C)C 106914537 HGCIFVVZCYZQHA-LBPRGKRZSA-N 310.354 -0.257 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2cccc(F)c2)cn1 117987581 FLFLLJQMJJZREJ-UHFFFAOYSA-N 319.296 -0.250 50 20 DBGD CN1CCC[C@@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 139664151 KQDMCAAUJXHPTC-PWSUYJOCSA-N 304.416 -0.538 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 172082243 RLVDWKPUOSASTA-UHFFFAOYSA-N 300.278 -0.336 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 273121344 CNRATECTTLEHOK-JGVFFNPUSA-N 314.342 -0.674 50 20 DBGD CC(C)n1cccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273355836 BSLFBZUANMYHNP-VIFPVBQESA-N 316.383 -0.232 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CNS(=O)(=O)c1cccnc1 289444112 GGBDTFUZZSRLEX-UHFFFAOYSA-N 314.367 -0.447 50 20 DBGD COC(=O)N(C)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 495825878 UFWPMFPTZIKOOH-UHFFFAOYSA-N 305.312 -0.127 50 20 DBGD COCCN(C)CCCNC(=O)c1cc(B(O)O)ccc1F 584928261 GTFMJNAKFZWBAL-UHFFFAOYSA-N 312.150 -0.796 50 20 DBGD C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(B(O)O)c(F)c1 584944856 CVOFNBQYAHDREP-CMPLNLGQSA-N 306.146 -0.186 50 20 DBGD O=C(NCC1(O)CCSCC1)c1cc(B(O)O)ccc1F 584955939 YUWLKIBKQXWJSU-UHFFFAOYSA-N 313.159 -0.507 50 20 DBGD C[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(B(O)O)c(F)c1 584961046 WTIZIHAWMPKCEH-MRVPVSSYSA-N 317.147 -0.942 50 20 DBGD Cc1nc([C@@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)n[nH]1 585002008 KCHHFNIXKBKLTL-SNVBAGLBSA-N 318.117 -0.438 50 20 DBGD C[C@H]1COCCN1C[C@@H](C)NCc1ccc(B(O)O)cc1F 585020925 CHMWNDXJKJUYRO-NEPJUHHUSA-N 310.178 -0.296 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)nn1C 751206106 CGWPUXQXGCDRQC-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 764304410 ZPJLLUCZQIZMKX-UHFFFAOYSA-N 317.305 -0.395 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1O 768765740 GOSBILWFTDLGCH-MFKMUULPSA-N 302.334 -0.368 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 770855818 GBLLHPVXLNFJDS-ONGXEEELSA-N 306.322 -0.616 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](CO)c1cnn(C)c1 778136108 COOICELSZNROLT-ZYHUDNBSSA-N 311.386 -0.375 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 790065936 UJZLCMZCQRDYFH-UHFFFAOYSA-N 315.286 -0.132 50 20 DBGD N#Cc1ncn(CCNC(=O)NNc2ncncc2Cl)n1 805823693 LZWXLHIQHILQFV-UHFFFAOYSA-N 307.705 -0.081 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2cncn2C)n1 812487829 WEYJMILUULVPKH-UHFFFAOYSA-N 305.342 -0.236 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]1 815164332 VVTYQJZSEVVNES-UHFFFAOYSA-N 308.294 -0.815 50 20 DBGD CCN(CCO)NC(=O)Cn1ccc(Br)cc1=O 823903081 YSQNSDRXDPXDQX-UHFFFAOYSA-N 318.171 -0.044 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C[C@@H]1CCC(=O)N1 826774139 PIWFAUJENFAHQU-VIFPVBQESA-N 307.306 -0.413 50 20 DBGD CC1=C(C(=O)NNC(=O)NCC2CC2)[C@H](C)n2nnnc2N1C 847390702 JUTPOFAAXSLTLP-QMMMGPOBSA-N 320.357 -0.302 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 848100232 LJPCPZZDQIVEBX-WDEREUQCSA-N 305.334 -0.103 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=S)N[C@H](C)C1CC1 855096569 CISCOTLFYQWNAV-SCZZXKLOSA-N 316.427 -0.587 50 20 DBGD C[C@@]1(CNC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1Br 857385149 DXZNPYISLCYPIG-LDWIPMOCSA-N 316.159 -0.333 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858296633 RPWUWPXEDGAATL-DVVUODLYSA-N 309.370 -0.922 50 20 DBGD COc1ccc(CNC(=S)NNC(=O)[C@@H]2CCC(=O)N2)cc1 913514802 JOHPZSLXYWRIQI-NSHDSACASA-N 322.390 -0.031 50 20 DBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)NC1CCCCC1 918551877 JQMXDURPRTZYFU-UHFFFAOYSA-N 311.302 -0.151 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C(F)F)n1 1116374493 JSRUPSVFWBDEST-UHFFFAOYSA-N 315.280 -0.259 50 20 DBGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)CO)CC1 1116924443 LDIXBMUWCUXSNE-VIFPVBQESA-N 317.411 -0.636 50 20 DBGD CN(C)C(=O)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 1319417506 OXNVDESATHGDTM-UHFFFAOYSA-N 322.369 -0.142 50 20 DBGD C=C[C@](C)(CCOC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1320573877 HMGMWVMIXUTHJR-ZWNOBZJWSA-N 318.395 -0.203 50 20 DBGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1320995660 AZGJGIXGVKGFJR-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD CCc1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 1326046916 JLTUNVVUHLUWMB-WCBMZHEXSA-N 321.337 -0.450 50 20 DBGD O=C(NC[C@H]1CCCS1(=O)=O)NNC(=O)c1ccc[nH]1 1326768356 LDKRPZYQJWFWFD-MRVPVSSYSA-N 300.340 -0.464 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@H]1CCCS1(=O)=O 1329038183 GACMHBSIGAULDS-SECBINFHSA-N 301.324 -0.313 50 20 DBGD CCn1cc([C@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1329174753 HFLOMONQNWFFRZ-WCBMZHEXSA-N 308.342 -0.427 50 20 DBGD O=C(Cc1c[nH]c2cnccc12)NNC(=O)[C@@H]1CCC(=O)N1 1329643797 DCOSJQVOGAVYAD-JTQLQIEISA-N 301.306 -0.469 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccccc2Cl)C1=O 1331902021 YVDSKZQHPAXBMT-JTQLQIEISA-N 311.725 -0.042 50 20 DBGD COC[C@H](C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1331970169 JEHIGGRSIQWRRL-BDAKNGLRSA-N 307.372 -0.824 50 20 DBGD COc1cc(CCC(=O)NNC(=O)C(=O)N2CCCC2)on1 1334633546 RIOROUJCPRILSW-UHFFFAOYSA-N 310.310 -0.614 50 20 DBGD C#CCn1ccnc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1346846773 NGIDKCDZBZEZAH-JTQLQIEISA-N 309.351 -0.664 50 20 DBGD CC(C)CN1CCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 1357881228 VNMUXLRMFKDQRV-LBPRGKRZSA-N 310.398 -0.123 50 20 DBGD CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)[C@H]1CCN1 1575522172 ITLNCDHBTNSIBN-NEPJUHHUSA-N 310.398 -0.077 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1589415299 GLHWCYKRPNQFAL-BDAKNGLRSA-N 323.305 -0.881 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNC(=O)C2CCCC2)C1=O 1595084974 ZPDSAVVQYOPVEK-JTQLQIEISA-N 311.338 -0.353 50 20 DBGD O=C(O)c1ccc(NC(=O)c2cc(B(O)O)ccc2F)cn1 1602378339 UPZNCKMSFSFHRK-UHFFFAOYSA-N 304.042 -0.149 50 20 DBGD C=CCNC(=S)NNC(=O)c1ncc(-c2nn[nH]n2)cc1C 1602866799 MMWLVLHKMGLEQC-UHFFFAOYSA-N 318.366 -0.135 50 20 DBGD O=C(NCc1ccccc1Cn1ccnc1)NNC(=O)C(=O)O 1610698447 VDHDEOUKDCRKPY-UHFFFAOYSA-N 317.305 -0.154 50 20 DBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)O)C2 1846364865 NNWRVQCMMZGXNP-ZJUUUORDSA-N 304.774 -0.176 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)Cn1nc(C)cc1C)C(C)C 5704529 ZNSNXTWSPIVOFO-CYBMUJFWSA-N 309.370 -0.192 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)c2ccccc2F)C1=O 8141697 RFWNLXOWOJBZSG-UHFFFAOYSA-N 308.269 -0.519 50 20 DBGD CCNC(=O)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 65190483 UBJZCUYLIZRCHX-UHFFFAOYSA-N 311.342 -0.409 50 20 DBGD Cc1ccc(O)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 264129212 MILLTSXIZDKFGB-QMMMGPOBSA-N 315.351 -0.601 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cncnc1OC 273501787 YXLOEPOJRMWHOM-QMMMGPOBSA-N 313.314 -0.311 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNc2ncccn2)c(=O)c1 279532325 LBPYEPMSVBJJRG-CQSZACIVSA-N 303.322 -0.159 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)n1C 295274033 CLYVFOIJFPZPHK-UHFFFAOYSA-N 323.353 -0.587 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)CCn1cncn1 298114398 OUODYPRVVUQCKU-UHFFFAOYSA-N 318.337 -0.064 50 20 DBGD COC(=O)N(C)NC(=O)CNS(=O)(=O)c1ccccc1 496334096 ZKSSOAZGYVJAAX-UHFFFAOYSA-N 301.324 -0.306 50 20 DBGD C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(B(O)O)c(F)c1 584944864 CVOFNBQYAHDREP-PWSUYJOCSA-N 306.146 -0.186 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(O)(C(F)F)CC1 584973548 HWOIXGZAJCGGEP-UHFFFAOYSA-N 317.072 -0.262 50 20 DBGD COCCn1cc(CNC(=O)c2ccc(B(O)O)c(F)c2)cn1 584986659 JGZRJBYWUCTZKP-UHFFFAOYSA-N 321.117 -0.722 50 20 DBGD CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2ccc(B(O)O)cc2)[C@H]31 584988477 OPYDGKMJXAICKA-XSXPHNMFSA-N 301.151 -0.138 50 20 DBGD O=C1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCCN1 726790885 FPVMTUOQDABFMC-UHFFFAOYSA-N 308.313 -0.591 50 20 DBGD O=C(O)CCS(=O)(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 739741885 HMXQADFNHKQMEG-UHFFFAOYSA-N 317.279 -0.366 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)N(C)C)C1 746014273 BGHHUPNCOBLDTH-SECBINFHSA-N 306.388 -0.650 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cn1 750658289 RRPMGNRYWJDWAG-SECBINFHSA-N 306.326 -0.873 50 20 DBGD NC(=O)c1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cn1 757701159 XAENREHIUUXUFO-UHFFFAOYSA-N 303.282 -0.701 50 20 DBGD CCCCNC(=O)NNC(=O)CNS(=O)(=O)CCOCC 758186515 HDNQXGBAZJHTFS-UHFFFAOYSA-N 324.403 -0.927 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)ncn2C 764204792 ZJPQTJHQALGVSG-UHFFFAOYSA-N 318.337 -0.779 50 20 DBGD C[C@]1(NNC(=O)NCCC2(O)CCC2)CCS(=O)(=O)C1 807265646 KTENVIVFZXAFEQ-NSHDSACASA-N 305.400 -0.328 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 843645121 FCLBFIUAYKSTRT-ZJUUUORDSA-N 316.321 -0.152 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 843970005 AUIZNHJZQCUNJG-SVRRBLITSA-N 309.282 -0.242 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1COCCN1CC(F)F 843970440 GATZJQVZDYMQDR-IVZWLZJFSA-N 321.324 -0.475 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1 847287222 PQLUTJGQRNGWNI-NWDGAFQWSA-N 316.317 -0.404 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)nc1C 847673392 FRZZWFAUTIBWCT-RKDXNWHRSA-N 321.337 -0.084 50 20 DBGD O=C(NN=C1CCN(CCO)CC1)[C@@H]1CN2CCC[C@@H]2CO1 853390705 JERMAYHWJYFBPM-KGLIPLIRSA-N 310.398 -0.590 50 20 DBGD CCCC[C@H](COC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858233511 PNURZCZAWXLPEL-NXEZZACHSA-N 300.359 -0.199 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 861961396 UQTJWFUPVOPYCS-QMMMGPOBSA-N 308.429 -0.875 50 20 DBGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cn[nH]c1)CS2 862473722 ZORCMSZNBWZGNS-QPUJVOFHSA-N 309.351 -0.375 50 20 DBGD COc1ccnc(C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O)c1 863090359 JQHKWXWGVVHPOX-VIFPVBQESA-N 314.367 -0.132 50 20 DBGD COC(=O)c1cc(C=NNC(=O)CS(C)(=O)=O)cn1C 863186897 PUEIRCJUEGOVSV-UHFFFAOYSA-N 301.324 -0.694 50 20 DBGD C[C@H](Oc1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 863456984 ANNRSHKMWMEZMK-VIFPVBQESA-N 300.336 -0.354 50 20 DBGD COCCOCC(=O)NNC(=O)c1nn(C)c2ccccc12 869901277 PXDJTUHASSFBOI-UHFFFAOYSA-N 306.322 -0.003 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1c[nH]nc1-c1cccnc1 1116545271 HXQLSWNQQJQHEA-UHFFFAOYSA-N 316.321 -0.243 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)N1 1118909024 FYPJKGUHZVIRHT-IXMYILBSSA-N 307.350 -0.192 50 20 DBGD Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261830507 ZGXDLVFZBFSGCP-RXMQYKEDSA-N 319.243 -0.223 50 20 DBGD O=C(CCN1CCOCC1)NNC(=O)c1n[nH]c2c1CCCC2 1318136993 WURGBSGPNLKYDT-UHFFFAOYSA-N 321.381 -0.228 50 20 DBGD COc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1[N+](=O)[O-] 1318194855 FLRPFUXOCDSIBA-UHFFFAOYSA-N 322.277 -0.357 50 20 DBGD O=C(CC[C@H]1CCCO1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319301406 GSSJWDGDNYXYRM-VHSXEESVSA-N 304.368 -0.472 50 20 DBGD C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N1C(=O)CCC1=O 1321307715 UQZUBVVQBAQMDZ-MRVPVSSYSA-N 305.294 -0.806 50 20 DBGD CN(CC1(C)COC1)C(=O)NNC(=O)CNC(=O)c1ccco1 1328700948 ULPQTYHLNPSTIH-UHFFFAOYSA-N 324.337 -0.282 50 20 DBGD Cc1c([C@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cnn1C 1331504109 NMXWJOOLFJLXDK-XVKPBYJWSA-N 308.342 -0.601 50 20 DBGD CC(C)N1CCN(CCC(=O)NNC(=O)Cc2cc[nH]n2)CC1 1334747900 YJEDDDHHSMJHRY-UHFFFAOYSA-N 322.413 -0.484 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCNC2)C[C@H]1Br 1335252624 BNLGIVUZHSGVRK-XLDPMVHQSA-N 304.188 -0.246 50 20 DBGD O=C(NNC(=O)c1cnsn1)c1cncc(-c2cnn[nH]2)c1 1578014645 GUPJWGFQTQCFLB-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD O=C(CS(=O)(=O)C1CC1)NNc1ccc(-c2nn[nH]n2)cc1 1582132493 LVRXYILSUWREEE-UHFFFAOYSA-N 322.350 -0.113 50 20 DBGD O=C(Cc1ncc[nH]1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1582183907 OEPNGKVNJGGLTP-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)Nc1ccc(C(=O)O)cc1 1601553415 HEWNXGDUZJVGCG-SNVBAGLBSA-N 309.278 -0.047 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@]2(CC(C(=O)O)=NO2)C1 1604860203 SPECITKRKVGUBL-SDBXPKJASA-N 312.326 -0.762 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)C(=O)NNC(=O)CC1CC1 1610613738 FWEWPJMSBRMNLJ-UHFFFAOYSA-N 309.282 -0.996 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1cccn2c(C(=O)O)cnc12 1776097045 FLESRYRRJYXFTO-UHFFFAOYSA-N 324.318 -0.473 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ncon2)C1 1844591611 OHTKHMAEOCRFRR-QMMMGPOBSA-N 314.729 -0.514 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)COc1ccccc1C#N 43715467 LOLDMGLDVCNXNT-UHFFFAOYSA-N 319.321 -0.644 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)NC1CC1 138678794 VNUODSRNXHYWMS-UWVGGRQHSA-N 308.338 -0.346 50 20 DBGD COCCN1C[C@@H](C(=O)NNc2ncnc3nc[nH]c23)CC1=O 266423608 BHZWCIAEVKPTMH-QMMMGPOBSA-N 319.325 -0.709 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 272704421 VNLRGIWNLNJZJE-FSZOTQKASA-N 320.349 -0.514 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 276264875 NTCOPUTUWOXATL-LBPRGKRZSA-N 319.361 -0.047 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 276332185 YIPRUUVPTOHYCW-RKDXNWHRSA-N 311.338 -0.920 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 299466226 DTISRCGGTOGKKN-UHFFFAOYSA-N 316.317 -0.293 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NNC(=O)c2cnn[nH]2)cc(C#N)n1C 490637357 GYRMDQYREUWKEH-KMKOMSMNSA-N 324.304 -0.309 50 20 DBGD CNC(=O)CC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584955215 PHDSLMWGTWDDQV-UHFFFAOYSA-N 322.145 -0.506 50 20 DBGD CC(=O)N1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584993333 QFVPXWPOEIMCTB-SNVBAGLBSA-N 308.118 -0.896 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccn1 729276341 CTZQFDNVTNCKEG-ZETCQYMHSA-N 301.328 -0.828 50 20 DBGD CN1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 732259128 MEHPSCQLVWRLTC-VHSXEESVSA-N 303.384 -0.947 50 20 DBGD COC(=O)C1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 754942364 BUGHLNDXQAOQFH-IENPIDJESA-N 319.383 -0.241 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 755268982 JLTMGKDYLMTWKJ-UHFFFAOYSA-N 303.278 -0.405 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CCCCO1 758040397 PFDNCFQTKYXPON-IUCAKERBSA-N 307.372 -0.969 50 20 DBGD CCc1ocnc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763824483 LRYBTIOZRSZMAD-UHFFFAOYSA-N 317.305 -0.177 50 20 DBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)NCCCOC)C1 773061104 WEWHYTPKPKLTPT-SNVBAGLBSA-N 300.359 -0.388 50 20 DBGD COc1ccnc(NNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)n1 788282282 VUDALFFHSCZPPW-YUMQZZPRSA-N 302.356 -0.003 50 20 DBGD Cn1nnc2c(C(=O)NNC(=O)Cc3ccncc3)ccnc21 800907959 XDKZHUBKCYJJDY-UHFFFAOYSA-N 311.305 -0.238 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)N=c1cc[nH]cc1 802022617 DMMIBGGBGZBJDL-QMMMGPOBSA-N 300.340 -0.663 50 20 DBGD CCOC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCCC1 806787738 MHJCAWMCQGWBNT-VIFPVBQESA-N 321.399 -0.579 50 20 DBGD Cn1nncc1NC(=O)NNC(=O)COc1ccccc1O 809902201 UHYDVUPMOOBARL-UHFFFAOYSA-N 306.282 -0.248 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCC(C)(C)C(=O)O 818625187 XPCQPWZJKDYLQE-VIFPVBQESA-N 319.358 -0.131 50 20 DBGD CCC[C@H](C(=O)NNC(=O)NCc1ccco1)S(N)(=O)=O 823792798 FCVXMIPANDGUNF-SECBINFHSA-N 318.355 -0.433 50 20 DBGD COc1cc(F)cc(NNC(=O)CNS(=O)(=O)N(C)C)c1 830843213 WINVRPYFUWIXHA-UHFFFAOYSA-N 320.346 -0.327 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NNC(=S)NCC1CC1 849252701 HHPPDWBLQBNPMD-SNVBAGLBSA-N 300.428 -0.140 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)C[C@@H]1COCCO1 852497269 WOVFCWQUKGAASD-SNVBAGLBSA-N 313.379 -0.144 50 20 DBGD C[C@H](N)CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 857112438 LUUOZKHRUIEXOL-ZETCQYMHSA-N 311.298 -0.018 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H](O)c2cccc(F)c2)N1 858696108 IMRAHBTXIUTTRH-MNOVXSKESA-N 324.312 -0.532 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCNC1 861705107 IQHUYZLRURNACM-LLVKDONJSA-N 303.322 -0.371 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCCC1 862452155 JQMJEXUHTCMHDK-DGCLKSJQSA-N 310.398 -0.077 50 20 DBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453669 MDDWCOJWULQCLP-JTQLQIEISA-N 312.370 -0.549 50 20 DBGD Cc1c(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862457109 AZGXWTQUMCQOKN-SNVBAGLBSA-N 320.305 -0.128 50 20 DBGD CC1(C)C[C@](C)(NC(=O)c2cc(B(O)O)ccc2F)C(=O)O1 863884088 YATUIQXUGJGWLR-AWEZNQCLSA-N 309.102 -0.281 50 20 DBGD OB(O)c1cccc(CNC[C@@H]2COC3(CCOCC3)O2)c1 863891537 SEABTNYDHRWLHA-CQSZACIVSA-N 307.155 -0.622 50 20 DBGD CCN(C(=O)c1cc(B(O)O)ccc1F)C(C)(C)C(=O)OC 886433018 TUIXKXMCCZGSTP-UHFFFAOYSA-N 311.118 -0.081 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 910161410 ZISNIDMVYHFRPD-NSHDSACASA-N 323.397 -0.101 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(OC(F)F)n(C)n1 1116634075 CUSOMOUEMGQUMR-UHFFFAOYSA-N 319.268 -0.693 50 20 DBGD CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)co1 1118914571 BMKCASHUZJNWHI-SECBINFHSA-N 316.144 -0.781 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2CCCNC2=O)cc1 1317850344 HPSDDIARKRJXIZ-UHFFFAOYSA-N 306.322 -0.129 50 20 DBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccn1 1318190092 BHNLIJDIUVMOBB-UHFFFAOYSA-N 318.289 -0.126 50 20 DBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2ccncc2)C1 1318891975 VTQISKJTVHRMRH-NSHDSACASA-N 305.338 -0.438 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C1CCN(c2cnccn2)CC1 1320633996 ZOFUWNLGOYSFLV-UHFFFAOYSA-N 307.354 -0.389 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)(C)C 1325515072 DXHSWLXABIZJTG-UHFFFAOYSA-N 310.358 -0.714 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)N1 1329175659 ZBGVVIYDEKPNRW-CHWFTXMASA-N 310.354 -0.447 50 20 DBGD Cn1nc(CC(=O)NNC(=O)CS(C)(=O)=O)c2ccccc21 1331736346 KYQKMGSGQSUVLY-UHFFFAOYSA-N 324.362 -0.692 50 20 DBGD CCOCc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 1337974325 LOZYPAMZMWEGRS-UHFFFAOYSA-N 309.322 -0.045 50 20 DBGD CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 1342606021 CTAGEWUXCRGCCO-UHFFFAOYSA-N 308.294 -0.887 50 20 DBGD COc1nccnc1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549318078 ABIHQCCFHRSITK-ZYHUDNBSSA-N 305.338 -0.202 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)n[nH]1 1574326010 FULFXYBHPDCMIN-ONGXEEELSA-N 324.337 -0.322 50 20 DBGD O=C(O)CCCNC(=S)NNC(=O)CCN1CCOCC1 1601993519 OHFPFQJFXVSFDY-UHFFFAOYSA-N 318.399 -0.931 50 20 DBGD O=C(Nc1nc2n(c1C(=O)O)CCC2)c1cccc(B(O)O)c1 1608527019 SDCMYUOAMSSVIV-UHFFFAOYSA-N 315.094 -0.540 50 20 DBGD CC(=O)CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609061524 JIFDJRGEWCJOIX-UHFFFAOYSA-N 302.294 -0.003 50 20 DBGD O=C(NN=Cc1cc(C(=O)O)co1)N[C@H]1CCS(=O)(=O)C1 1610699382 WEJIUJVNTHLRGS-QMMMGPOBSA-N 315.307 -0.202 50 20 DBGD CC(C)(O)CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350589 LMLVDYZRWFEHGL-JTQLQIEISA-N 318.801 -0.050 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1 1842422262 DDMHBQUKALNJON-SNVBAGLBSA-N 312.757 -0.174 50 20 DBGD CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1842836553 XQNHOPXVGHQRLY-MRVPVSSYSA-N 305.737 -0.188 50 20 DBGD CCN1C(=O)C(=CNNC(=O)C2CC2)C(=O)N(CC)C1=S 60862760 ADCLRRHDPBIOHA-UHFFFAOYSA-N 310.379 -0.103 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Cn1c(=O)oc2ccccc21 106452180 LIRRGJHXFOJZQY-UHFFFAOYSA-N 315.289 -0.292 50 20 DBGD O=S1(=O)CC[C@H](CNS(=O)(=O)CBr)C1 126685764 DMNNUEYRZICWIR-ZCFIWIBFSA-N 306.203 -0.307 50 20 DBGD N#Cc1c[nH]c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 175510098 WHVQENPQLKBJQW-UHFFFAOYSA-N 301.262 -0.330 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)C1CCC1 264755960 LXKJQCRVIBQXND-UHFFFAOYSA-N 308.338 -0.202 50 20 DBGD CN(C)S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 265747826 IKMSQRMFDYMSCT-UHFFFAOYSA-N 301.324 -0.501 50 20 DBGD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NN(C)C(N)=O 271255054 FRJNHCOBSQMITB-SSDOTTSWSA-N 309.282 -0.245 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)COc2ccccc2O)C1 276686877 RLOZTBXPCAQTRQ-UHFFFAOYSA-N 307.306 -0.603 50 20 DBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H](C)CS(C)(=O)=O 584944983 NYAGPANZZDGAJT-JTQLQIEISA-N 313.184 -0.738 50 20 DBGD C[C@@H](O)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1C 584953739 XGHZNWGZBOVDQK-GHMZBOCLSA-N 324.161 -0.967 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 584996771 PIGHLGWBASKGTJ-NFAWXSAZSA-N 303.167 -0.011 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@](O)(C(F)F)C1 584997867 MIMAIZFIZZSEEU-GFCCVEGCSA-N 303.045 -0.652 50 20 DBGD CC(C)(CNC(=O)c1ccc(B(O)O)cc1)[C@@]1(O)CCCOC1 585006345 UFTJYUQWBGCAQZ-MRXNPFEDSA-N 321.182 -0.336 50 20 DBGD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c(F)c1 585057304 BTFGBYMXRIBIBF-ZETCQYMHSA-N 318.091 -0.029 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)C 732062111 QACOQSGFSUEXPX-ZJUUUORDSA-N 320.415 -0.910 50 20 DBGD COC(=O)[C@@H]1C[C@@H](O)CN1[C@@H](C)C(=O)NNC(=O)CC(C)C 732202524 VAKNUIZFOPQVDF-AXFHLTTASA-N 315.370 -0.823 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 738474650 DXVFIFBCPJQIBU-LLVKDONJSA-N 301.306 -0.267 50 20 DBGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)N1CCOCC1 740811657 RVKZUGXCLHYPBJ-JTQLQIEISA-N 307.372 -0.568 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2(O)CCC2)cc1 744839303 GHOCXPCPHFAEIW-UHFFFAOYSA-N 317.301 -0.223 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2C)c1O 753416007 IRCWLSIZZNBLOP-VIFPVBQESA-N 307.306 -0.217 50 20 DBGD C=C(C)[C@@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)OCC 755425556 MZRUKAJENOXVTL-GHMZBOCLSA-N 318.395 -0.060 50 20 DBGD CCO[C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)C 758030606 REULSLJREHPXAZ-VHSXEESVSA-N 323.415 -0.477 50 20 DBGD CC(=O)NCCNC(=O)NNc1ccccc1S(C)(=O)=O 766837949 AOIXZQAPFGMUNF-UHFFFAOYSA-N 314.367 -0.148 50 20 DBGD CNC(=O)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 779482467 SKQKJZITEFGVFU-DTWKUNHWSA-N 310.335 -0.349 50 20 DBGD Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)C(=O)N1CCCC1 779509116 KIIUYJVDOAOVTG-UHFFFAOYSA-N 321.293 -0.440 50 20 DBGD CN(C)C(=O)CC1CCN(CC(=O)NNC(=O)C2CC2)CC1 781345931 DQCPWKXNTLJOHR-UHFFFAOYSA-N 310.398 -0.266 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN[C@@H](CO)C1CCOCC1 782528033 GGISJZRLIWIQKG-NSHDSACASA-N 301.387 -0.443 50 20 DBGD CO[C@H](C(=O)NNC(=O)Cc1ccncc1)c1cnn(C)c1 798459665 IPACLBALOUKORE-ZDUSSCGKSA-N 303.322 -0.107 50 20 DBGD COCC[C@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 812888386 XHNXCKZRVQPYBN-NSHDSACASA-N 301.387 -0.083 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NN(C)[C@H](C)CO 823971734 YVQQMEIHWPJXPD-NEPJUHHUSA-N 321.443 -0.076 50 20 DBGD COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)CBr)C1 828382682 VXALYTSQZMEGHM-RNFRBKRXSA-N 316.173 -0.476 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCC(O)(CO)CC2)cc1 852499420 LNHGBKZFKMHSNT-UHFFFAOYSA-N 321.377 -0.425 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2cccc(F)c2)N1 858104867 ATDSTMDOKGAETI-LLVKDONJSA-N 308.313 -0.023 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860981653 XEZKOZKZVWFCFD-DTWKUNHWSA-N 324.341 -0.478 50 20 DBGD CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)CS(C)(=O)=O 863465755 FLULGVSHCVCFMC-NXEZZACHSA-N 308.400 -0.244 50 20 DBGD COCCOCC(=O)NNC(=S)NC[C@H]1CCCCO1 865244049 ABPFVRHFWRFGTN-SNVBAGLBSA-N 305.400 -0.286 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)F)C1CCOCC1 883068062 GQTYECGFSGENPT-SNVBAGLBSA-N 321.324 -0.474 50 20 DBGD NC(=O)N[C@@H](CO)C(=O)NNC(=O)c1ccccc1Cl 1116419530 ALHLQGZPXMMZJA-QMMMGPOBSA-N 300.702 -0.870 50 20 DBGD O=C(CN1CCN(C(=O)CCl)CC1)Nc1nncs1 1116437797 QGGNNVKUNQXNCY-UHFFFAOYSA-N 303.775 -0.140 50 20 DBGD CN(CCCn1ccnc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118810270 HMJLOEAEVVTPLY-JTQLQIEISA-N 308.342 -0.776 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCOC3(CCC3)C2)N1 1118810510 JIDXSWWWNBRNDC-UWVGGRQHSA-N 310.354 -0.303 50 20 DBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNC(=O)c1cn[nH]c1 1119083176 ASEKMDGPDJCAOW-WDEREUQCSA-N 308.342 -0.783 50 20 DBGD COc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)nn1C 1255225245 YNILHLZRQHCFHI-SECBINFHSA-N 316.383 -0.465 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1 1261762800 GVJQFNMZBYRVSU-LLVKDONJSA-N 306.326 -0.540 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 1318075493 FHTGKMKIVBBZKX-UHFFFAOYSA-N 321.380 -0.445 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cnn(C)c1C 1323050919 COJOIUOLWYPLJN-SNVBAGLBSA-N 313.358 -0.390 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(CO)c1 1324294933 KYJXGXHRMFJLFK-LLVKDONJSA-N 312.347 -0.625 50 20 DBGD Cn1cc(-c2ccc(NC(=O)NNC(=O)CCO)nn2)cn1 1326723942 BWUOHVLEBSSWKI-UHFFFAOYSA-N 305.298 -0.588 50 20 DBGD CN1CCC2(CCN(C(=O)NNC(=O)c3cn[nH]c3)CC2)C1=O 1328803298 COYKIGJHMZVZDZ-UHFFFAOYSA-N 320.353 -0.292 50 20 DBGD O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@H]1CCNC1 1330519161 JHGRVNOEHCWACL-QMMMGPOBSA-N 316.321 -0.359 50 20 DBGD CC(C)CC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1331867032 YSJDTYUVBFDICS-UHFFFAOYSA-N 318.182 -0.303 50 20 DBGD NC(=O)c1ccc(NNC(=O)C2(C(=O)NC3CC3)CC2)nn1 1332222553 FGEIIGQCAYERHA-UHFFFAOYSA-N 304.310 -0.923 50 20 DBGD CC(C)CN1CCC[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 1336014392 HFGGBQMDQSJVDN-JTQLQIEISA-N 305.400 -0.701 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1OCCc2ccccc21 1339819724 UZUAZOPPSFNAPM-LLVKDONJSA-N 307.306 -0.196 50 20 DBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCN1 1579089957 CNZJHZAUZOBRTE-BDAKNGLRSA-N 316.358 -0.965 50 20 DBGD NS(=O)(=O)c1cc(C=NNC(=O)NCC(=O)O)ccc1F 1601197104 ZNEVXCUBOSIFKN-UHFFFAOYSA-N 318.286 -0.809 50 20 DBGD O=C(O)CCc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1602045190 FKAAIVOCAVYACS-NSHDSACASA-N 319.317 -0.257 50 20 DBGD CC(C)NC(=S)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1603342720 UZGUSZFODLRGBY-UHFFFAOYSA-N 306.355 -0.221 50 20 DBGD COC[C@]1(C(=O)O)CCN(CC(=O)NNC(=O)C(C)C)C1 1604541918 MPEUFWBMGYCAHW-ZDUSSCGKSA-N 301.343 -0.787 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C(=O)O)nn2C)n1 1605158443 NZAHWQMCQURLGD-UHFFFAOYSA-N 320.309 -0.607 50 20 DBGD Cn1ccc(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1606250011 OKVPBEDAEKDEBA-UHFFFAOYSA-N 314.313 -0.179 50 20 DBGD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843362650 BRDRFYXTMTTWST-VIFPVBQESA-N 316.724 -0.589 50 20 DBGD O=C(CN1CCC(O)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 68757959 ZZCIOIHJSAVAKQ-UHFFFAOYSA-N 322.321 -0.188 50 20 DBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1ccccc1Cl 96982493 FVXAVRNTCOBCOR-UHFFFAOYSA-N 312.757 -0.221 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCNC(=O)C2(C)C)cc1 113931968 YGLDMAXDGMFIMZ-UHFFFAOYSA-N 318.377 -0.034 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)NC1CC1 143195285 IPUCTSRXWOVGCF-RJVLYZLMSA-N 318.333 -0.714 50 20 DBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)C(C)(C)C)C2=O)cn1 265396556 JJOXMSYNJHQOPA-SNVBAGLBSA-N 322.369 -0.098 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccccc1NS(C)(=O)=O 276337510 ZGGBGKPNRGETHL-UHFFFAOYSA-N 315.351 -0.410 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnnn2C)C[C@H](C)O1 282101214 WALIIUVNJFBROZ-UWVGGRQHSA-N 310.358 -0.925 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(COC)ccc1OC 285060371 JKKSIKARAHWFDV-UHFFFAOYSA-N 303.340 -0.036 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 298191668 GMJQIMHKLGVQJX-AWEZNQCLSA-N 304.306 -0.379 50 20 DBGD C[C@@H](CN1CCOC[C@@H]1C)NC(=O)c1cc(B(O)O)ccc1F 584942910 ZQRLKIWPTPTAED-QWRGUYRKSA-N 324.161 -0.656 50 20 DBGD Cc1nc(C)n(C2CN(C(=O)c3cc(B(O)O)ccc3F)C2)n1 584985079 GGTZGAAWHGDPLA-UHFFFAOYSA-N 318.117 -0.589 50 20 DBGD CN1CC[C@@H]2OCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@H]2C1 584995927 ZSGZNDLZCLCWMV-KBPBESRZSA-N 322.145 -0.949 50 20 DBGD COCc1nc2n(n1)C[C@H](NCc1ccccc1B(O)O)CC2 585028656 ODTOLDKALXWXQQ-GFCCVEGCSA-N 316.170 -0.791 50 20 DBGD O=C(NCCCc1ccccc1)C(=O)N1CC[C@H](B(O)O)C1 585065725 IURUIGKJXOVYAI-ZDUSSCGKSA-N 304.155 -0.189 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)Cn2nc(C)cc2C)CCC1 729966806 RUIWTDKDQJEVIS-UHFFFAOYSA-N 307.354 -0.436 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)c2cnn(C)c2)CCO1 735579623 IQARAKCYWMLHNR-SNVBAGLBSA-N 310.358 -0.915 50 20 DBGD COC(=O)c1ncn(CC(=O)NNC(=O)c2cccc(C)c2)n1 742451833 IDVMQSMKUGQVJL-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)N(C)C)C1 746014274 BGHHUPNCOBLDTH-VIFPVBQESA-N 306.388 -0.650 50 20 DBGD CCCCNC(=O)NNC(=O)CS(=O)(=O)N(CC)CC 746165109 LQUZFPMGUSTHAK-UHFFFAOYSA-N 308.404 -0.212 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCCCO1 748626308 QWHFFMJKRDFGNV-QWRGUYRKSA-N 303.359 -0.063 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2ccc[nH]2)n1 756648709 YEPCLDKYSFGURL-UHFFFAOYSA-N 306.282 -0.149 50 20 DBGD C[C@@H]1CCS(=O)(=O)CCN1CC(=O)NNC(=O)C(C)(C)C 763849797 GBOBSOOUTKDAJK-SNVBAGLBSA-N 319.427 -0.311 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN1CCCC1=O 771970663 ZNGRJPDBUGDHPV-SNVBAGLBSA-N 313.354 -0.266 50 20 DBGD CC[C@@H](CO)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 779723830 AXEOBXDNVHWXKB-VIFPVBQESA-N 304.310 -0.558 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)N=c1cc[nH]cc1 802025992 KZMCSQORAAXWHF-UHFFFAOYSA-N 312.351 -0.048 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCC1 813378009 LHQUFDZLULVRPZ-PELKAZGASA-N 304.368 -0.880 50 20 DBGD O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)[C@H]1COCCO1 823273323 JTCUHXUZZWXXBU-SECBINFHSA-N 308.323 -0.206 50 20 DBGD N#Cc1ccc(NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 830776480 LEMYNNCZQLJFPE-NSHDSACASA-N 323.378 -0.083 50 20 DBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842585548 CDYJUEOMEBREJN-BDAKNGLRSA-N 302.356 -0.239 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(C(N)=O)o1 853930783 UXICBLXJTBKJFS-WVXIBAHESA-N 323.305 -0.119 50 20 DBGD Cc1ccncc1CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 857116735 OAZNFEWMYRURAX-VIFPVBQESA-N 314.367 -0.982 50 20 DBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1cn[nH]c1 862474492 MJEOXAAJRSTQFY-LURJTMIESA-N 322.354 -0.327 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)CCc2ccccc2)N1 863414368 UFZUXUOURRSBBM-LLVKDONJSA-N 311.363 -0.542 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)N1CC[C@H](B(O)O)C1)C2 864231729 RBVBSAXTWPHZSV-BJDJZHNGSA-N 308.143 -0.295 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)C[C@@H](C)O1 891768556 YHDQTHHORPETHE-SPSJUYOASA-N 323.393 -0.142 50 20 DBGD C[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)C[C@@H]1Br 906470649 NNFGCONJQRQCFL-CPCISQLKSA-N 318.171 -0.070 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1cccn1CCN1CCOCC1 910145858 WZXORZCOOXUICG-CYBMUJFWSA-N 310.398 -0.222 50 20 DBGD O=C(NCCCN1CCCCC1)NNC(=O)C(=O)NC1CC1 916195628 BMXRPSDCORUGMQ-UHFFFAOYSA-N 311.386 -0.529 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]c(C(N)=O)c2)n1 917392323 ZTNCVTJTWROAIB-UHFFFAOYSA-N 304.310 -0.612 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CCCCS2(=O)=O)c1=O 1116679992 YXNZSAIDFSUBNW-QMMMGPOBSA-N 300.340 -0.809 50 20 DBGD CCOCCn1cc(C(=O)NNc2ccc(C(N)=O)nn2)cn1 1118825069 WJSHAHHZVZBTIY-UHFFFAOYSA-N 319.325 -0.435 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)[C@H]1CCC(=O)N1 1118861087 XLIQFKQDMSTBHO-PSASIEDQSA-N 319.365 -0.036 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](B(O)O)C2)c1 1118973508 ASGZAELNQDQVBI-SSDOTTSWSA-N 318.185 -0.655 50 20 DBGD CNC(=O)NC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1261791826 CLKSNSJGHANSAO-UHFFFAOYSA-N 309.330 -0.843 50 20 DBGD Cc1nc(CNC(=O)NNC(=O)C(=O)NC2CC2)sc1C 1318853044 XCGAGNABSJBOTQ-UHFFFAOYSA-N 311.367 -0.131 50 20 DBGD O=C(CCN1CCOCC1)NNC(=S)NCc1ccon1 1319373622 WNEMCNYHOAGZBC-UHFFFAOYSA-N 313.383 -0.608 50 20 DBGD O=C(CCN1CCOCC1)NNC(=S)NC[C@H]1CCOC1 1335127055 NLQHLEJNMXLELD-LLVKDONJSA-N 316.427 -0.760 50 20 DBGD O=C(NNC(=O)C1(n2cccn2)CCNCC1)C1CCOCC1 1580733624 ZFBRAMHWNLIDMQ-UHFFFAOYSA-N 321.381 -0.464 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1590001292 WJYFEGCTGLMVFB-MRVPVSSYSA-N 306.330 -0.983 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1593414646 SKTODFCPXKWQMW-VIFPVBQESA-N 302.298 -0.674 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)C1 1594018644 FQZNGPHSCFXZAB-IWSPIJDZSA-N 303.315 -0.769 50 20 DBGD COc1cc(C(=O)O)ccc1NC(=O)C(=O)NNC(=O)C1CC1 1610284874 ULPRGYOTBIOXRG-UHFFFAOYSA-N 321.289 -0.111 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)CN1CCCC1=O 8188881 NYFFFKXXRCDSKW-UHFFFAOYSA-N 309.297 -0.026 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)Cn1ccc2ccccc21 104628754 DAWFMGRMWBMXNO-VIFPVBQESA-N 303.322 -0.155 50 20 DBGD NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 270252771 VKGXKNCBZNIJDV-UHFFFAOYSA-N 319.770 -0.036 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NCCNC(=O)c1ccn[nH]1 272692882 WJQDQBPNCZCCSG-UHFFFAOYSA-N 312.330 -0.122 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)[C@@H]1OC 275075857 MBFYGVSWRVACLA-MXWKQRLJSA-N 311.342 -0.444 50 20 DBGD CN(NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C(N)=O 276240195 ZVRFTNXGKYYZOV-WDEREUQCSA-N 310.354 -0.531 50 20 DBGD COC(=O)NNC(=O)CNC(=O)c1ccc(OC)c(OC)c1 298306385 NZDUJSBYOINPDV-UHFFFAOYSA-N 311.294 -0.179 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)c1nnc2n1CCC2 584933591 FHFIIZGBLBZTEE-VIFPVBQESA-N 300.127 -0.605 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@](=O)C1 584982038 IAKGKFKEPBYINS-FPVGNUTFSA-N 313.159 -0.654 50 20 DBGD C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cccc(B(O)O)c1 584988715 SHMNOZFPKNISQL-SWLSCSKDSA-N 318.182 -0.698 50 20 DBGD O=C(NC1CC1)[C@@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585023119 GOMDLRPGVGMPLM-PWSUYJOCSA-N 306.171 -0.114 50 20 DBGD O=S(=O)(c1cccc2c1OCCO2)N1CC[C@@H](B(O)O)C1 585057516 GEBBGWFUHUOWON-SECBINFHSA-N 313.140 -0.305 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2c[nH]nc2C1 742698624 SGYSJUOXJISYPF-SECBINFHSA-N 321.381 -0.033 50 20 DBGD COC(=O)c1n[nH]c2ccc(NC(=O)NNC(=O)CO)cc12 756574977 STQXUGUAWAQTQO-UHFFFAOYSA-N 307.266 -0.506 50 20 DBGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 764204735 YHNKBKFUDAFWAJ-UHFFFAOYSA-N 306.322 -0.463 50 20 DBGD CC(C)(C)N(CCS(C)(=O)=O)CC(=O)NNC(=O)C1CC1 770216531 OLNXWCGWYXDUBQ-UHFFFAOYSA-N 319.427 -0.311 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 771601804 CZWCXGHRAQGWRY-SKDRFNHKSA-N 319.317 -0.405 50 20 DBGD CN(NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)C(N)=O 779543545 VXJWJYFPMDCANY-DTWKUNHWSA-N 310.335 -0.268 50 20 DBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 814546570 GHIMMOSFJYWNEJ-JTQLQIEISA-N 323.261 -0.554 50 20 DBGD COC(=O)COCC(=O)NNC(=O)NCCc1cccs1 823811033 ZURMJKCVCMYITF-UHFFFAOYSA-N 315.351 -0.189 50 20 DBGD CC(C)NC(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825681167 HNEZOGCHCFILOZ-NXEZZACHSA-N 300.359 -0.344 50 20 DBGD C[C@H]1CCNC(=O)[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1 839592444 JWRUHHVTAWHDSY-TVQRCGJNSA-N 322.340 -0.299 50 20 DBGD O=S(=O)(CBr)N1CCN(Cc2nc[nH]n2)CC1 846009948 BPMBQMSBCSRGJN-UHFFFAOYSA-N 324.204 -0.396 50 20 DBGD Cn1c(N)c(C=NNC(=O)OCC(F)(F)F)c(=O)n(C)c1=O 853430420 IFRCEFBZPWGGJW-UHFFFAOYSA-N 323.231 -0.711 50 20 DBGD CC(C)(C)N1C[C@H](NC(=O)NNC(=O)c2cn[nH]c2)CC1=O 858402727 IRGIZCBYXFOPEQ-SECBINFHSA-N 308.342 -0.247 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@]2(O)CCc3ccccc3C2)N1 862463084 XVXOPTNCAVTUAE-LRDDRELGSA-N 317.345 -0.668 50 20 DBGD CCOC(=O)[C@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 863870081 XWDSCIXNGYBTBX-GFCCVEGCSA-N 323.179 -0.513 50 20 DBGD COCCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 868121280 OZVSXLXPJRTHJC-UHFFFAOYSA-N 310.358 -0.869 50 20 DBGD CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)CCCCl 881977296 MMXADQGMKLMEMD-LLVKDONJSA-N 314.835 -0.430 50 20 DBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1118122644 BVEPJQBGSJNVNL-DDHJBXDOSA-N 315.370 -0.064 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1ccncc1)N1C(=O)CCC1=O 1319321446 RDPCAPIANGXFKB-SECBINFHSA-N 304.306 -0.691 50 20 DBGD O=C(NCCC(=O)N1CCCCC1)NNC(=O)c1cn[nH]c1 1331056013 AZBVWXNFGCDOIG-UHFFFAOYSA-N 308.342 -0.244 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cnn2ccccc12 1331834898 TVPGMGNBZMWZJI-UHFFFAOYSA-N 310.335 -0.931 50 20 DBGD COc1cc(C(=O)NNC(=O)C2CC2)sc1S(N)(=O)=O 1332053597 RKYDITFJDLGAPK-UHFFFAOYSA-N 319.364 -0.425 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CC1)C[C@@H](O)CCO2 1333319647 PONRCQINAMSEQT-NEPJUHHUSA-N 313.398 -0.062 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CC(=O)N2)cc1 1333779418 QFSJTVDWOQPCAB-JTQLQIEISA-N 304.306 -0.640 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccncc1 1338003957 FDFWGJOPVHTZPG-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD CCOC(=O)NNC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1342465141 JDQURNNKKWMKGA-UHFFFAOYSA-N 315.351 -0.086 50 20 DBGD COCCOCC(=O)NNC(=O)c1coc(/C=C\C(=O)O)c1 1594017755 BITXGWIFARZEOG-IHWYPQMZSA-N 312.278 -0.199 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 1599249507 XPPBRRMLTPBGJK-BBBLOLIVSA-N 317.342 -0.378 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 1601313356 NXDINJGHUYQCGT-ZJUUUORDSA-N 311.338 -0.353 50 20 DBGD O=C(c1ccncn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847560360 SBYNWJFQJXPSOD-SDDRHHMPSA-N 324.768 -0.108 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccsc1 273435841 LZWGRTKZNGDYRJ-LURJTMIESA-N 306.369 -0.162 50 20 DBGD CCCc1nnc(SCC(=O)NN(C)C(=O)OC)n1N 291756042 AOCDHIDEWSIDIK-UHFFFAOYSA-N 302.360 -0.234 50 20 DBGD CCO[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C12CCC2 363292779 OLECGGRGOXGIEN-QWRGUYRKSA-N 324.381 -0.057 50 20 DBGD CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 371100276 OZSLBJILDRZKQG-MXWKQRLJSA-N 324.381 -0.201 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(OCCO)CC1 584966978 OARWKZRCYXYMSR-UHFFFAOYSA-N 311.118 -0.881 50 20 DBGD CN1CCC[C@@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1 584993419 UXROPSCTXIUXPZ-MRXNPFEDSA-N 302.183 -0.076 50 20 DBGD CC1CCN(C[C@H](O)CNCc2ccc(B(O)O)cc2)CC1 585022317 WRUNIBNFDZZTKB-MRXNPFEDSA-N 306.215 -0.451 50 20 DBGD CN1CCN(CCNCc2ccc(B(O)O)cc2)CC1(C)C 585039307 QDNWBPXWAKPJQW-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD Cc1ccc(CNCc2ccc(B(O)O)o2)cc1S(C)(=O)=O 585039422 UXLRUEQLILNEEX-UHFFFAOYSA-N 323.179 -0.039 50 20 DBGD OB(O)c1ccc(CNCc2nc([C@H]3CCCO3)n[nH]2)cc1 585045601 JVGBPOORWIYKDK-GFCCVEGCSA-N 302.143 -0.374 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 740851072 OMMIAVALCRKKDU-UHFFFAOYSA-N 311.298 -0.011 50 20 DBGD CCN(CC)C[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 748462165 RZIRLPYBFNNUDM-NSHDSACASA-N 313.402 -0.331 50 20 DBGD Cc1cc(NC(=O)NNC(=O)CO)n(C2CCN(C)CC2)n1 756897324 YFGCJDYGJIQPSN-UHFFFAOYSA-N 310.358 -0.397 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NN=C1CCS(=O)CC1 761805269 YKQBRDRSEGQMOJ-ZOZMEPSFSA-N 301.412 -0.031 50 20 DBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)C(C)(C)O 768244313 MWRVLJIEXSKHET-LURJTMIESA-N 314.371 -0.593 50 20 DBGD CC(C)(O)C(=O)NN=C(CNS(C)(=O)=O)c1ccccc1 785463581 RTXAJTMIACZGRX-UHFFFAOYSA-N 313.379 -0.173 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1ncnn1CC(F)F 786207613 MLOZFNAQZONFHE-MRVPVSSYSA-N 318.328 -0.079 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@](C)(C(N)=O)C2)cc1 796579640 FPIDMQVLENVGEL-INIZCTEOSA-N 318.377 -0.047 50 20 DBGD CCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)cc(O)n1 807378408 BJOZWNDNFQULTB-UHFFFAOYSA-N 307.354 -0.049 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1ccccn1)CC2 809937689 YSIKBGVBRZZREL-VIFPVBQESA-N 300.322 -0.224 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)NC1CCCCC1 813363977 AWBVSCVOMWGPCA-NSHDSACASA-N 314.386 -0.217 50 20 DBGD COc1cc(C)nc(NNC(=O)NCCN2CCNCC2)n1 841921634 VSUWMWZUCXCMQI-UHFFFAOYSA-N 309.374 -0.675 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ncc1C(N)=O 843656204 AFWQUAXWQKIXAW-DTWKUNHWSA-N 306.322 -0.325 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 843979627 PMXWQMDABNECDA-ATZCPNFKSA-N 321.337 -0.665 50 20 DBGD CC(C)c1nc(C#N)c(NNC(=O)C2(S(N)(=O)=O)CC2)o1 845335690 HRENZJXMCMHIRG-UHFFFAOYSA-N 313.339 -0.066 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1 845855667 JYKFFCBLGHQIAX-UHFFFAOYSA-N 300.296 -0.141 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1nnc2c1CCCC2 848236972 OWKVEYGOYJNCRI-NXEZZACHSA-N 307.354 -0.271 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC([C@H]3CCOC3)CC2)N1 858699633 VJNBTIFBELNDEI-NWDGAFQWSA-N 324.381 -0.246 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1 858988717 QFPSYYFJVZAXKY-MRVPVSSYSA-N 310.314 -0.753 50 20 DBGD C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 863463719 ROELQXKVYRLFEA-ZDUSSCGKSA-N 314.363 -0.828 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)oc1C 864231814 SSHROMLEUZNSNK-QMMMGPOBSA-N 317.128 -0.388 50 20 DBGD CCN1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1=O 925984770 WMVQQXDOLDBOTN-MXWKQRLJSA-N 312.370 -0.247 50 20 DBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1n[nH]c2c1CCCC2 1116206200 XXCFRAJUDOZLAU-VIFPVBQESA-N 308.338 -0.145 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C(=O)NC2CC2)nc1C 1116493978 QKWVZJDTYSISOH-UHFFFAOYSA-N 307.310 -0.317 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 1251918581 DRVHSHVABDUDIE-NEPJUHHUSA-N 322.369 -0.773 50 20 DBGD Cc1ncccc1CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 1259178100 CVUMSGCUSHRMKN-VIFPVBQESA-N 314.367 -0.982 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNc1nc2ccccn2n1 1263795915 HWMIJWXZCBXDSG-QWRGUYRKSA-N 301.354 -0.439 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NNc1ccccn1 1322290048 LZNFSJYUYVBMHN-UHFFFAOYSA-N 318.293 -0.238 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)C(=O)NCCF 1327047343 ULSQYBJAZPRXRQ-SECBINFHSA-N 311.317 -0.571 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCN1CCCc2ccccc21 1330489347 NLQQVCVLUZHWFE-UHFFFAOYSA-N 320.349 -0.057 50 20 DBGD O=C(CNC(=O)NNC(=O)c1cn[nH]c1)NCC(F)(F)F 1331278024 YTWKUEGPKRWCSW-UHFFFAOYSA-N 308.220 -0.968 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccn2c(O)nnc12 1349468400 CAUYMASZMKNGMO-JGVFFNPUSA-N 305.294 -0.379 50 20 DBGD CN(NC(=O)[C@@H]1Cc2cccnc2C1)C(=O)N1CCNCC1 1578506704 URPIJWGRYZCXLT-GFCCVEGCSA-N 303.366 -0.215 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@]1(C)CNCCO1 1579310031 WPPFTEHPYSMLTP-OAHLLOKOSA-N 323.349 -0.400 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)CC(=O)O 1589992191 QMYQDVJJYAVWOH-SSDOTTSWSA-N 301.299 -0.382 50 20 DBGD CCOCCOCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1590814158 QRBOSRXPCOZBTB-UHFFFAOYSA-N 307.314 -0.242 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)n1 1594298190 GDOZWGDCMNRUKX-MGCOHNPYSA-N 309.326 -0.306 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)O)c1 1594712364 IRMVHXNIAYWKCT-UHFFFAOYSA-N 309.278 -0.354 50 20 DBGD C=C[C@](C)(O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1602794985 XNIILNVMMSENRC-AWEZNQCLSA-N 316.321 -0.045 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1cccc(C(=O)O)c1=O 1607939892 ZLXCYBDGFDDCQT-UHFFFAOYSA-N 319.277 -0.961 50 20 DBGD Cc1ccc(NNC(=O)C(=O)Nc2cc(C(=O)O)n(C)c2)nn1 1610509928 SYHOTLUAHWPBFF-UHFFFAOYSA-N 318.293 -0.096 50 20 DBGD O=C1NC[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](F)Cl)C3)O1 1841648767 PXONZSVUFKKTGQ-YUMQZZPRSA-N 319.720 -0.167 50 20 DBGD CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)cc1 36618304 KZUOBMRPYUGDAZ-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccccc1 48950129 JJBYELGJDGGWGK-UHFFFAOYSA-N 300.340 -0.733 50 20 DBGD C[C@@](NCC(=O)NNC(=O)C1CC1)(C(N)=O)c1ccccc1 112979023 KVHUSXRIMRPDBT-HNNXBMFYSA-N 304.350 -0.466 50 20 DBGD NC(=O)[C@H]1CCCN1CCCNC(=O)NNc1cccnn1 265497135 YDPVIXAYBCFJLD-SNVBAGLBSA-N 307.358 -0.558 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1=O 491013384 UGWQATVHKJRFJV-GULOHRGCSA-N 301.306 -0.409 50 20 DBGD CCOC(=O)N1CCC(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 495174249 NUEALOJIIQIZER-UHFFFAOYSA-N 323.353 -0.032 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(C(=O)OCC)C1 495553389 FOJMPKHAJPFHBS-SECBINFHSA-N 302.331 -0.416 50 20 DBGD CN(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584998244 CVSYRGCGVVWVIF-ZDUSSCGKSA-N 319.170 -0.758 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2COCCO2)C[C@@H](C)O1 732259534 GQRPMXYOKFZHDL-IJLUTSLNSA-N 315.370 -0.952 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN([C@@H]2CCC[C@@H]2O)CC1 734487612 XIAIDZRGNFOJHF-XQQFMLRXSA-N 312.414 -0.537 50 20 DBGD NC(=O)COc1cccc(C(=O)NNC(=O)N2CCOCC2)c1 745988116 QIUUOSRJQFFFCD-UHFFFAOYSA-N 322.321 -0.763 50 20 DBGD CNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)NNC(=O)CC(C)C 747968331 XCLBQLMMCKFULY-QWRGUYRKSA-N 300.403 -0.118 50 20 DBGD COc1ccc(Cn2cc(C(=O)NNC(=O)CO)cn2)cc1 753445104 FTNJKEQFDFEDRY-UHFFFAOYSA-N 304.306 -0.307 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)C(F)(F)F 758034089 DMFVAQLJCNRRRL-RFZPGFLSSA-N 305.278 -0.730 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)c1cnn(C)c1 759796935 KJJFSDPCWLQFCJ-UHFFFAOYSA-N 305.294 -0.943 50 20 DBGD O=C1CC(C(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)=NN1 768262103 FKMVVGMTWRKMOR-UHFFFAOYSA-N 318.318 -0.225 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(NC(C)=O)CCCC1 772105171 LAEIVRWKFOKOBA-SECBINFHSA-N 313.354 -0.076 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(NC(C)=O)CCCC1 772105175 LAEIVRWKFOKOBA-VIFPVBQESA-N 313.354 -0.076 50 20 DBGD CC(C)c1nccnc1NNC(=O)CN1C(=O)CN(C)C1=O 772813410 AKYFSZVPYFZWKG-UHFFFAOYSA-N 306.326 -0.063 50 20 DBGD CN(C)N(C(=O)CNCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 792848954 HXNQHSPAFYLETO-QMMMGPOBSA-N 317.333 -0.369 50 20 DBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNC(=O)N=c1cc[nH]cc1 802024413 OSKOHVQXYYAYJA-UHFFFAOYSA-N 305.254 -0.539 50 20 DBGD O=C(O)CCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 819492316 ATYYMCQMMYXQAO-UHFFFAOYSA-N 312.238 -0.281 50 20 DBGD CCC(CC)NC(=O)C(=O)NN=C(C)c1cn(CC(=O)O)nn1 828862097 IPMHMDBKCZGJDJ-UHFFFAOYSA-N 324.341 -0.492 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NC2CN(C(=O)O)C2)c1 831146814 ZNQYKXURILRJPW-UHFFFAOYSA-N 303.278 -0.136 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843793205 WLZNTRPFOKIGHU-NSHDSACASA-N 305.338 -0.499 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1ccccc1OC 844655195 YUIZYSLOULLATP-UHFFFAOYSA-N 317.367 -0.247 50 20 DBGD Cc1nn(CC(=O)NNC(=O)CCc2ccccc2)c(=O)n1C 846847508 MTGRADIHBZONMQ-UHFFFAOYSA-N 317.349 -0.330 50 20 DBGD CCOC(=O)[C@@H](N)C(=O)NNc1nc(-c2ccncc2)no1 852864947 NFXRIZDKWHMCIM-QMMMGPOBSA-N 306.282 -0.535 50 20 DBGD CCc1noc2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc12 862453815 ZIOSFIFWKNABSC-SNVBAGLBSA-N 317.305 -0.175 50 20 DBGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cn[nH]c2)CC1 862474847 QTWDWNGLIBDOEC-UHFFFAOYSA-N 308.342 -0.436 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1n[nH]c(O)n1 918285456 IOTFNFBWSJORDJ-LURJTMIESA-N 309.257 -0.122 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccccc1F 919683827 BQZLZWUWGHODQX-UHFFFAOYSA-N 304.299 -0.604 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1ccncc1 1123731263 CGNXDSNPDQDGGK-WCQYABFASA-N 303.366 -0.840 50 20 DBGD COc1cc(C)nc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 1252430393 RKGRRRMTNJFICL-ZETCQYMHSA-N 308.298 -0.775 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=S)NCc1ccon1 1253071931 SDQLOAFHTQDYIU-MRVPVSSYSA-N 302.356 -0.279 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNC(=O)[C@H]1COc2ccccc2O1 1318972807 DJJKFAMIVKXTLF-ZWNOBZJWSA-N 322.317 -0.221 50 20 DBGD O=C(NNC(=O)c1ccc[nH]1)N[C@H]1CCCS(=O)(=O)C1 1325375454 KLSGNGKKYLVRDA-QMMMGPOBSA-N 300.340 -0.464 50 20 DBGD O=C(NNC(=O)C1CCC1)C(=O)Nc1cccc2c1CNC2=O 1326785019 CSZOKCSJAAMCOI-UHFFFAOYSA-N 316.317 -0.184 50 20 DBGD COC(=O)[C@H](C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 1329918738 CQOJLCDIVXQPOW-JTQLQIEISA-N 318.333 -0.187 50 20 DBGD COc1cccnc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331316358 VPADGCIOBGDEPF-MRVPVSSYSA-N 307.310 -0.801 50 20 DBGD Cn1ncc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1Cl 1347626701 GOTJWUGIMIONQY-SSDOTTSWSA-N 304.759 -0.042 50 20 DBGD Cc1noc(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1349151794 CBWXPUAZJPERSM-VXNVDRBHSA-N 310.310 -0.198 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CNCCN2C)cc1F 1578871344 VVRSWCGARHWCMH-LBPRGKRZSA-N 310.329 -0.041 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(O)COC2)o1 1589774294 XHLHFDBNFOUOBD-UHFFFAOYSA-N 309.286 -0.818 50 20 DBGD COc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1cnnn1C 1591482747 TUYDKIIQHIXINS-UHFFFAOYSA-N 315.297 -0.239 50 20 DBGD O=C(O)COCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 1595107218 NTVIPZPFZOLUIO-UHFFFAOYSA-N 311.250 -0.331 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 1596463386 XWJCFGUUOMCKHG-UHFFFAOYSA-N 311.298 -0.646 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cc(C(=O)O)cn2)n1 1600512024 QRWFYEBOEDPYMX-UHFFFAOYSA-N 303.278 -0.254 50 20 DBGD O=C(NCCCc1ccc2c(c1)OCCO2)NNC(=O)C(=O)O 1601500941 ZWRGOURVYWJFID-UHFFFAOYSA-N 323.305 -0.195 50 20 DBGD O=C(NN=Cc1csc(-c2nn[nH]n2)c1)C(=O)NC1CC1 1606849145 CIEDFPBBJXOBJI-UHFFFAOYSA-N 305.323 -0.343 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cc(-c2nn[nH]n2)ccn1 1606851943 SRMCKBXHNYFOKC-SNVBAGLBSA-N 317.309 -0.408 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)Nc1ccc(C(=O)O)nn1 1608368225 JRRJMOKVKMXZBX-UHFFFAOYSA-N 316.277 -0.035 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(=O)O)co1 1776042119 MMWWMFTUNXFUIG-ZCFIWIBFSA-N 303.296 -0.634 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841300977 LVMBGNRZPUQZPU-VQXHTEKXSA-N 316.785 -0.440 50 20 DBGD O=S(=O)(CBr)NC[C@@H]1CCCS1(=O)=O 127555360 FZXBBMURRINQMB-LURJTMIESA-N 306.203 -0.165 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 144532329 SBYGUEHMWUESQW-UHFFFAOYSA-N 309.326 -0.204 50 20 DBGD CCOC(=O)NCCCC(=O)NNC(=O)N1CCOCC1 269747893 ORQWSSYHSSTHIG-UHFFFAOYSA-N 302.331 -0.414 50 20 DBGD NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 270189548 BWFYZWZQGNLMAA-JTQLQIEISA-N 314.323 -0.262 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(F)ccc1C 272401051 FFILLEQRQAGSKV-UHFFFAOYSA-N 319.314 -0.200 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccsc1 273435844 LZWGRTKZNGDYRJ-ZCFIWIBFSA-N 306.369 -0.162 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)C(C)(OCC)OCC 278660265 PKEBVLJZHULOKB-UHFFFAOYSA-N 305.331 -0.331 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1 280188392 HUGFIZPTWAEHHF-RYUDHWBXSA-N 316.317 -0.038 50 20 DBGD Cn1cc(C(=O)Nc2cccc(B(O)O)c2)c([C@H]2CCOC2)n1 584911981 BMGLIMMRUQKADL-JTQLQIEISA-N 315.138 -0.144 50 20 DBGD CC(C)(C)n1nnc(CNC(=O)c2ccc(B(O)O)c(F)c2)n1 585004474 FWAKQJZEIPQJNU-UHFFFAOYSA-N 321.121 -0.823 50 20 DBGD C[C@@H](CN1CCOC[C@@H]1C)NCc1ccc(B(O)O)cc1F 585020927 CHMWNDXJKJUYRO-RYUDHWBXSA-N 310.178 -0.296 50 20 DBGD CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(B(O)O)o3)[C@H]2C1 585040109 ABECILOAWGLXGI-FPMFFAJLSA-N 306.171 -0.304 50 20 DBGD CC(C)NS(=O)(=O)c1ccc(C(=O)NCB(O)O)cc1 585058054 RWNNSZRKRWFWTA-UHFFFAOYSA-N 300.145 -0.885 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)COc1ccccc1O 730781268 JKSJWZSEJRUMGP-UHFFFAOYSA-N 309.322 -0.167 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)O 736868901 NZNDMNHBOHKDGS-YFKPBYRVSA-N 304.328 -0.228 50 20 DBGD Cn1c(N)c(C=NNC(=O)NCc2ccco2)c(=O)n(C)c1=O 749814992 ITYGKPINAODOKP-UHFFFAOYSA-N 320.309 -0.908 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 761862257 RYHGFPKKCIJTLY-UHFFFAOYSA-N 302.312 -0.867 50 20 DBGD Cn1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 768256611 YFDRSGZMTAMNFG-UHFFFAOYSA-N 319.277 -0.251 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 771858272 KMJNMWKFJBGBSI-CABZTGNLSA-N 319.317 -0.548 50 20 DBGD CC[C@H](CO)NC(=O)NNC(=O)CNC(=O)c1cccs1 775735561 SGZOOCVXWXBVAX-MRVPVSSYSA-N 314.367 -0.421 50 20 DBGD CCCN(CC(=O)NC)CC(=O)NNC(=O)c1cccs1 777559392 CRARHRGHJGSYPX-UHFFFAOYSA-N 312.395 -0.033 50 20 DBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(C)=O)n(C)c1 789833373 HWZLRWFOMNDYCC-UHFFFAOYSA-N 316.383 -0.164 50 20 DBGD C[C@@H]1COCCC1=NNC(=O)CSc1nnc(O)nc1O 794488746 SEDSIHYRISNQIE-ZCFIWIBFSA-N 313.339 -0.097 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCCN1C(C)=O 795587629 JQLMJECMYMDEAQ-NSHDSACASA-N 300.359 -0.246 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)n1 799388604 VZCGWMSJDIBJEC-KWQFWETISA-N 305.338 -0.141 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cc(C(=O)OC)c(C)n1C 800815668 JSGNBSLTAWUZQU-UHFFFAOYSA-N 310.310 -0.074 50 20 DBGD CSCCNC(=S)NNC(=O)C(C)(C)N1CCOCC1 801181086 AOXLVZLITGZVTM-UHFFFAOYSA-N 320.484 -0.045 50 20 DBGD CCC[C@@H](C(=O)NNc1nc(C)cc(C)n1)S(N)(=O)=O 816837170 LVWIFZLXGUOPLG-VIFPVBQESA-N 301.372 -0.006 50 20 DBGD O=C(NNS(=O)(=O)CCOCC1CC1)N1CCOCC1 818049882 XDZFBAPLNIDMSJ-UHFFFAOYSA-N 307.372 -0.711 50 20 DBGD CCN(CCO)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 823846157 CNGXKOWRGCYBLM-GFCCVEGCSA-N 306.366 -0.225 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CNS(=O)(=O)c1ccccc1F 823988478 TVKSLXRNPRXGDF-VIFPVBQESA-N 319.358 -0.552 50 20 DBGD NC(=O)NCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 826392164 PGOAYSDATMDGKM-UHFFFAOYSA-N 311.693 -0.974 50 20 DBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)CNC(=O)c1cccs1 827303443 FKFFECSJUJLVSI-ZETCQYMHSA-N 313.335 -0.264 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)S(N)(=O)=O 847114935 DUOQOWKORYHNOO-YFKPBYRVSA-N 320.293 -0.664 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 847290223 WDWWNHIOVFXFBT-GHMZBOCLSA-N 309.297 -0.137 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cc[nH]n1 855359403 QJXICUIYVKWEMW-SNVBAGLBSA-N 305.338 -0.181 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3c(cc2O)OCO3)N1 862457890 SVNCCLKUBKOSAA-SSDOTTSWSA-N 307.262 -0.840 50 20 DBGD Cc1csc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)c1 862479059 AKCURCDMCYVBRI-VIFPVBQESA-N 313.379 -0.049 50 20 DBGD COC(=O)C1(CS(=O)(=O)N2CC[C@H](B(O)O)C2)CCCC1 864233036 UOIHMIKIHLJEIX-JTQLQIEISA-N 319.188 -0.402 50 20 DBGD O=C(COc1ccc(F)cc1F)NNC(=O)C(=O)NC1CC1 914461245 WRLLSYUWJZLYNT-UHFFFAOYSA-N 313.260 -0.230 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)CC1=O 914719033 OECBCUZAVGGFHG-QMMMGPOBSA-N 310.354 -0.941 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O 935564130 WCURARFHCWLLFR-LBPRGKRZSA-N 319.361 -0.047 50 20 DBGD COc1cc(C=NNC(=O)CO)cc(OC)c1OCC(N)=O 1254223855 VYKHROZLVLZVJP-UHFFFAOYSA-N 311.294 -0.990 50 20 DBGD CC(C)S(=O)(=O)CC(=O)NNc1nncc(N)c1Cl 1319406281 QUKUDIPKADWWCN-UHFFFAOYSA-N 307.763 -0.022 50 20 DBGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1 1320232894 TWLLASHFHDKVPH-UHFFFAOYSA-N 304.306 -0.329 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCN1c2ccccc2C[C@H]1C 1330490501 SUAIFVPMGQYVAT-SNVBAGLBSA-N 320.349 -0.059 50 20 DBGD Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 1339772186 QPRWFBIZLRDRGS-VIFPVBQESA-N 321.381 -0.025 50 20 DBGD CC[C@H](N)CNC(=O)NNC(=O)Cc1cn2ccccc2n1 1577122408 ORPKNGIODAPRLX-JTQLQIEISA-N 304.354 -0.056 50 20 DBGD C/C=C/[C@@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590353097 NXENWEMXYIEUDP-VMZHVLLKSA-N 302.294 -0.435 50 20 DBGD O=C(NNC(=O)c1cscc1-c1nn[nH]n1)c1ncon1 1593159755 ZLVXXQVURGOMAI-UHFFFAOYSA-N 306.267 -0.614 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 1599747282 NJJCOTHMAKTPEO-JGVFFNPUSA-N 306.340 -0.931 50 20 DBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)oc1C(=O)O 1600095925 ZSLIPOVFTUONBS-UHFFFAOYSA-N 310.310 -0.112 50 20 DBGD Cc1cccc2nc(CCNC(=O)NNC(=O)C(=O)O)cn12 1600560491 SXHOCZKCJBBATE-UHFFFAOYSA-N 305.294 -0.400 50 20 DBGD O=C1CN(CC(=O)NNc2ccc(C(=O)O)cc2F)CCN1 1602649751 ZEXLMZNQMOEIOY-UHFFFAOYSA-N 310.285 -0.601 50 20 DBGD O=C(O)CNC(=O)NN=Cc1cn(Cc2cccnc2)nn1 1608754609 SCEWQKORNHETJR-UHFFFAOYSA-N 303.282 -0.561 50 20 DBGD NC(=O)Cn1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)nn1 1776101043 NXZUABPUMIHPBI-UHFFFAOYSA-N 316.277 -0.775 50 20 DBGD CCCNC(=O)CNC(=O)NNC(=O)COc1ccccc1O 264549928 CMFNTQZOLRXROD-UHFFFAOYSA-N 324.337 -0.372 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)CN2CCCS2(=O)=O)n1 273551920 VEICNSUYRXYEIW-UHFFFAOYSA-N 320.762 -0.809 50 20 DBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)O1 279583789 GYMXEFKETVLNDM-NXEZZACHSA-N 322.277 -0.611 50 20 DBGD Nc1ncc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H]1CCCO1 292093592 NZYNBBQEVBGDDT-ZETCQYMHSA-N 320.758 -0.194 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ncc(F)cc1F 297116796 OSGCJDKWXFJLMR-UHFFFAOYSA-N 323.325 -0.075 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 377409143 AOQZENCXXIRVPB-JTQLQIEISA-N 324.381 -0.551 50 20 DBGD COC(=O)NCCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 490904730 LMQWULNBIXAGBR-JTQLQIEISA-N 321.399 -0.385 50 20 DBGD CCNC(=O)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584940673 XTQNFDYXIFRRSQ-UHFFFAOYSA-N 322.145 -0.506 50 20 DBGD CC(C)CN1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C1=O 584974382 NZEQFCAGHOWECO-GFCCVEGCSA-N 318.182 -0.305 50 20 DBGD CC[C@@H]1CN(CCNC(=O)c2cccc(B(O)O)c2)CCO1 584982935 RSHSQRQVJZPXPS-CQSZACIVSA-N 306.171 -0.793 50 20 DBGD O=C1CC2(CCCCC2)N(C(=O)c2cccc(B(O)O)c2)N1 584989895 XKMNYLHCJSSCOL-UHFFFAOYSA-N 302.139 -0.054 50 20 DBGD COCC[C@@](C)(O)C(C)(C)CNC(=O)c1ccc(B(O)O)cc1 585007500 NSGUWRMWJXAAJY-MRXNPFEDSA-N 323.198 -0.090 50 20 DBGD COCCN1CCC(CNCc2cccc(B(O)O)c2)CC1 585019966 LKEYANPARBDMGU-UHFFFAOYSA-N 306.215 -0.186 50 20 DBGD CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCB(O)O 585054013 GCLBYUBYMGNHEV-LLVKDONJSA-N 314.097 -0.153 50 20 DBGD NC(=O)[C@@H]1CC[C@H](c2nc(-c3cccc(B(O)O)c3)no2)O1 585055182 ZFGIAMPMFKAYBJ-VHSXEESVSA-N 303.083 -0.878 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 725909713 LMSIVHLPCDIYCR-VIFPVBQESA-N 301.306 -0.318 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N1C(=O)CCC1=O 727735594 CRHLNZRQHAXBBY-VIFPVBQESA-N 314.301 -0.143 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CN(C)C(=O)O)C[C@H](C)O1 736813180 ZRMBBGLTCDCBBU-UWVGGRQHSA-N 316.358 -0.757 50 20 DBGD CN(C)C(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744387745 WZXSODPLCULWLA-UHFFFAOYSA-N 313.402 -0.521 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)Cn2ccc(O)nc2=O)n1 748334071 HHJRPYRYFCTFOD-UHFFFAOYSA-N 310.701 -0.156 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc21 758040466 QNWDKNNDZQQEHR-LDYMZIIASA-N 311.363 -0.589 50 20 DBGD COC[C@H](O)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 766134239 CAWWJQKJCSIORU-NSHDSACASA-N 310.306 -0.693 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)N1CCCC1=O 772163720 DBDCQYKATVBOBG-VHSXEESVSA-N 313.354 -0.124 50 20 DBGD CCNC(=O)N(C)NC(=O)CNS(=O)(=O)c1cccs1 781065521 VCYKSQSZVDNVSA-UHFFFAOYSA-N 320.396 -0.281 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 781934054 VFCNUXCKWBSVEH-UHFFFAOYSA-N 310.314 -0.465 50 20 DBGD C[C@H]1CN(C[C@@H](C)O)CCN1CC(=O)NNC(=O)C(C)(C)C 800374190 KPYDKJQVRGVCPY-NWDGAFQWSA-N 314.430 -0.433 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccccn1 822645521 BGCVSAVEKPVUHP-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)CO1 828428129 TXEMVNXTRFBEJJ-BQBZGAKWSA-N 307.314 -0.128 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 842558418 XOZZOFMIUGMEQN-NXEZZACHSA-N 309.326 -0.284 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(O)n(C)n1 854286652 WAGDDMGNDKKGMZ-UHFFFAOYSA-N 301.372 -0.387 50 20 DBGD CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1(C)C 858347948 JOQNPWCXQUIQGB-YJFSRANCSA-N 312.370 -0.345 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCOC3(CCCC3)C2)N1 858694702 BMBWIUVZIACWIO-JTQLQIEISA-N 310.354 -0.349 50 20 DBGD O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)[C@@H]1CCC(=O)N1 862448419 DKZHZZZOGSGPEV-ODTOEKCJSA-N 317.301 -0.146 50 20 DBGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452344 DRHNYMXXAFPTTH-DCAQKATOSA-N 313.354 -0.613 50 20 DBGD O=C(C[C@H]1CSCCS1)NNC(=O)[C@H]1CCC(=O)N1 862457831 RTMXEDSFTPHGPM-JGVFFNPUSA-N 303.409 -0.349 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H](O)c2ccc(Cl)cc2)N1 862460851 HMMZKFMFDMCROV-ONGXEEELSA-N 311.725 -0.201 50 20 DBGD COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cccc(B(O)O)c1 863875945 IVAPRSQKNMBDDX-CYBMUJFWSA-N 323.154 -0.595 50 20 DBGD COC(=O)CNC(=O)CNC(=O)[C@@]1(C)C[C@@H]1Br 907882166 ROJBVUGYOBAESW-WKEGUHRASA-N 307.144 -0.435 50 20 DBGD O=C(CNC(=O)c1ccncc1)NNC(=O)CC(F)(F)F 918366125 KKBPTXDVZNKWAB-UHFFFAOYSA-N 304.228 -0.089 50 20 DBGD COC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1OC 1317736792 ZHHIXCYMMJLZMI-UHFFFAOYSA-N 303.296 -0.657 50 20 DBGD COc1cc(C)nc(NNC(=O)c2cnn(C[C@H](O)CO)c2)n1 1328166578 UGODHQSBNFCDMU-JTQLQIEISA-N 322.325 -0.900 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)NC2CC2)C[C@@H](C)O1 1576800013 FMDDQHHCWRNRRA-TUAOUCFPSA-N 312.414 -0.226 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)C2CCNCC2)CC1 1578822409 CUBDTMWFDQLNOQ-UHFFFAOYSA-N 312.370 -0.388 50 20 DBGD CO[C@@H](CN)C(=O)NNC(=O)CN1CCCc2ccccc21 1579111239 VQLDPBOAABYLOE-ZDUSSCGKSA-N 306.366 -0.440 50 20 DBGD Cn1ccnc(NNC(=O)c2sccc2-c2nn[nH]n2)c1=O 1592582602 XFDGKCUPIKFHTJ-UHFFFAOYSA-N 318.322 -0.221 50 20 DBGD CN(C)N(C(=O)[C@H]1C[C@@H](C(=O)O)C1)[C@@H]1CCS(=O)(=O)C1 1598257977 WCPZYLPIUJADEF-KXUCPTDWSA-N 304.368 -0.411 50 20 DBGD O=C(NCCn1cc(C(=O)O)nn1)NNc1ncccc1F 1601516937 QSHRQSSVMLMKNX-UHFFFAOYSA-N 309.261 -0.163 50 20 DBGD O=C(COc1cccc(-c2nn[nH]n2)c1)NNC(=O)NC1CC1 1606573114 HCHLQZUCSQCENQ-UHFFFAOYSA-N 317.309 -0.262 50 20 DBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc(F)c(-c2nn[nH]n2)c1 1606851787 OAOWEDGDGBEBEF-UHFFFAOYSA-N 317.244 -0.801 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CN(C)S(C)(=O)=O)n1 267092890 MAABOGROGWJNIH-UHFFFAOYSA-N 307.763 -0.227 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CCC(=O)N2CCOCC2)o1 267787478 UJXZXJDRSFLYJI-UHFFFAOYSA-N 309.322 -0.012 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 273205060 JCULHKRRQJXJGP-BQBZGAKWSA-N 317.346 -0.896 50 20 DBGD C#CCNS(=O)(=O)c1ccc(C(=O)NN(C)C(N)=O)cc1 490914146 GGSOLRVTRGDFMF-UHFFFAOYSA-N 310.335 -0.747 50 20 DBGD Cc1nc(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)n[nH]1 584939188 GZESTPYLLMCWRH-UHFFFAOYSA-N 314.154 -0.187 50 20 DBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)C1(C(N)=O)CCCC1 584966956 NHPCKOMCCQWUBS-UHFFFAOYSA-N 308.118 -0.624 50 20 DBGD Cc1nc([C@@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)C2)n[nH]1 585002047 LBNJMOXNNMPARG-SECBINFHSA-N 318.117 -0.438 50 20 DBGD COC1(CO)CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 585004581 HIBSTDCYYWJUTK-UHFFFAOYSA-N 311.118 -0.881 50 20 DBGD OB(O)c1ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c(F)c1 585035194 QRCQXZZYKPQDEQ-HIFRSBDPSA-N 309.146 -0.067 50 20 DBGD Cn1nnc2c1CC[C@@H](NCc1ccc(B(O)O)cc1F)C2 585045080 AZAVVINIOQIJLO-LLVKDONJSA-N 304.134 -0.719 50 20 DBGD CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)CCCCl)C1 690669317 VJUYVGJOLSCGEL-VIFPVBQESA-N 318.848 -0.184 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(Cc2cnn(C)c2)CC1 732201684 KLIKCKANPJRGNT-GFCCVEGCSA-N 322.413 -0.516 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCOC2)c1 744873569 OMHJGIZFKOTKTA-GFCCVEGCSA-N 317.301 -0.101 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 751201785 LEYHERSEYAOSGF-SECBINFHSA-N 322.321 -0.975 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C(C)C)c(C)o1 751297315 FQKOWHVGMAZWTF-UHFFFAOYSA-N 303.340 -0.087 50 20 DBGD Cc1ccc(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)cc1F 753438872 HDCUSSQUEPDBFN-SECBINFHSA-N 309.297 -0.373 50 20 DBGD CC(C)C(=O)NNC(=O)c1cc(N2CCNC(=O)C2)ccn1 786687417 LHVATDMOSQPVFU-UHFFFAOYSA-N 305.338 -0.565 50 20 DBGD CC(C)(C)Cc1csc(NC(=O)C(=O)NNC(=O)CO)n1 789740319 USNCLFCNQNVPRN-UHFFFAOYSA-N 314.367 -0.190 50 20 DBGD NC(=O)Nc1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1 789856812 KMAJKRIQFQYRHW-UHFFFAOYSA-N 319.321 -0.439 50 20 DBGD CN(C)N(C(=O)CCn1cccn1)[C@@H]1CCS(=O)(=O)C1 792855023 MPXJZBSQASACNJ-LLVKDONJSA-N 300.384 -0.235 50 20 DBGD CCN(CC(=O)NNC(=O)c1cccs1)[C@H]1CCNC1=O 799352103 CSWRDKQFRLKWTR-VIFPVBQESA-N 310.379 -0.281 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1nccc(OC)n1 816859834 MYMQOTZSXDVAJR-SSDOTTSWSA-N 303.344 -0.744 50 20 DBGD O=C(NNC(=O)c1ccc(C(=O)O)cc1)C(=O)N1CCCC1 821451886 PLKRQCDTGNVOSG-UHFFFAOYSA-N 305.290 -0.232 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)Nc1cccnc1 826075821 BZOBVZPYAKLOAB-ONGXEEELSA-N 321.337 -0.225 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826424152 YAJDKJUMNXOSRX-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD C[C@@H](CN(C)CC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)O 827442242 HEDLHXCVHNXQBR-JTQLQIEISA-N 318.333 -0.028 50 20 DBGD NC(=O)N1CCC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 853388082 APQIYWVWQOACAY-NEPJUHHUSA-N 309.370 -0.504 50 20 DBGD O=C(CCNC(=O)c1ccsc1)NNC(=O)[C@@H]1CCC(=O)N1 862449159 MANDIWFLFRWJTG-VIFPVBQESA-N 324.362 -0.706 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](C2OCCO2)C1 863871997 JDNVIVNTWBOSDS-JTQLQIEISA-N 323.129 -0.269 50 20 DBGD C[C@]1(C(=O)N(CCO)CCOCCO)C[C@H]1Br 912771052 QRZHFMGPTHIPGD-KOLCDFICSA-N 310.188 -0.010 50 20 DBGD CN1CCO[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C1=O 913163525 QADYMXRZMVWIGT-RXMQYKEDSA-N 305.203 -0.338 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nc(C)c2ccccc2n1 1116187577 RGERTAHJUGMTJX-UHFFFAOYSA-N 317.305 -0.058 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1nc2ccccn2n1 1116747779 RSXAJBRCEFARSY-UHFFFAOYSA-N 301.266 -0.865 50 20 DBGD Cc1c(C(=O)NNC(=S)NC(C)C)nnn1-c1ccn(C)n1 1326196577 FXGGEMUVTMGKQP-UHFFFAOYSA-N 322.398 -0.173 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CCC(=O)OC(C)C 1326808983 DTTGRKJEWHSAPE-MRVPVSSYSA-N 303.315 -0.390 50 20 DBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1344365659 DUKGKZDVEHUSIW-GUBZILKMSA-N 316.379 -0.426 50 20 DBGD Cn1ncc(C2CC2)c1C(=O)NNC(=O)CN1CCCC1=O 1350836272 LMIGGQFYCDBGSC-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD CC[C@@H](N)C(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1578223163 TWBXAOLPVBUAAJ-RKDXNWHRSA-N 300.359 -0.120 50 20 DBGD CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C1 1590295861 BGDXSJJYODHIMV-LJGSYFOKSA-N 316.314 -0.543 50 20 DBGD CS(=O)(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 1591671345 FFUZIXIJRPDGQN-UHFFFAOYSA-N 322.350 -0.113 50 20 DBGD O=C(O)[C@H](Cc1ccncc1)NCc1ccccc1B(O)O 1594840761 JHIBTDQMERMOGF-AWEZNQCLSA-N 300.123 -0.453 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNC(=O)c2ccccn2)c1=O 1595156033 CCEFHOUSUVHGLH-UHFFFAOYSA-N 316.273 -0.597 50 20 DBGD CN(CCCNC(=O)NNC(=O)C(=O)O)CC(F)(F)F 1598480788 WEFGWKZFSMOKKN-UHFFFAOYSA-N 300.237 -0.714 50 20 DBGD COC(=O)CNC(=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1604939884 LOUFKFRCTJQODZ-UHFFFAOYSA-N 310.299 -0.871 50 20 DBGD O=C(O)CCCCC(=O)NNC(=O)[C@H]1CCc2nncn2C1 1606142160 YXLUNXGBXHDDGZ-VIFPVBQESA-N 309.326 -0.367 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1606254202 GGWXSIIIWRQJTB-UHFFFAOYSA-N 314.309 -0.382 50 20 DBGD O=C(NNC(=O)c1cscc1-c1nn[nH]n1)c1cnn[nH]1 1606854399 OBSCHSATYWRYFF-UHFFFAOYSA-N 305.283 -0.879 50 20 DBGD Cc1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1C(=O)O 1607809798 DXJKXZQBHXIZHI-JTQLQIEISA-N 313.335 -0.172 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 172160618 RCNRYMXHOAWBGK-SECBINFHSA-N 310.320 -0.030 50 20 DBGD COCC[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 263711084 KEIWZLNZUIYOAJ-SECBINFHSA-N 312.326 -0.235 50 20 DBGD CN1CCO[C@H](C(=O)NNc2nc(-c3cccnc3)no2)C1 266824825 JIAYVYWAHDWFNE-JTQLQIEISA-N 304.310 -0.095 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)COc2ccc(F)cc2)CC1=O 267489733 JPXZAHQEGPEJTH-JTQLQIEISA-N 324.312 -0.234 50 20 DBGD CCOCCCC(=O)NNC(=O)CNC(=O)c1cccnc1 268865575 RRTSQOQVHROHOZ-UHFFFAOYSA-N 308.338 -0.225 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC(=O)N2)cc1 270204436 HEHHABRHXUWQJD-GFCCVEGCSA-N 316.317 -0.247 50 20 DBGD O=C1CN(c2ccnc(C(=O)NNC(=O)C3CC3)c2)CCN1 276067171 FHYMGMSRPPQYSW-UHFFFAOYSA-N 303.322 -0.811 50 20 DBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 282977976 NCZKXNUDDSZCBP-GZMMTYOYSA-N 307.306 -0.515 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 286282052 IRUCFUWDQLHOQO-ZJUUUORDSA-N 308.294 -0.313 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293932487 OHGKMPCUSYCRGN-ONGXEEELSA-N 309.322 -0.423 50 20 DBGD CCN1CCO[C@@H](C(=O)NNC(=O)Cn2nc(C)cc2C)C1 371813370 BXBUXXLENCIGHO-GFCCVEGCSA-N 309.370 -0.632 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnc3c(c2)NC(=O)CO3)n[nH]1 374528963 WJMNXSHLCWWWJL-UHFFFAOYSA-N 316.277 -0.481 50 20 DBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@@](=O)C1 584982462 KYEXXUSXIJKJRA-AOUSDQRYSA-N 313.159 -0.654 50 20 DBGD COC1([C@H](C)NC(=O)c2ccc(B(O)O)cc2)CCOCC1 585000573 LZEBYOSASWPDTM-NSHDSACASA-N 307.155 -0.320 50 20 DBGD Cc1noc([C@@H]2CC[C@H](CNCc3ccc(B(O)O)o3)O2)n1 585050118 RSWWQQJFKKYENS-KOLCDFICSA-N 307.115 -0.339 50 20 DBGD O=C(NCB(O)O)c1ncoc1-c1ccc2c(c1)OCCO2 585061535 UTKNIFPABKFPJY-UHFFFAOYSA-N 304.067 -0.145 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1COc2ccc(F)cc21 728434260 LDOFTOIPVRJDBV-SSDOTTSWSA-N 315.326 -0.024 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CCC(=O)NC2)nc2ccccc2c1=O 733263488 FTZIYXVAJNEZQA-SECBINFHSA-N 315.333 -0.097 50 20 DBGD Cc1cc(NC(=O)CSCC(=O)NNC(=O)N(C)C)no1 746013104 UPGFOJSNUWYMGP-UHFFFAOYSA-N 315.355 -0.043 50 20 DBGD C[C@@H]1CN(c2ccc(C(=O)NNC(=O)CO)cn2)C[C@@H](C)O1 753442692 MDFLPPOXCRGSRD-NXEZZACHSA-N 308.338 -0.552 50 20 DBGD C[C@H]1CN(c2ccc(NC(=O)NNC(=O)CO)cn2)C[C@H](C)O1 755866061 SSNJHNXXNZXZOF-UWVGGRQHSA-N 323.353 -0.160 50 20 DBGD Cc1noc(C)c1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756287760 WKBDSEQZVOFELU-ZCFIWIBFSA-N 319.343 -0.618 50 20 DBGD CNC(=O)Cn1cc(NC(=O)NNC(=O)c2c[nH]nc2C)cn1 757867085 PSPWHFDCPQVRCJ-UHFFFAOYSA-N 320.313 -0.873 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H](O)C[C@H]2CO)cc1 764979973 IZVIXDOXVJADCA-QWHCGFSZSA-N 307.350 -0.816 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCN(C)C2=O)cc1 771881945 QSUMYMLGBCNJSB-LBPRGKRZSA-N 305.334 0.000 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 787838943 UFUSSAQHEAGCRD-LPEHRKFASA-N 313.354 -0.233 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](CO)[C@H](O)C2)cc1 808751942 QAATXOPZQKBVBT-UONOGXRCSA-N 321.377 -0.569 50 20 DBGD CCCNC(=O)NNC(=O)Cc1noc(C)c1-c1nn[nH]n1 825332989 ORVGPYNHGCCKKQ-UHFFFAOYSA-N 308.302 -0.554 50 20 DBGD O=C(CN1CSCC1=O)NNc1cccc(-c2nn[nH]n2)c1 826411968 VZZWXKRDNRCTFH-UHFFFAOYSA-N 319.350 -0.157 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOCCN(C)C 826979469 OANVKAFWTWLOTF-MNOVXSKESA-N 302.375 -0.680 50 20 DBGD CCOC(=O)[C@@H]1CSCCN1CC(=O)NNC(=O)C(C)C 827483828 MJCIWSTUCKGNLO-JTQLQIEISA-N 317.411 -0.230 50 20 DBGD COCCN1C[C@@H](C(=O)NNc2ccc(C(=O)O)cn2)CC1=O 833723786 AKUJUJKRKOTYDR-JTQLQIEISA-N 322.321 -0.282 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)NCCN1CCNCC1 841921563 TUGFSTBEAHDECV-UHFFFAOYSA-N 319.409 -0.227 50 20 DBGD O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)C1CC1 852132301 PJKRAMHVYRTKIH-UHFFFAOYSA-N 322.344 -0.705 50 20 DBGD CC(C)n1ccnc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 853303302 LBTCKPHVVQWVPR-VIFPVBQESA-N 301.372 -0.148 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC(=O)NC1 854279922 GYJBFYSSBYTIQI-SECBINFHSA-N 302.400 -0.613 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)[C@@H]1CCCCO1)C(C)=O 854683632 SHGNFUUVDXPHPN-QWRGUYRKSA-N 314.338 -0.139 50 20 DBGD CCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 858778458 JYJWJCLLDOVMLK-JTQLQIEISA-N 322.369 -0.097 50 20 DBGD COc1ccc(C)cc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862450540 WCLLNBRMBDUAGC-LLVKDONJSA-N 305.334 -0.028 50 20 DBGD COCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862456075 UVWSQNMJNGJPFY-LBPRGKRZSA-N 321.333 -0.249 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(NCC3CC3)nc2)N1 862458997 LLPGDLINFSCVSP-NSHDSACASA-N 317.349 -0.057 50 20 DBGD Cc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C#N 863413562 SLTPAHCEFWYCBY-JTQLQIEISA-N 322.346 -0.545 50 20 DBGD COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@H](B(O)O)C1 864232011 VGWVHTSBECQAQA-AXFHLTTASA-N 319.188 -0.403 50 20 DBGD O=C1[C@@H](NCc2cccc(B(O)O)c2)CCN1C1CCOCC1 877077936 WSUOSOSTUWUYCV-HNNXBMFYSA-N 318.182 -0.764 50 20 DBGD CN(C)N(C(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)[C@@H]1CCS(=O)(=O)C1 908278726 KIERTAIWAJAZQU-PKZYVASSSA-N 300.380 -0.296 50 20 DBGD CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(B(O)O)ccc1F 923314840 ZPOIYQFWFZOBCM-NWDGAFQWSA-N 306.146 -0.186 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCC(=O)Nc1ccccc1 1116182235 YWJGMGGVLOMBIZ-UHFFFAOYSA-N 308.294 -0.481 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 1116604078 MNCPLWMHVWNXTN-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD CN(C)C(=O)N[C@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118864178 LZCXOJKVGYSVFE-JTQLQIEISA-N 323.357 -0.500 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCc2nnc(C)n2C1 1255117498 DHCULLYCWZIEJK-PSASIEDQSA-N 323.353 -0.362 50 20 DBGD NC(=O)C(=O)NN=Cc1ccccc1OCC(=O)N1CCCC1 1317716393 BORNXXPVOAYALR-UHFFFAOYSA-N 318.333 -0.377 50 20 DBGD COc1ccccc1C(=O)C(=O)NNC(=O)C(=O)NC(C)C 1320292173 KHBHGIUDFBWTSV-UHFFFAOYSA-N 307.306 -0.450 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1cn(Cc2cccnc2)nn1 1320309253 ZOMJBXSBBMMHTL-UHFFFAOYSA-N 315.337 -0.304 50 20 DBGD CCNC(=O)CCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1326113679 YNIYPCJFKXQCOZ-SNVBAGLBSA-N 305.400 -0.605 50 20 DBGD Cc1c(C(=O)NNC(=O)CS(C)(=O)=O)ccc2cncn12 1329591273 ZTWXLXYCYKKVER-UHFFFAOYSA-N 310.335 -0.552 50 20 DBGD CC(C)(CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)CC(=O)O 1590726668 SWKOYFAACPXQBT-LBPRGKRZSA-N 321.399 -0.132 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)n(C)c1 1594865274 CIPQDJCRDXZFPZ-SSDOTTSWSA-N 310.310 -0.145 50 20 DBGD CCOC[C@H](C(=O)O)N(C)CC(=O)NNC(=O)c1ccccc1 1596877782 QNYWVYCFMJEVQJ-GFCCVEGCSA-N 323.349 -0.131 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(C(=O)O)no1 1599226577 BOPXPVVZUNMLMW-UHFFFAOYSA-N 316.339 -0.140 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1cccc(C(=O)O)c1 1603706536 XYHPGWHMFDNOMX-NSHDSACASA-N 309.322 -0.039 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)N=c1cc[nH]cc1 1605539425 UGIJACOBDRALAV-UHFFFAOYSA-N 304.266 -0.598 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cn1 17195616 QBFGSRRZAYRQDP-UHFFFAOYSA-N 312.289 -0.269 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 269449353 CBCVTCWEJFLRMD-ZRDIBKRKSA-N 322.365 -0.374 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 272550437 YXZFNBPYGCJFFH-UWVGGRQHSA-N 324.362 -0.007 50 20 DBGD COc1cccc(NNC(=O)NCC(=O)N2CCOCC2)n1 272582289 RCEXCFUUOKXHLG-UHFFFAOYSA-N 309.326 -0.425 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 275548874 GNFYSWNHEPRRHT-MNOVXSKESA-N 321.337 -0.350 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 276165692 AQEWHTNIEFFKNZ-UHFFFAOYSA-N 311.313 -0.597 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCNC(=O)c2ccco2)CC1 278768465 XYGVTWZSFILMHM-UHFFFAOYSA-N 323.353 -0.612 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CCn2ncn(C)c2=O)cc1 292540863 BDDBJVBRUQOQDM-UHFFFAOYSA-N 317.349 -0.005 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)c1ccc[nH]1 299021109 MMJWULJFULBBKD-UHFFFAOYSA-N 300.340 -0.799 50 20 DBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)OC 495327243 WUYGWRPGAYDTPG-JTQLQIEISA-N 319.325 -0.338 50 20 DBGD C[C@@H]([C@@H](C)NC(=O)c1cccc(B(O)O)c1)N1CCOCC1 584941620 MFEWAXCOFFNFOW-NEPJUHHUSA-N 306.171 -0.795 50 20 DBGD C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(B(O)O)cc1 584975388 BXFIQTFMBCJYME-GFCCVEGCSA-N 320.198 -0.716 50 20 DBGD Cc1nnc([C@@H]2COCCN2C(=O)c2cccc(B(O)O)c2)o1 584983803 UFXUKKXAWLBCMV-LBPRGKRZSA-N 317.110 -0.728 50 20 DBGD CS(=O)(=O)C1(CNCc2ccc(B(O)O)o2)CCCCC1 585047377 OFYJJHNVGOVVKE-UHFFFAOYSA-N 315.200 -0.204 50 20 DBGD C[C@H](C(=O)N1CC[C@@H](B(O)O)C1)N1C(=O)NC2(CCCC2)C1=O 585067881 WKWMTWFTMGFSTI-NXEZZACHSA-N 323.158 -0.685 50 20 DBGD C=CCNC(=S)NNC(=O)CCCN1C(=O)CN(C)C1=O 725908468 BQUVONJEGFZUQN-UHFFFAOYSA-N 313.383 -0.658 50 20 DBGD C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NNC(=O)C1CC1 733311418 UFEJJGJIUNJSSD-IUCAKERBSA-N 305.400 -0.703 50 20 DBGD Cc1nonc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 733886522 NZAHHIAYKSEUID-UHFFFAOYSA-N 314.265 -0.571 50 20 DBGD COC[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 741793845 BLTPREBBBRYADI-JTQLQIEISA-N 313.379 -0.144 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)COc1ccc(F)cc1 745849297 PINVFABGMYFWEB-NRFANRHFSA-N 317.342 -0.087 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)Cn1cccn1 748455814 BUSCFZOUVMSTBR-NSHDSACASA-N 322.369 -0.528 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CN1 751206108 CIOIEOSJZMZIHW-MRVPVSSYSA-N 324.362 -0.849 50 20 DBGD O=C(CO)NNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 753445072 FNWZOHATJMQJJH-UHFFFAOYSA-N 305.193 -0.051 50 20 DBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)O1 756906653 UEPKHTWZBFILMX-IVZWLZJFSA-N 304.368 -0.474 50 20 DBGD CC[C@H](C)n1nc(NC(=O)C(=O)NNC(=O)COC)cc1C 764302425 LQUMUXNOXFMOJX-QMMMGPOBSA-N 311.342 -0.105 50 20 DBGD CCN(CC)c1ccc(NC(=O)C(=O)NNC(=O)CO)cn1 764428721 KIRPGWPJPCHDLU-UHFFFAOYSA-N 309.326 -0.994 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(=O)NC2CC2)CC1 772089036 NYPCDADDOVJNNB-QMMMGPOBSA-N 311.338 -0.466 50 20 DBGD CC(=O)NCC[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 805821516 APHJNSGJFVURIF-LBPRGKRZSA-N 310.398 -0.218 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=S)NCCc1cccs1 819427538 OTWRVHAHPSCYGH-UHFFFAOYSA-N 321.449 -0.170 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)NC2CCCC2)n1 824348861 BSXKKWJREXKUCZ-UHFFFAOYSA-N 308.346 -0.594 50 20 DBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)N1CCN(C)CC1 830240603 DTEVAXZVGIDKQH-NSHDSACASA-N 307.354 -0.163 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 831748462 CVOSPWXDOXPXDQ-BDAKNGLRSA-N 318.337 -0.081 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)S(C)(=O)=O 854279796 JFWHZIQUYGIYAK-QMMMGPOBSA-N 311.429 -0.707 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=O)OCC(F)(F)F 856025580 UOJZPHPNDQIOMP-UHFFFAOYSA-N 319.261 -0.658 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H](CO)c2ccccc2)N1 858696530 MSUVZLAGAUCPTH-MNOVXSKESA-N 306.322 -0.671 50 20 DBGD CN(CC1(N(C)C)CCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858698841 CHICJNYUVVZRSA-JTQLQIEISA-N 311.386 -0.578 50 20 DBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2cn[nH]c2)cc1C 860852832 LXLQPFWSUMIWDM-UHFFFAOYSA-N 320.313 -0.873 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC2 861805131 UGACMQMXNPEQSR-UHFFFAOYSA-N 306.322 -0.731 50 20 DBGD COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454412 UIBWNUVMPSHZFR-IUCAKERBSA-N 314.342 -0.817 50 20 DBGD CN1CCc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccc21 862459751 AVXOMSXJTFPZFU-NSHDSACASA-N 302.334 -0.282 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1C 863877456 YBRVNJLBQQGREH-LDYMZIIASA-N 309.102 -0.613 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN2CC(F)(F)C[C@H]2C1 863884267 FQYQBZLJWHTOLA-LBPRGKRZSA-N 310.109 -0.468 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)o1 864230899 GHRWFRMCWLGHNI-SSDOTTSWSA-N 303.101 -0.696 50 20 DBGD COCCOCC(=O)NNC(=O)C(=O)N1CCC[C@@H](C)C1 869907294 HRDXCPJMGWETMQ-SNVBAGLBSA-N 301.343 -0.945 50 20 DBGD COC(=O)[C@@H]1CSCCN1CC(=O)NNC(=O)C(C)C 887077045 CNXMMIWGOAOJFC-VIFPVBQESA-N 303.384 -0.620 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)NC[C@H]1COCO1 923859535 FUOBNIXZSDQUEF-NSHDSACASA-N 313.285 -0.092 50 20 DBGD CN(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C(=O)C1CC1 1319097317 DNRGZCGFHBYVFS-UHFFFAOYSA-N 319.321 -0.964 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CCOC)c1 1320240021 RCHWSPKHXXLQIE-VIFPVBQESA-N 311.342 -0.339 50 20 DBGD N#CCNC(=O)CNC(=O)NNc1ccc2c(=O)[nH]ccc2c1 1323173978 IYVDSMAPVJNBQT-UHFFFAOYSA-N 314.305 -0.206 50 20 DBGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1346069849 VTTWOBPSPGSZEA-PSASIEDQSA-N 324.337 -0.299 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)n1 1349160102 UPIGSYBJOIBANH-MNOVXSKESA-N 306.370 -0.375 50 20 DBGD CO[C@H]1CN[C@](C)(C(=O)NNc2nncc(N)c2Cl)C1 1573960279 IENDZLUNUYAVEB-KBUNVGBDSA-N 300.750 -0.078 50 20 DBGD C[C@@]1(C(=O)N2CCN(C(=O)C(=O)O)CC2)C[C@H]1Br 1589181613 MXFMYQJABMASNS-RDDDGLTNSA-N 319.155 -0.085 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@@](C)(Cn1cccn1)C(=O)O 1590939022 OJHMZYPPUGIVFO-ZDUSSCGKSA-N 311.342 -0.881 50 20 DBGD COC[C@]1(C(=O)O)CCCN1C(=O)c1cccc(B(O)O)c1 1606833211 MUSUSBHCOMJCSE-AWEZNQCLSA-N 307.111 -0.928 50 20 DBGD COc1ccsc1S(=O)(=O)NNC(=O)NCC(=O)O 1610368215 CASDSQOWHRRLCL-UHFFFAOYSA-N 309.325 -0.666 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CCCNC(=O)C2CC2)n1 32681352 VUCBMOSWMKVEQI-UHFFFAOYSA-N 321.381 -0.046 50 20 DBGD COCCCNC(=O)NNC(=O)CCn1c(C)csc1=O 65207489 UMXIURCPHQYXNC-UHFFFAOYSA-N 316.383 -0.025 50 20 DBGD COc1cc(C)nc(NNC(=O)NCC(=O)NCC2CC2)n1 272384587 WANLNRXDFMJXFK-UHFFFAOYSA-N 308.342 -0.054 50 20 DBGD C=CCS(=O)(=O)CCNS(=O)(=O)CBr 272828911 KQIBDOYEHOPYQD-UHFFFAOYSA-N 306.203 -0.141 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1O 287369130 YZJADSOLEREGJB-VHSXEESVSA-N 323.305 -0.805 50 20 DBGD COc1ccnc(NNC(=O)c2cnc3c(c2)NC(=O)CO3)n1 367461272 UDLLDTVDEBDHLQ-UHFFFAOYSA-N 316.277 -0.032 50 20 DBGD CCN(CC(=O)NC(C)C)C(=O)c1cc(B(O)O)ccc1F 584927551 UIUKRUXHVUWSQF-UHFFFAOYSA-N 310.134 -0.508 50 20 DBGD CC(C)N1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CC1=O 584937757 GTVCBVYHYNSRLP-JTQLQIEISA-N 308.118 -0.755 50 20 DBGD Cn1cc(C(C)(C)NC(=O)c2ccc(B(O)O)c(F)c2)cn1 584952186 SUYNYJNEBYRJEB-UHFFFAOYSA-N 305.118 -0.096 50 20 DBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C(N)=O)C1 584973371 GXMPTOKWJJCVCV-UFBFGSQYSA-N 308.118 -0.769 50 20 DBGD CN1CC[C@H]2OCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@H]2C1 584995929 ZSGZNDLZCLCWMV-UONOGXRCSA-N 322.145 -0.949 50 20 DBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)c1ccc(F)c(F)c1 585065922 LCWZIXFCMBZEMN-SECBINFHSA-N 312.081 -0.230 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCCCl 696853312 KCOILUHGTSICFC-YUMQZZPRSA-N 305.805 -0.653 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NCCn1cncn1 730908650 WGAUIVXHLHSDEB-UHFFFAOYSA-N 320.309 -0.607 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)C2CCCC2)nn1 742796701 YOZZUVVPIQJBJI-UHFFFAOYSA-N 308.342 -0.683 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 745099884 XCVNLCAVRMBWSP-UHFFFAOYSA-N 304.328 -0.376 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 745978332 RRAFCFLTEBDPHM-UHFFFAOYSA-N 304.328 -0.676 50 20 DBGD NC(=O)c1cccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 755664454 LPDBHYHRNWNIPQ-LLVKDONJSA-N 324.362 -0.394 50 20 DBGD COC(=O)[C@@]1(N[C@H](C)C(=O)NNC(=O)CC(C)C)CCOC1 767684145 LJKPSLIYMVPSDS-QMTHXVAHSA-N 315.370 -0.510 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cnc2O)n[nH]1 768277687 WIJKUJYGWNAAAX-UHFFFAOYSA-N 306.238 -0.198 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cccn2C)nn1 772840134 FLPUBAUZNJCMSF-UHFFFAOYSA-N 304.310 -0.056 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCNC(=O)C[C@H]2C)c1 777714207 QLFVOMWZXDHDQP-GFCCVEGCSA-N 318.377 -0.034 50 20 DBGD N#Cc1ccc(C[C@@H](C#N)C(=O)NNC(=O)c2cnn[nH]2)cc1 792143418 NCTBYKCQKATRLG-NSHDSACASA-N 309.289 -0.180 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CCCC(=O)N1 799669023 UCUQEUAHIBXVLJ-LLVKDONJSA-N 315.333 -0.307 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cn(C)nc2C(F)F)CC1 807381751 HJNIMRKNEMTQPD-UHFFFAOYSA-N 316.312 -0.041 50 20 DBGD CSCCNC(=S)NNC(=O)/C=C1\SCC(=O)N1C 821491497 ASWLIUQRBKTEAQ-UITAMQMPSA-N 320.465 -0.109 50 20 DBGD CN1CCN(C(=O)NNC(=O)C2(Br)CC2)CC1 822764419 GXQCZZUNRHJRHM-UHFFFAOYSA-N 305.176 -0.098 50 20 DBGD CC(C)N1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 827269170 VQGFGCURNPVVOH-WDEREUQCSA-N 312.370 -0.295 50 20 DBGD COC(=O)[C@H]1C[C@H]2CC[C@H]1N(CC(=O)NNC(=O)C1CC1)C2 839175838 XHXFHMNTLWKUIR-ADEWGFFLSA-N 309.366 -0.183 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O 843971522 RAVSTKYPAVUPQM-KATARQTJSA-N 306.384 -0.372 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](CN2CCCC2=O)C1 852680409 UTMIDHAVUKMPRR-RYUDHWBXSA-N 310.398 -0.123 50 20 DBGD CCS(=O)(=O)CCN(C)C(=O)c1cc(B(O)O)ccc1F 863877941 LJSJVKJUOBPSPA-UHFFFAOYSA-N 317.147 -0.988 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(CCC#N)CC1 868735104 DVBVPJGFZJCJIE-RYUDHWBXSA-N 309.370 -0.317 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H]1C1OCCO1 888447336 OIPWIHFMYCOFRP-LBPRGKRZSA-N 309.102 -0.517 50 20 DBGD C[C@H](C(=O)NNC(=S)NC(C)(C)C)N1C(=O)CCC1=O 899992215 RSVBYUCFIRLJAU-SSDOTTSWSA-N 300.384 -0.182 50 20 DBGD C[C@@H](O)CN(C)NC(=O)Cc1csc(N2CCOCC2)n1 910150571 SPBNRBAKHINRQJ-SNVBAGLBSA-N 314.411 -0.134 50 20 DBGD C[C@H](O)CN(C)NC(=O)CCNS(=O)(=O)c1ccccc1 910180254 KGBQBNLYROMTTF-NSHDSACASA-N 315.395 -0.301 50 20 DBGD O=C(C[C@@H]1CCCCO1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1116242722 ALNONIUKBZMKEI-UWVGGRQHSA-N 304.368 -0.472 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSCc1ccccn1 1118894966 BNGCURLRRZXJON-UHFFFAOYSA-N 317.392 -0.493 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1c(C)ncnc1O 1320491594 OZSACSPLEKCYRS-VIFPVBQESA-N 324.337 -0.088 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(=O)n(CC)n1 1320492229 WEHKZUHKMHOOCO-QMMMGPOBSA-N 310.310 -0.634 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(C)c1C#N 1320580288 QOAYNCIAARFMJX-UHFFFAOYSA-N 304.262 -0.874 50 20 DBGD NC(=O)c1cccc(C(=O)NNC(=O)NCC(F)(F)F)n1 1321135879 HGPLHXHHDHCTTG-UHFFFAOYSA-N 305.216 -0.313 50 20 DBGD O=C(NNC(=O)[C@@H]1CC12CCC2)N[C@@H]1CCS(=O)(=O)C1 1340325034 PEQXLUGSDKXZLG-BDAKNGLRSA-N 301.368 -0.306 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)c2cnnn2C)nc1C 1344547680 CMRWUOFIJNNTCL-UHFFFAOYSA-N 305.298 -0.153 50 20 DBGD C[C@@H]1CCS(=O)(=O)CCN1C(=O)NNC(=O)c1cn[nH]c1 1351353852 UTKKUFDEVSVIDZ-MRVPVSSYSA-N 315.355 -0.727 50 20 DBGD CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCN1 1575125951 QNMPZKXCBQBVND-MNOVXSKESA-N 310.398 -0.077 50 20 DBGD O=C(NC[C@@H]1CCC2(CNC2)O1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1580645850 MQISZURWAIBCKB-NOOOWODRSA-N 324.381 -0.595 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)ccc1C 1596861954 QNVFHJYQNBYPGR-UHFFFAOYSA-N 323.305 -0.184 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1nnc(CCC(=O)O)s1 1598196772 KOHYJMXVAHCNNV-UHFFFAOYSA-N 316.343 -0.730 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C23CC(C(=O)O)(C2)C3)n1 1600178989 PUZMRMGCJDANRV-UHFFFAOYSA-N 306.322 -0.098 50 20 DBGD Cc1oc(C(=O)O)cc1C(=O)NNC(=O)CS(C)(=O)=O 1600825970 ANLXRAUFZIHLRY-UHFFFAOYSA-N 304.280 -0.908 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cnn(C)n2)o1 1603411991 CVMJSWNZSJAMCR-UHFFFAOYSA-N 318.301 -0.137 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1coc(-c2nn[nH]n2)c1 1606591715 USPGIRMCXOWRFA-UHFFFAOYSA-N 302.254 -0.814 50 20 DBGD COCCN1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1 111196926 PLHNYBNKNGKAIC-ZDUSSCGKSA-N 314.430 -0.168 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccccc1)[C@H]1CCNC1=O 281983625 WLCOPJYQOPZCRM-LBPRGKRZSA-N 304.350 -0.342 50 20 DBGD CN(C)c1noc(CCC(=O)Nc2cccc(B(O)O)c2)n1 584914313 UPCPYQDTDIEIAV-UHFFFAOYSA-N 304.115 -0.613 50 20 DBGD O=C(NCCCOC[C@@H]1CCCO1)c1cccc(B(O)O)c1 584943064 BIDTYJYGBUZXRM-AWEZNQCLSA-N 307.155 -0.318 50 20 DBGD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584946615 VVXZXASKRHCEIH-NWDGAFQWSA-N 318.182 -0.114 50 20 DBGD C[C@@H]1[C@@H](CNCc2ccc(B(O)O)cc2F)N(C)CCN1C 585042531 DTEVVKQADPAENE-IAQYHMDHSA-N 309.194 -0.771 50 20 DBGD O=C(Cc1cccnc1)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 728856275 LSRANUTTZNSYTF-UHFFFAOYSA-N 324.318 -0.340 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H]1C 739913920 TZWNETYPUADTNU-WDEREUQCSA-N 319.427 -0.313 50 20 DBGD C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 744403300 OVFNKYAPVZPWFK-VHSXEESVSA-N 321.443 -0.067 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@@H]1CCNC1=O 759434448 AXDMASNEIKMVEN-LLVKDONJSA-N 308.313 -0.593 50 20 DBGD CC(C)(C)[C@@H](O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 764606181 QGUZDNQQDFWXBB-NSHDSACASA-N 318.337 -0.170 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NN(C)C(N)=O)ccc1F 778414426 BPDOPOFDNUFWFZ-UHFFFAOYSA-N 304.303 -0.611 50 20 DBGD Cc1cnc(Cl)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 787888933 GIJZLWWUYTZGAC-UHFFFAOYSA-N 313.745 -0.309 50 20 DBGD C[C@]1(NNC(=O)NCCOCC(F)F)CCS(=O)(=O)C1 788319252 SHDUCUCSNAKXGG-JTQLQIEISA-N 315.342 -0.351 50 20 DBGD CC(=NNC(=O)Cn1nc(C)cc1C)c1cn(CC(=O)O)nn1 825798664 QZMXLJNQGHYUGB-UHFFFAOYSA-N 319.325 -0.284 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C12CC(C(=O)OC)(C1)C2 830518184 PYJHBOGPGJVHDV-UWEQVVMYSA-N 312.322 -0.181 50 20 DBGD CN(CCCN)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 843351406 RNQSULABZPTION-UHFFFAOYSA-N 309.326 -0.364 50 20 DBGD C[C@@H](CC(=O)NNC(=O)COc1ccc(C#N)cc1)NC(N)=O 847287653 YNTJBFOUUQZQQZ-VIFPVBQESA-N 319.321 -0.469 50 20 DBGD CN(C)CC[C@@H](N)C(=O)NNc1ncc(Br)cn1 848436192 IZKWTXJPENOULW-MRVPVSSYSA-N 317.191 -0.039 50 20 DBGD COC(=O)[C@@H]1CNCCCN1S(=O)(=O)CBr 850588201 WRFYGQJZPBMPJR-ZETCQYMHSA-N 315.189 -0.495 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H](c3cccnc3)C2)N1 858702398 JDHKABBQDPPFCT-NWDGAFQWSA-N 317.349 -0.110 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)CC(F)(F)F)c1 862058877 ZWHRBCNOLOEKBM-UHFFFAOYSA-N 308.216 -0.231 50 20 DBGD O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1CCC(=O)N1 862449758 SSAFYTBWZYLFNL-JTQLQIEISA-N 319.317 -0.574 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c2ccccn12 862455692 IRJUXYFBSLJRKC-SECBINFHSA-N 301.306 -0.318 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(OC(F)F)cn1 863465263 ZNCZSPLMOZRWCC-UHFFFAOYSA-N 323.277 -0.511 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)c1c(C)nn(C)c1C 869909203 MVERBDONTLUVRN-SECBINFHSA-N 312.370 -0.049 50 20 DBGD O=C(NN=Cc1ccc(O)cc1O)N[C@H]1CCS(=O)(=O)C1 920380473 JYDNJENTWVDDDL-VIFPVBQESA-N 313.335 -0.082 50 20 DBGD Nc1cnnc(NNC(=O)CCN2CCOCC2)c1Cl 1116298342 MUAHTEHWXGYUTB-UHFFFAOYSA-N 300.750 -0.122 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(C2CC2)no1 1116908715 JWAYTJFMKSIDDZ-MRVPVSSYSA-N 313.335 -0.252 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 1256559512 CDIBXAMWXILVDO-UHFFFAOYSA-N 320.305 -0.462 50 20 DBGD COCCOCC(=O)NNC(=O)C1(O)Cc2ccccc2C1 1261881136 XQVGKQDYKAZOKW-UHFFFAOYSA-N 308.334 -0.673 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)c1ccc(C#N)cc1 1324272075 HTQBUWDGPFEVDU-UHFFFAOYSA-N 314.305 -0.335 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cnn1C 1326048321 SARSNQDBKWJNSL-BDAKNGLRSA-N 309.326 -0.761 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1328084857 CEAKAQUUVOHOGZ-JTQLQIEISA-N 320.305 -0.242 50 20 DBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)N[C@@H]1CCS(=O)(=O)C1 1330998728 SPPIKJWTRIDOHG-IMSYWVGJSA-N 301.368 -0.450 50 20 DBGD Cc1nn(C(C)C)cc1C(=O)NNC(=O)CS(C)(=O)=O 1331832267 AFGQRWGBANUYBG-UHFFFAOYSA-N 302.356 -0.422 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@H](C)n1cnc2c(N)ncnc21 1350526033 XAYQIKUSFDOFJF-ZETCQYMHSA-N 322.398 -0.127 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CCN[C@@H]([C@H]2CCCO2)C1 1580736459 TYQFALCJGBMDQH-FDYHWXHSSA-N 311.382 -0.140 50 20 DBGD O=C(NNC(=O)c1cnnn1C1CNC1)NC1CCCCC1 1580736951 DWHFWKDQMJVVAJ-UHFFFAOYSA-N 307.358 -0.301 50 20 DBGD O=C(O)C1CC2(CC[C@@H](CNCc3cccc(B(O)O)c3)O2)C1 1594904927 JCILKASHVFBAIF-UGWHAMFMSA-N 319.166 -0.132 50 20 DBGD Cc1cccc(F)c1S(=O)(=O)NNC(=O)NCC(=O)O 1607855501 ZUYVHIPFIMCZQR-UHFFFAOYSA-N 305.287 -0.289 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ncon2)C1 1844591610 OHTKHMAEOCRFRR-MRVPVSSYSA-N 314.729 -0.514 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1 270460480 ADVCCODNOUJUDH-VIFPVBQESA-N 319.321 -0.231 50 20 DBGD CN(CCN1CCNCC1)CC(=O)NNC(=O)c1ccccc1 390941861 RBTZYTNOBUVCJD-UHFFFAOYSA-N 319.409 -0.715 50 20 DBGD CC[C@@H](CCNC(=O)c1ccc(B(O)O)cc1)N1CCCC1=O 584939571 JYTOVTDBVGMGOY-AWEZNQCLSA-N 318.182 -0.113 50 20 DBGD CCO[C@@H](CCN(C)C)CNC(=O)c1cccc(B(O)O)c1 584956723 ACVXINAKTDSXCX-AWEZNQCLSA-N 308.187 -0.547 50 20 DBGD O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1ccc(B(O)O)c(F)c1 584963838 ZGLACDSVIDUXMH-KJWJVKQFSA-N 307.130 -0.358 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@@H]1OC 584973712 BPXDINKIEHWRTO-UPJWGTAASA-N 311.118 -0.572 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCn2c(nnc2C(F)F)C1 584985413 LXAJGLAZHPSKEJ-UHFFFAOYSA-N 322.080 -0.449 50 20 DBGD COCCCS(=O)(=O)NNC(=O)COc1ccccc1O 732222286 OCGQPSMGGJYCDM-UHFFFAOYSA-N 318.351 -0.242 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739360452 FHVZYBOFUQNXNM-BDAKNGLRSA-N 302.290 -0.096 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)C[C@@H]1CCCCO1 740810524 XUQIPVIDNWBROG-VIFPVBQESA-N 307.372 -0.969 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1cccc([N+](=O)[O-])c1 748005688 HFEQYTSBNCGRDP-UHFFFAOYSA-N 302.312 -0.023 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1CCOCC1 748626565 XMSWBAZLMBJFCT-SNVBAGLBSA-N 303.359 -0.205 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 754968642 XNLQQICVXFKAHB-CQSZACIVSA-N 310.306 -0.384 50 20 DBGD Nc1c(C(=O)NNC(=O)Cc2cc[nH]n2)cccc1[N+](=O)[O-] 755269578 SZSGZMJCGIURGP-UHFFFAOYSA-N 304.266 -0.096 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(OC)n1 763563755 VBMLLVBCMPKDTP-UHFFFAOYSA-N 308.294 -0.405 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c(O)cccc1O 770380529 NPQYDHJQPYXTQR-SSDOTTSWSA-N 314.319 -0.707 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(F)cc(F)c1 779844155 GDFLAUSZMKTYCQ-UHFFFAOYSA-N 323.277 -0.370 50 20 DBGD CN(C)CCOCCNC(=O)NNc1nc2ccccn2n1 790515283 UZWSWHXBMYAOLJ-UHFFFAOYSA-N 307.358 -0.066 50 20 DBGD C[C@](O)(C(=O)NNC(=O)CNC(=O)c1ccco1)C1CCC1 813434854 VUJMNRGLSKHPHJ-CQSZACIVSA-N 309.322 -0.292 50 20 DBGD CC(=O)N1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1 827268865 SROSEDWVCQOIMY-ZYHUDNBSSA-N 312.370 -0.294 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CC(=O)NCC(F)(F)F 843977481 GNENZJJZVRTFEH-RNFRBKRXSA-N 311.260 -0.373 50 20 DBGD Nc1nccc(C(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1[N+](=O)[O-] 848241868 RZCFGJWRCWSHQJ-BWVDBABLSA-N 321.293 -0.100 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 854926974 RTUZUDKCEAAZEL-WRWORJQWSA-N 302.425 -0.092 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(F)n1 856426562 ATVRTNIYQCIQSJ-ZETCQYMHSA-N 318.330 -0.691 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1nn(C)c2ccccc12 858167775 HUNDLPFHWXGAKC-UHFFFAOYSA-N 303.322 -0.141 50 20 DBGD O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)[C@H]1CCC(=O)N1 862448421 DKZHZZZOGSGPEV-XJIUSYNZSA-N 317.301 -0.146 50 20 DBGD Cn1cc(-c2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)o2)cn1 862462085 ULGAHNIBBUZVHG-SECBINFHSA-N 317.305 -0.280 50 20 DBGD Cc1ccc2oc(C(=O)NNC(=O)CS(C)(=O)=O)cc2n1 863461585 OBHUTCAGJJOWDL-UHFFFAOYSA-N 311.319 -0.058 50 20 DBGD COC(=O)CCSCCNC(=O)c1ccc(B(O)O)cc1 863881656 UKOFVOSRPGGJSV-UHFFFAOYSA-N 311.168 -0.608 50 20 DBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H]1Br 912977271 HYCPXTSDBNEKDF-KORWRZNCSA-N 304.144 -0.414 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC12CCOCC2 1116197439 NSSSFMBDCGXCRV-SNVBAGLBSA-N 321.333 -0.027 50 20 DBGD CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)OC)C1 1116210311 DQTWHTPYVPXFOM-SYLNSOGPSA-N 319.383 -0.430 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)N2CCOCC2)n1 1116276280 IECTWVCPDWBOGH-UHFFFAOYSA-N 307.310 -0.872 50 20 DBGD CC(C)(CC(N)=O)NCC(=O)NNC(=O)c1cccc(C#N)c1 1116582327 IJSUGJFLLGRILT-UHFFFAOYSA-N 317.349 -0.437 50 20 DBGD CC(C)Cc1ncc(NC(=O)C(=O)NNC(=O)CCO)cn1 1116859051 TUDCUUNVSCCRKF-UHFFFAOYSA-N 309.326 -0.857 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 1320246366 MSSBVXXUEPQVCD-UHFFFAOYSA-N 322.277 -0.031 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1324348646 NJKSSDOGYUCVTB-UWVGGRQHSA-N 305.400 -0.607 50 20 DBGD COc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)CCO 1325519835 RKROCGLBBQOZLR-UHFFFAOYSA-N 315.713 -0.183 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)Cc1ccncc1 1326026616 HXKLPVZNEQQCEK-KOLCDFICSA-N 321.337 -0.589 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1326110271 HTEWXMQMPIBSIL-ZJUUUORDSA-N 303.384 -0.901 50 20 DBGD Cc1[nH]ccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1331106387 NSDMTELHJQFIIZ-QMMMGPOBSA-N 300.340 -0.546 50 20 DBGD CN1CCC(C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 1333994666 LNAIVSOQACJCFU-UHFFFAOYSA-N 305.342 -0.146 50 20 DBGD Cn1[nH]cnc1=NC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1351155504 KXFHKCJGRRWLDT-WKEGUHRASA-N 316.159 -0.535 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)cc1 1520729452 QECIZUYPZJWSGK-SMDDNHRTSA-N 318.377 -0.156 50 20 DBGD C[C@@]1(C(=O)NNc2cc(O)nc3ncccc23)C[C@@H](O)CN1 1576349933 KNGMASVSTDPGRF-CLAHSXSESA-N 303.322 -0.109 50 20 DBGD Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)CN(C)C 1592107178 KSUBJHIQFXEMEU-UHFFFAOYSA-N 318.341 -0.111 50 20 DBGD O=C(Cc1ccccc1O)NNC(=O)C1(C(=O)O)CCOCC1 1594711270 NVENBSVLCWNCKM-UHFFFAOYSA-N 322.317 -0.037 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)NC1CC1 49151046 YTPVHEFZAZVPAL-QMMMGPOBSA-N 307.397 -0.601 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnn(C)c2)C[C@@H](C)O1 111545078 WDRRKYYOSSYBBA-GHMZBOCLSA-N 309.370 -0.320 50 20 DBGD O=Cc1ccc(OCC(=O)NNC(=O)N2CCOCC2)cc1 263917948 YKXVVWVJGMWXQQ-UHFFFAOYSA-N 307.306 -0.049 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(-n2cnnn2)c1 295673261 XFQFTDAVBCVIKF-GFCCVEGCSA-N 316.321 -0.008 50 20 DBGD C#CCn1ccc(CN(CC)CC(=O)NNC(=O)C2CC2)n1 491794659 RNKGNSCVTCPAHV-UHFFFAOYSA-N 303.366 -0.104 50 20 DBGD C[C@@H](CN1CCOC[C@H]1C)NC(=O)c1cc(B(O)O)ccc1F 584942911 ZQRLKIWPTPTAED-WDEREUQCSA-N 324.161 -0.656 50 20 DBGD O=C(N[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1)C1CCC1 584943547 JJJQJMCTXASUSX-CQSZACIVSA-N 316.166 -0.503 50 20 DBGD CC(C)(C)N1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584954122 FRVSEOCRORZHQS-JTQLQIEISA-N 322.145 -0.365 50 20 DBGD CC(C)OCC[C@@H](C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584975346 WAGSTPXKVCRLLL-NSHDSACASA-N 308.118 -0.057 50 20 DBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCN2CCO[C@H]1C2 584995517 WHDMSFWCGGVNHP-KBPBESRZSA-N 322.145 -0.949 50 20 DBGD OB(O)c1ccc(CNC[C@H](O)COc2ccc(F)cc2)o1 585019135 CQTWWZMCRUROEW-NSHDSACASA-N 309.102 -0.372 50 20 DBGD OC[C@@H](CNCc1ccc(B(O)O)cc1)CC1CCOCC1 585039149 OXKPEUYHKJMSFR-OAHLLOKOSA-N 307.199 -0.119 50 20 DBGD C[C@H]1Oc2ccccc2N(CC(=O)N2CC[C@@H](B(O)O)C2)C1=O 585070428 ZVLYODDTORGVCP-GHMZBOCLSA-N 318.138 -0.124 50 20 DBGD NS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)CBr)C1 725528904 LELCYPFNPQVGGF-ZCFIWIBFSA-N 321.218 -0.721 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)NC(C)C)C1 745136284 VULIMZJROVCUNZ-SNVBAGLBSA-N 320.415 -0.213 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)cc1OC 746092137 GCHLDULPEWKKOI-CYBMUJFWSA-N 323.349 -0.205 50 20 DBGD NC(=O)c1cnn2c(C(=O)NNC(=O)c3ccccc3)ccnc12 757989694 YRSCYEXMHDCKGD-UHFFFAOYSA-N 324.300 -0.097 50 20 DBGD CN1CCN(CC(=O)NNC(=O)Cc2ccccc2F)CC1=O 780639873 ZTGJOQICIIOMPO-UHFFFAOYSA-N 322.340 -0.710 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](CS(C)(=O)=O)C1 795088407 UXZMEWHXCBJCQG-JTQLQIEISA-N 319.427 -0.454 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc2n(n1)CCO2 811398759 JYWYAYVLZIVPMQ-UHFFFAOYSA-N 312.326 -0.174 50 20 DBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@H](C)NS(C)(=O)=O 811641664 KUWFFRPWOHAQSF-IUCAKERBSA-N 304.372 -0.915 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC([C@@H](O)C(=O)O)CC1 833422014 QVXAHZCGNNNEKR-LLVKDONJSA-N 315.370 -0.663 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C(C#N)=C\c1cnn(C)c1 843970972 NWGLGXVLRHQSJX-HCCWWQKBSA-N 303.322 -0.101 50 20 DBGD Cc1nonc1CC(=O)NNC(=O)CNC(=O)c1cccs1 845379214 JBCJUYVODJKDLE-UHFFFAOYSA-N 323.334 -0.441 50 20 DBGD CC1=C(C(=O)NNC(=O)CC2CC2)[C@@H](C)n2nnnc2N1C 848143979 HRBGENRQQYDFII-MRVPVSSYSA-N 305.342 -0.095 50 20 DBGD CCC[C@H](C(=O)NNC(=O)c1ccncc1)S(N)(=O)=O 854118531 JRAFKBQOUFIRPM-SECBINFHSA-N 300.340 -0.700 50 20 DBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CC(=O)N2)cc1 854221099 GOUSODCQTHKBLP-SKDRFNHKSA-N 321.333 -0.112 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c[nH]c2nccc-2c1 856744238 KQJGJTQWCRCGGY-VIFPVBQESA-N 322.346 -0.290 50 20 DBGD CCC(C#N)(CC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 858173940 KDNCQDFUZIQJHC-VIFPVBQESA-N 301.368 -0.102 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2OCCc3ccccc32)N1 862457801 RABBPHKVVHHDJB-DGCLKSJQSA-N 303.318 -0.274 50 20 DBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462347 WDBKUFKYVIXAQF-IUCAKERBSA-N 312.370 -0.647 50 20 DBGD CNS(=O)(=O)CCCNC(=O)/C(C#N)=C\c1cnn(C)c1 863430276 WDKPXZZOQKWPLZ-WDZFZDKYSA-N 311.367 -0.617 50 20 DBGD CN1CCC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1 896995678 OKNLRYJGBUFDKV-LLVKDONJSA-N 306.370 -0.150 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 1252438404 OHCVYFUYUALAGF-GFCCVEGCSA-N 320.349 -0.236 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)cc1 1253804571 BTXUYOJTBRHJQU-CQSZACIVSA-N 318.377 -0.154 50 20 DBGD N#CCc1ccccc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261834350 HJXORWKXTHNCSG-JTQLQIEISA-N 322.346 -0.659 50 20 DBGD Cc1cc2ncc(C(=O)NNC(=O)C(=O)NC3CC3)c(C)n2n1 1317820656 DWIDEAHUWJLGTD-UHFFFAOYSA-N 316.321 -0.614 50 20 DBGD O=C(NNC(=O)[C@H]1CCn2cncc2C1)C(=O)N1CCCC1 1320056979 HIBDCWJDTUKUKB-JTQLQIEISA-N 305.338 -0.785 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(-c2nnc(C)n2C)c1 1320510791 PMWPJLHAUILMSW-UHFFFAOYSA-N 316.321 -0.104 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CN(C)CCO1 1324115253 UXZRTPIMHVEUGM-GXSJLCMTSA-N 310.358 -0.917 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccnn1-c1cc(C)ccn1 1324594103 RVZKYQWTCKUNMG-UHFFFAOYSA-N 302.294 -0.318 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)COC)cc1 1337961454 SGJYYAISWQACRQ-UHFFFAOYSA-N 322.321 -0.233 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)NCc1ccco1 1520831210 YSFPVXJPJYXNOK-PWSUYJOCSA-N 307.354 -0.502 50 20 DBGD C=CCNC(=S)NNC(=O)c1cn([C@@H]2CCCNC2)nn1 1574942851 HEFVAUWNZQUQRQ-SECBINFHSA-N 309.399 -0.503 50 20 DBGD Cc1nnnn1-c1ccc(C(=O)NNC(=O)[C@@H]2CCN2)cc1 1579915252 JNCVVFPHCMPGJY-NSHDSACASA-N 301.310 -0.906 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)C(C)(C)C(=O)O)C[C@@H](C)O1 1589394896 CTPGOVDOQVMICV-NXEZZACHSA-N 315.370 -0.256 50 20 DBGD O=C(O)CCc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1602042767 YHSBVRSJMANKMS-UHFFFAOYSA-N 323.305 -0.828 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(CC#N)CC(=O)O 1610530373 AMUZEZPFHGJPTG-UHFFFAOYSA-N 318.333 -0.405 50 20 DBGD CN(C)C(=O)CN1CCN(S(=O)(=O)CCCCl)CC1 37842468 BIQKJFXFKRUHCW-UHFFFAOYSA-N 311.835 -0.349 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN2CCOCC2)n1 42951279 KUORBGRQZRHFIN-UHFFFAOYSA-N 324.385 -0.837 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)NCCc2cccs2)C1 81296408 DKEGLZWJJRXGIT-NSHDSACASA-N 312.395 -0.048 50 20 DBGD O=C(CN1CCn2cnnc2C1)NNC(=O)c1ccc(F)cc1 105878116 STLSYVRABDNWEU-UHFFFAOYSA-N 318.312 -0.306 50 20 DBGD COC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCC1 272822363 FKSWVTFNZPPUIR-UHFFFAOYSA-N 306.322 -0.472 50 20 DBGD O=C(CN1CC(=O)N(C2CC2)C1)NNC(=O)c1ccc(F)cc1 279065604 FRBUZXPULPPVAW-UHFFFAOYSA-N 320.324 -0.149 50 20 DBGD CC[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)C(=O)OC 283250980 LJVGGZYWHSXONT-JTQLQIEISA-N 323.353 -0.045 50 20 DBGD O=C(NCCC(=O)N1CCOCC1)NNc1ncncc1F 292900010 FEODKJAMUHAYJL-UHFFFAOYSA-N 312.305 -0.509 50 20 DBGD Cn1cnn(CCC(=O)NNc2nnc(C3CC3)s2)c1=O 293413831 GILMVAZXTBTYOB-UHFFFAOYSA-N 309.355 -0.156 50 20 DBGD CC(=O)NNC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 298289313 CYNACCLYTWMMSB-UHFFFAOYSA-N 324.362 -0.327 50 20 DBGD COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)N(C)C 299461156 XIOAMBZMYOLOIY-UHFFFAOYSA-N 317.323 -0.142 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 299490174 NHFAKADAGUXHMO-UHFFFAOYSA-N 319.317 -0.143 50 20 DBGD CCOC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 490636048 NJNHGCHEDOLTIU-OINDSLJFSA-N 307.306 -0.429 50 20 DBGD COCCONC(=O)NNC(=O)CNC(=O)OC(C)(C)C 496009256 YHFVCCDTGICZQW-UHFFFAOYSA-N 306.319 -0.581 50 20 DBGD C[C@H]1CC[S@@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584983057 OUXHEIAXOOZPKY-JLTPVHFHSA-N 313.159 -0.511 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cnnc2ccccc12 733809815 IEEFCDXIRXFGQP-UHFFFAOYSA-N 316.321 -0.675 50 20 DBGD CCCCOCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 735652735 RHVVIODANQFGPX-SECBINFHSA-N 307.372 -0.679 50 20 DBGD COCCO[C@H](C)C(=O)NN[C@H](C(N)=O)c1ccc(C#N)cc1 748265460 GEQMDRWXWXJKNC-MFKMUULPSA-N 320.349 -0.243 50 20 DBGD Cn1cc(/C=C/C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 751205228 ZWEZHTWPKGHQCF-SNAWJCMRSA-N 317.305 -0.396 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H](C)NC(C)=O)nc1C 778422145 KETUILBSLLSHQK-MRVPVSSYSA-N 309.326 -0.071 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O 790062860 BIVPLCAYDZBMMU-MRVPVSSYSA-N 310.372 -0.644 50 20 DBGD CCn1nc(C)c(C(=O)NNC(=O)Cn2nc(C)cc2C)n1 814756320 LXRGHTMICHQCQT-UHFFFAOYSA-N 305.342 -0.119 50 20 DBGD Cn1nncc1NNC(=O)CN1CCc2ccccc2C1=O 816771211 CHDOKNZFQVYYFG-UHFFFAOYSA-N 300.322 -0.043 50 20 DBGD Cc1cc(C(=O)NN(C)C2CC2)nc2c1c(=O)n(C)c(=O)n2C 819646851 HJINOPDQNRPIER-UHFFFAOYSA-N 317.349 -0.320 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)N1CCSCC1 843660931 LUNABZPQZUJCNM-OUAUKWLOSA-N 301.412 -0.004 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(n2cnnn2)CC1 849996829 RCNUDLWRYVVOAT-VIFPVBQESA-N 324.341 -0.713 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)c1cccc(F)n1 852656471 YZKVTFGVYQXAKT-UHFFFAOYSA-N 313.289 -0.137 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@]2(C3CCCC3)CCNC2=O)N1 862463851 NPHBCOOPBIGKCL-BONVTDFDSA-N 322.365 -0.891 50 20 DBGD COc1ccc(C=O)c(OCC(=O)N2CC[C@H](B(O)O)C2)c1 874970300 UDFQBZWNJPGYDX-NSHDSACASA-N 307.111 -0.038 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NN(C)C[C@H](C)O)c1 910160644 MQIZPEZVYCMHLU-NSHDSACASA-N 309.366 -0.302 50 20 DBGD C[C@H](O)CN(C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 910172628 DMWCCJRUFSQKLU-QWRGUYRKSA-N 319.365 -0.331 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 1251918592 DRVHSHVABDUDIE-VXGBXAGGSA-N 322.369 -0.773 50 20 DBGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CCO 1254905245 MSMDGONJQROJCZ-UHFFFAOYSA-N 323.280 -0.694 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)NCc1ccco1 1317994083 MLKPMOUZQXAKOF-UHFFFAOYSA-N 323.309 -0.558 50 20 DBGD Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 1319697843 IUFZVRLLFUNNJH-SSDOTTSWSA-N 307.354 -0.054 50 20 DBGD Cc1c([C@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)cnn1C 1322197355 PDAPHBWZQLOPRJ-VIFPVBQESA-N 322.369 -0.258 50 20 DBGD CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NNC(=O)CCO 1324885054 ZENBCYMIKOZNBK-UHFFFAOYSA-N 321.337 -0.417 50 20 DBGD CC(C)(C)n1nnc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1328001003 QGOKFVSIRQGXBG-QMMMGPOBSA-N 314.371 -0.687 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)NCc1ccco1 1328599012 YPQFIOGOSCXLEF-UHFFFAOYSA-N 309.282 -0.948 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)Cn1cccn1 1328771309 MEDWSVUAMOPVTQ-VHSXEESVSA-N 308.342 -0.872 50 20 DBGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329077473 FCFIOKHFEYVNCW-PELKAZGASA-N 321.381 -0.358 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)COC[C@H]3CCCO3)nc21 1334109373 JTVOMMODICKOGL-MRVPVSSYSA-N 322.325 -0.292 50 20 DBGD CN(C)N(C(=O)[C@@H]1C[C@@]12CCCNC2)[C@@H]1CCS(=O)(=O)C1 1578420385 IMYKOPYSRVVMCE-MBNYWOFBSA-N 315.439 -0.132 50 20 DBGD CC(C)(C)OC(=O)N1CC(=NNC(=O)CO)C[C@H](C(=O)O)C1 1603378761 DBUAJOZTSPDTRG-QMMMGPOBSA-N 315.326 -0.208 50 20 DBGD CC[C@H](CO)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1604041046 WJCDGMWLYLVKCR-MRVPVSSYSA-N 304.310 -0.354 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)COc1cccc(C=O)c1 264857095 DMJKFUXXWAQCGV-UHFFFAOYSA-N 307.306 -0.450 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1 270515413 POCRDGYAVRIZOU-VIFPVBQESA-N 320.305 -0.171 50 20 DBGD CC1=C(C(=O)NNc2ncncc2F)Cn2nnnc2N1C 294204758 XZKRLXFVXSMVHQ-UHFFFAOYSA-N 305.277 -0.531 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CNC(=O)NCc2ccco2)O1 294293664 QJYYCDNCYGDKJG-ONGXEEELSA-N 324.337 -0.206 50 20 DBGD CCOCCCNC(=O)/C(C#N)=C\c1cn(CC(=O)O)nn1 490725697 JKQLJIJVCATQAR-POHAHGRESA-N 307.310 -0.188 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 492456006 KJTQCNGMDPEPOB-UHFFFAOYSA-N 323.352 -0.576 50 20 DBGD C[C@@H]1CCCCN1C(=O)CCNC(=O)c1cccc(B(O)O)c1 584939426 VYTPZIMWZDUMBX-GFCCVEGCSA-N 318.182 -0.113 50 20 DBGD CC(C)C(=O)NCCN(C)C(=O)c1cc(B(O)O)ccc1F 584969350 LISBNVSTLVZCOI-UHFFFAOYSA-N 310.134 -0.650 50 20 DBGD Cn1cccc1C(=O)NCCNCc1ccccc1B(O)O 585015239 UEDJJAAPBJJYCC-UHFFFAOYSA-N 301.155 -0.776 50 20 DBGD C[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@H](B(O)O)C1 585073970 GXJUDVRUALEEQN-RYUDHWBXSA-N 320.154 -0.355 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 728434451 LUEQLRQSUKULFF-SSDOTTSWSA-N 317.323 -0.546 50 20 DBGD O=C(NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cnn[nH]1 729456985 RLYFVORRAIFYKK-UHFFFAOYSA-N 320.221 -0.484 50 20 DBGD O=C(C[C@@H]1CCOC1)NNC(=O)c1ccc(-n2cnnn2)cc1 739681304 VWDILINPRABYTF-JTQLQIEISA-N 316.321 -0.150 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)Cn1cc(CO)nn1 763691763 XWHCWHIVXSQNMT-UHFFFAOYSA-N 303.322 -0.531 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 764318569 BOWABNZLIVTVRP-UHFFFAOYSA-N 323.353 -0.097 50 20 DBGD COc1nccnc1NNC(=O)CCCN1C(=O)CCC1=O 764460954 TXBLYXVCSZDEDX-UHFFFAOYSA-N 307.310 -0.143 50 20 DBGD O=C(CN1CC[C@@](F)(CO)C1)NNC(=O)c1cccs1 802014464 OTVWCKUELQPRHP-LBPRGKRZSA-N 301.343 -0.085 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)Cc2cncn2C)C[C@@H](C)O1 806340673 UHJHIBWGQJADTH-TXEJJXNPSA-N 323.397 -0.391 50 20 DBGD Cn1ncc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c1N 814755763 FGTMBNWFCKFZRY-UHFFFAOYSA-N 311.309 -0.258 50 20 DBGD CCOC(=O)COCCNC(=O)NNC(=O)[C@@H]1CCCCO1 836576741 GWDNXFKJRJBQMB-JTQLQIEISA-N 317.342 -0.534 50 20 DBGD COC(=O)c1cccc(NNC(=O)C2(S(N)(=O)=O)CC2)c1 845928542 NUTNQSKQIHBSMJ-UHFFFAOYSA-N 313.335 -0.263 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 854181049 RMCVJEGNUZCUMK-ZWNOBZJWSA-N 319.317 -0.405 50 20 DBGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458518 FTKZUYVIIBYJDN-SECBINFHSA-N 322.277 -0.357 50 20 DBGD COC(=O)[C@H](CC(F)F)NC(=O)c1cccc(B(O)O)c1 863877288 CUDSIXWVISQULV-VIFPVBQESA-N 301.054 -0.707 50 20 DBGD COC(=O)[C@@H]1CCCCCN1C(=O)c1cccc(B(O)O)c1 863878768 QSGNWIUORAKPAG-ZDUSSCGKSA-N 305.139 -0.076 50 20 DBGD CN(C)C(=O)O[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 863883795 NOPODAOYTWVZHG-LBPRGKRZSA-N 306.127 -0.721 50 20 DBGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1cnn(C)c1 920828212 WWDCIQUPUVAYOU-UHFFFAOYSA-N 323.338 -0.351 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1 1116004055 YPRYJESQXWSWKB-UHFFFAOYSA-N 319.365 -0.034 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1ccncc1)N1C(=O)CCC1=O 1319321450 RDPCAPIANGXFKB-VIFPVBQESA-N 304.306 -0.691 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 1320379539 VVNMEDOYRARYRS-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD O=C(NCC1CCS(=O)(=O)CC1)NNC(=O)C1CCC1 1323020747 OUIJWJQIILSTOY-UHFFFAOYSA-N 303.384 -0.058 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1snnc1C 1324087521 IRBLTTXHIRQCNR-MRVPVSSYSA-N 317.371 -0.272 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)CO)n(-c2ccccc2)n1 1324978838 ZUMDEMQTAFHZKX-UHFFFAOYSA-N 318.289 -0.588 50 20 DBGD Cc1nonc1CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1327251075 LFEYPADYYZSDIF-UHFFFAOYSA-N 304.310 -0.016 50 20 DBGD COC1([C@@H](C)NC(=O)NNC(=O)c2cn[nH]c2)CCOCC1 1329175568 WOCICMYBWZIJLD-SECBINFHSA-N 311.342 -0.062 50 20 DBGD O=C1C[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)CCN1 1341111286 JOJRQDCRQGZENX-JTQLQIEISA-N 320.353 -0.718 50 20 DBGD O=C(NNc1ncc(Br)cn1)C(=O)NC1CC1 1349824526 IKMXCKULYDPNOW-UHFFFAOYSA-N 300.116 -0.039 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)CCCCCN 1579344800 YPPJVMOWBAEWEG-JTQLQIEISA-N 320.415 -0.923 50 20 DBGD O=C(CC[C@H]1CCNC1)NNC(=O)[C@@H]1CCN1C1CCOCC1 1580528315 MQCYNHBLHZMOJG-JSGCOSHPSA-N 324.425 -0.223 50 20 DBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1588808617 VLCPAEIJFMRJGS-LURJTMIESA-N 306.282 -0.578 50 20 DBGD C[C@H](NC(=O)[C@H](C)NC(=O)NNC(=O)CC(C)(C)C)C(=O)O 1607458646 ONXVZNCDSJNHIQ-YUMQZZPRSA-N 316.358 -0.269 50 20 DBGD O=C(c1cccnn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847564102 STXWQLFGGVKOHL-SRVKXCTJSA-N 324.768 -0.108 50 20 DBGD Cc1cc(C(=O)NNC(=O)CC(=O)NCC(F)(F)F)[nH]n1 272399676 MPGUMXZXUFOKQK-UHFFFAOYSA-N 307.232 -0.452 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1N(C)C 274093372 UUUFGNUSPVEIFT-UHFFFAOYSA-N 321.381 -0.291 50 20 DBGD COC(=O)N(C)NC(=O)CCCC(=O)NN(C)C(=O)OC 286362737 NDEMYNAGOLTXND-UHFFFAOYSA-N 304.303 -0.385 50 20 DBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccccc1O 367146810 CMNQOPPJOMDKSC-GFCCVEGCSA-N 304.350 -0.457 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)cc1 496669540 YACIFFARZYANLW-WCBMZHEXSA-N 320.305 -0.422 50 20 DBGD C[C@@H](O)C[C@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584973497 AGDQBVXOCCZRFY-KOLCDFICSA-N 311.118 -0.883 50 20 DBGD COC[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H](C)O1 584979480 VGDDGZUJVQMPFK-ONGXEEELSA-N 311.118 -0.619 50 20 DBGD C[C@@H]1CN(CCNC(=O)c2cccc(B(O)O)c2)[C@H](C)CO1 585005624 CYFJIGQRHQJAQC-VXGBXAGGSA-N 306.171 -0.795 50 20 DBGD O=C(NCB(O)O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 585060963 MLCKNUFGXWIKEQ-LBPRGKRZSA-N 322.145 -0.265 50 20 DBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cnn(C)c2)C1 739672699 ZSXBYRSKVVXPLI-NXEZZACHSA-N 315.399 -0.123 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1N 758597676 MOKSNPBSVDTYGY-UHFFFAOYSA-N 312.330 -0.712 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCO[C@H](C)C1 770351827 LJSMTEYANZHINJ-GMTAPVOTSA-N 303.359 -0.064 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNc1cnccn1)n1cccn1 775278067 XJEZQELANBPCRH-JTQLQIEISA-N 303.326 -0.164 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1(OC)CCC1 780862188 WWFPHTLHIKHEST-JTQLQIEISA-N 303.359 -0.063 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)Cc2ccncc2)on1 781429776 RDBSNRITPRILDT-UHFFFAOYSA-N 304.262 -0.140 50 20 DBGD C[C@H]1CN(C)C(=O)CN1CC(=O)NNC(=O)c1ccc(F)cc1 839574057 JJZZZJURBQJSBH-JTQLQIEISA-N 322.340 -0.251 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)CC2 845103186 LDPOBZCGBBBJMX-JTQLQIEISA-N 307.354 -0.574 50 20 DBGD CO[C@H](C)CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 852534455 APSTZORTSVPAKP-MRVPVSSYSA-N 304.347 -0.124 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C\c2cncc(O)c2)CC1 854379045 MPKVOFGLFTXNDM-IHWYPQMZSA-N 305.338 -0.211 50 20 DBGD COCCCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 859252423 OGMATFZXKLUEMF-UHFFFAOYSA-N 306.326 -0.354 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)[C@H]2CCCCO2)c1 861852420 HECXBJMROFWZTM-SNVBAGLBSA-N 310.310 -0.614 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNc1ccccc1S(N)(=O)=O 863910601 WZHGYOKIIBWQIL-NSHDSACASA-N 314.367 -0.452 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc3ncccn3n2)CC1 868122232 VWPSKOWUAFJGMX-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)c1cnn(C)c1 1116087048 GUZSZIIABRRIEU-SSDOTTSWSA-N 309.355 -0.510 50 20 DBGD Cn1nnc2c(C(=O)NNc3ncnc4[nH]cnc34)ccnc21 1116932432 PRMMKOHCYPIVSP-UHFFFAOYSA-N 310.281 -0.214 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccn(C)n2)c(O)c1 1254896655 HGNRNSVEZPNUTF-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD O=C(/C=C\c1cccnc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319301169 CWTBGAJEECIOJP-BYCRGOAPSA-N 309.347 -0.323 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 1321139913 BPULAOVLBKWBSH-GFCCVEGCSA-N 307.306 -0.040 50 20 DBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNC(C)=O 1321229605 RCEDGARYCLCPSY-UHFFFAOYSA-N 315.351 -0.322 50 20 DBGD O=C(COCC(=O)NNC(=O)C1CC1)NCc1cccnc1 1321634772 NVJBRYWZSRPDCA-UHFFFAOYSA-N 306.322 -0.728 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N(CCN)CCO)C[C@@H]1Br 1334720351 FSUUAJUFHQKEPJ-KWQFWETISA-N 322.203 -0.944 50 20 DBGD C[C@@H](NNC(=O)C1CCN(S(N)(=O)=O)CC1)C(F)(F)F 1335314305 PVIPGCHKOAYUQI-ZCFIWIBFSA-N 318.321 -0.527 50 20 DBGD COCCn1cc(C(=O)NNC(=S)NC(C)(C)C)nn1 1339055740 ZKMFGNYIZJUOSZ-UHFFFAOYSA-N 300.388 -0.168 50 20 DBGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1339375180 DKMCFNSOKNTDEF-GULOHRGCSA-N 312.347 -0.307 50 20 DBGD Nc1cc(N2CC[C@@H](B(O)O)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] 1592759429 AOLFHOWCISNWHZ-ZCFIWIBFSA-N 319.090 -0.590 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1C(=O)O 1607733550 NTEZGYZMJGRMSH-LLVKDONJSA-N 308.290 -0.130 50 20 DBGD NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1786795340 DHSHPAXKXAFVJE-KBIXCLLPSA-N 307.753 -0.541 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN(CCO)C2CC2)c1 164815390 JIYTUMVKMGNQBD-UHFFFAOYSA-N 302.334 -0.224 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)N2CCOCC2)c1 266151491 QYSQABDWWQNPQC-UHFFFAOYSA-N 306.322 -0.267 50 20 DBGD O=C(NNC(=O)C1(O)CCCCC1)C(=O)Nc1ccccn1 268257879 KLYRKOKYFDEZMR-UHFFFAOYSA-N 306.322 -0.137 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cn(Cc2cccc(F)c2)nn1 276223199 INFYMMRYSNQYGV-UHFFFAOYSA-N 321.312 -0.003 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)n1 279777924 IHXULTLPICPUKO-UHFFFAOYSA-N 314.367 -0.521 50 20 DBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)N2CCN(C)CC2)C1 377234646 CMYZCQUBCPRHRR-AWEZNQCLSA-N 311.386 -0.767 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584968102 HQRPFDJXFKORFG-SKDRFNHKSA-N 308.118 -0.850 50 20 DBGD Cc1cc(CNCc2cccc(B(O)O)c2)nc(N(C)C)n1 585037947 OMFTVTAEXPQRMZ-UHFFFAOYSA-N 300.171 -0.179 50 20 DBGD OB(O)c1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)o1 585040594 OCDUBGOYFLHLBS-JTQLQIEISA-N 322.092 -0.688 50 20 DBGD CS(=O)(=O)C1(CNCc2ccc(B(O)O)o2)CCCC1 585040840 QLDCVQKMUDVMGQ-UHFFFAOYSA-N 301.173 -0.594 50 20 DBGD OCCCN1CCC[C@H]1CNCc1ccc(B(O)O)cc1F 585043897 VKKDLUGSDGJRIL-AWEZNQCLSA-N 310.178 -0.558 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@@H]1CCCO1 729275522 PCFKSUUTYZRKQF-IUCAKERBSA-N 307.372 -0.969 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2cn(C)c(=O)n(C)c2=O)n1 735031634 HANJCLNTBHCKSD-UHFFFAOYSA-N 304.310 -0.752 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)N2CCOCC2)CC1=O 745986255 PQRPJADFOZPQSJ-NSHDSACASA-N 312.370 -0.436 50 20 DBGD O=C(C#Cc1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 747350242 OTBZSGWNGCSPEY-GFCCVEGCSA-N 306.343 -0.380 50 20 DBGD CN1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1=O 748664941 PNBZLXZAPNVSIB-SNVBAGLBSA-N 306.322 -0.043 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 754453328 XVRRZPDDFVOXTO-SNVBAGLBSA-N 320.349 -0.219 50 20 DBGD C[C@@H]1C[C@H]1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764818959 YDLBIYSWHKJPLK-BDAKNGLRSA-N 318.337 -0.808 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1COCCO1 771990346 YKTGRGFPBOTURU-UWVGGRQHSA-N 302.327 -0.473 50 20 DBGD CC(=NNC(=O)C(=O)NN=C(C)c1cn[nH]c1)c1cn[nH]c1 794845904 WYFMRONUNRWHPE-UHFFFAOYSA-N 302.298 -0.487 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CN(C)CCO2)cc1 801110155 QFNIPVDKGDOLHQ-LBPRGKRZSA-N 320.349 -0.588 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](C(N)=O)c1ccccc1 825659928 CIWPORUAFDMWRP-MVWJERBFSA-N 320.349 -0.032 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnn(CC(=O)O)c1 828700947 VDSBTRCFMIXTIK-SSDOTTSWSA-N 304.328 -0.677 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)c2cc(C)[nH]n2)CC1 831417783 FOJBXYQIHBIODC-UHFFFAOYSA-N 309.326 -0.042 50 20 DBGD COCCONC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 852286942 AWRRNKOXMVNPPR-UHFFFAOYSA-N 318.374 -0.163 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N2)cc1C 854261024 RZKMCOOUTMZOKR-JTQLQIEISA-N 304.306 -0.722 50 20 DBGD COCC1CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858542436 VNGQMXKIOKPRPC-ILDUYXDCSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCO[C@H](c3ccco3)C2)N1 858697033 ONMRASZKLMZBDG-ONGXEEELSA-N 322.321 -0.328 50 20 DBGD O=C(CCCOc1cccnc1)NNC(=O)[C@@H]1CCC(=O)N1 862455689 INRWDRXHCGWPHL-NSHDSACASA-N 306.322 -0.333 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(N2CCOC2=O)CC1 863884873 AZUVOGXULVXUER-UHFFFAOYSA-N 318.138 -0.577 50 20 DBGD CC[C@@](COC)(NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863886393 YJIKNJWUONKPKC-AWEZNQCLSA-N 309.127 -0.936 50 20 DBGD C[C@@]1(C(=O)NCCN2CCNC(=O)C2)C[C@@H]1Br 907286394 QFVZUHGADMKASG-GZMMTYOYSA-N 304.188 -0.292 50 20 DBGD CNC(=O)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 912808636 IBYGUCMZBKZYDF-LBPRGKRZSA-N 323.374 -0.069 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nnc(C(C)(C)C)s1 1116258485 RJUWTMWUSLCGBM-UHFFFAOYSA-N 315.355 -0.161 50 20 DBGD COCCn1nc(C(=O)NNC(=O)c2ccncc2)ccc1=O 1248453105 URXNIGVINDEFTR-UHFFFAOYSA-N 317.305 -0.641 50 20 DBGD CCOCCO[C@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1253273173 QUFJEKOGBSLBQS-MRVPVSSYSA-N 324.341 -0.046 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)C(=O)NC1CC1 1322201865 ASJBPCZYVKVTBC-SNVBAGLBSA-N 313.427 -0.755 50 20 DBGD CC1(NC(=S)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1327625633 BQJTXCITXKRHJT-ZETCQYMHSA-N 306.413 -0.596 50 20 DBGD CCNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 1330307956 VMSAICFLRPMNHY-UHFFFAOYSA-N 305.294 -0.668 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)C2CCC2)CCOCC1 1347667538 WWKILWPUTZNAGT-UHFFFAOYSA-N 304.368 -0.472 50 20 DBGD CCN[C@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1577811243 YLSSMSGIXBGGPP-SECBINFHSA-N 317.349 -0.308 50 20 DBGD C[C@H](N)CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1579477998 KDZWKKKASGJHHR-QMMMGPOBSA-N 303.322 -0.568 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@]3(CCNC3)C2)cn1 1579959682 UUXDDUHIXUIQJJ-OEWWAVFSSA-N 301.350 -0.082 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 1599249506 XPPBRRMLTPBGJK-AEJSXWLSSA-N 317.342 -0.378 50 20 DBGD COc1cc(C(=O)O)ccc1NNC(=O)CN1CCOCC1=O 1599377312 RYUUMVABPILXBS-UHFFFAOYSA-N 323.305 -0.305 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 1601635917 QBKAYCJGQHBDCC-UHFFFAOYSA-N 319.273 -0.624 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cn(C)nn2)o1 1603412393 NWFBVKPYYOJJCA-UHFFFAOYSA-N 318.301 -0.137 50 20 DBGD COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795202397 TVXCEBLNVDVXGK-OEIWMXHLSA-N 308.737 -0.243 50 20 DBGD COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362453 BAAZOISLBUNWPK-OEIWMXHLSA-N 308.737 -0.243 50 20 DBGD O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccn1 28812863 LFOPWOPYMHTSGR-UHFFFAOYSA-N 303.234 -0.247 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1ccc(C#N)cc1 61464244 WEIPAUHNGKEXLA-UHFFFAOYSA-N 310.335 -0.741 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(CCO)CC1 111192389 OWJVXZMWNZGXOO-LBPRGKRZSA-N 300.403 -0.822 50 20 DBGD CSCCNC(=S)NNC(=O)Cn1ccccc1=O 269826743 KMTXCHNTNGBLNW-UHFFFAOYSA-N 300.409 -0.293 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccnc(O[C@H]2CCOC2)c1 273532483 VJCOTYLOKIVALH-NSHDSACASA-N 308.338 -0.428 50 20 DBGD Cc1cc(F)cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 273543243 XMHQYXQPIJUQIA-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1ccc(OC)cn1 275895905 SLSUVACUPGLJET-UHFFFAOYSA-N 303.344 -0.735 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1cc2ccccc2[nH]1 276187179 DJGYPSVRQUOQJC-UHFFFAOYSA-N 318.333 -0.184 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 276192779 DXPPPQRAMHHWAB-SECBINFHSA-N 309.322 -0.454 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 280606739 VDAPLMOWINPBIC-QWRGUYRKSA-N 307.306 -0.511 50 20 DBGD O=C(NC1CCN(C(=O)C2CC2)CC1)c1cccc(B(O)O)c1 584928990 OZKZDRCGDQXMBI-UHFFFAOYSA-N 316.166 -0.503 50 20 DBGD O=S(=O)(Cc1ccccc1Br)NCB(O)O 585059764 YXHVFSIUFVIULC-UHFFFAOYSA-N 307.962 -0.120 50 20 DBGD O=C(CN1CCN(c2ccccn2)CC1)N1CC[C@@H](B(O)O)C1 585070141 UBRFGCRTZPYDTR-CYBMUJFWSA-N 318.186 -0.721 50 20 DBGD O=C(CCCCN1CCOCC1)NNC(=O)N1CCOCC1 732063722 CHAIVCJWBKPLPE-UHFFFAOYSA-N 314.386 -0.438 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H](C)CS(C)(=O)=O 732667615 UDXNTEZPCNJJNM-GHMZBOCLSA-N 321.443 -0.067 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)COc1ccccc1C#N 757760692 GXSPKOXIWMNFLN-UHFFFAOYSA-N 315.293 -0.660 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cs1 758045796 PJEWKNODEXRNJX-ZCFIWIBFSA-N 320.396 -0.921 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CCC(=O)NC2)nc1C 778422710 RRUNSXOQCKPSOI-VIFPVBQESA-N 321.337 -0.069 50 20 DBGD Cc1ccc(N2CCNC2=O)cc1NC(=O)NNC(=O)CO 786294120 OFCKMNJZJKVCBI-UHFFFAOYSA-N 307.310 -0.330 50 20 DBGD C=CCNC(=S)NNC(=O)Cn1nc2ccccn2c1=O 798306388 YZLPHYMWRNNBOL-UHFFFAOYSA-N 306.351 -0.823 50 20 DBGD C[C@H]1CCNC(=O)[C@H]1NCC(=O)NNC(=O)c1cccs1 799346215 ZDYPYCOCIQFFHV-KWQFWETISA-N 310.379 -0.377 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCOCC2)cc1 801110890 JGGMLDNKMRQMAH-UHFFFAOYSA-N 320.349 -0.587 50 20 DBGD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCC(=O)NNC(=O)C2CC2)C1 808783999 WJPGGCFAGKHIKL-BFHYXJOUSA-N 322.409 -0.220 50 20 DBGD CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)C(=O)NC(C)C 817349069 XVWXGXOMWLRXCQ-JTQLQIEISA-N 323.415 -0.477 50 20 DBGD C[C@@H](CO)N(C)NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 823951640 LZVYRVHKNTXMRD-JTQLQIEISA-N 317.386 -0.034 50 20 DBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1 824177133 LRWVYQALBKEIJO-XYPYZODXSA-N 306.322 -0.094 50 20 DBGD CCNC(=O)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 825465937 SZYLZXNSUZZQDK-UHFFFAOYSA-N 322.329 -0.053 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1COCCN1CC(F)F 833241595 CONPQKHLSBXLAX-VHSXEESVSA-N 321.324 -0.331 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 843649882 YBWVFGOJVGUPRB-WPRPVWTQSA-N 306.322 -0.373 50 20 DBGD Cc1nonc1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 845921007 JIRIVHYAAVOCOK-UHFFFAOYSA-N 313.314 -0.407 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H](O)c2ccccc2)N1 858695369 WWEBYOFSGSOOMO-WDEREUQCSA-N 306.322 -0.671 50 20 DBGD COCCC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858701181 IVLNOCLACAZLLD-NSHDSACASA-N 312.370 -0.246 50 20 DBGD CC(C)c1nccnc1NNC(=O)CN1CC(=O)N(C)C1=O 861359367 DWAHOZLLCVLYDS-UHFFFAOYSA-N 306.326 -0.063 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1)CCCC2 862457553 LJDMPDXZIAFKBI-JTQLQIEISA-N 305.338 -0.662 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc([N+](=O)[O-])cnc2N)O1 862891300 ZWDBANKFESIUGE-HZGVNTEJSA-N 309.282 -0.100 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc(C2CC2)o1 863090723 WYFCWQATHCHUIU-SSDOTTSWSA-N 300.340 -0.060 50 20 DBGD CC1([C@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)C2)OCCO1 863879638 XAJHBADQYYUFGL-ZDUSSCGKSA-N 319.166 -0.018 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 910170692 MWLDSZZYWIMWEP-VXGBXAGGSA-N 306.366 -0.226 50 20 DBGD NC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(F)cc2)cn1 1116544608 VANBKDMXHAVALO-UHFFFAOYSA-N 320.284 -0.411 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)c1cnn(C)c1 1318921465 VQSCUDHPDOWEQL-SNVBAGLBSA-N 310.358 -0.915 50 20 DBGD Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)C(=O)NC(C)C 1323093638 IOZGXUAONPPQQX-UHFFFAOYSA-N 318.337 -0.368 50 20 DBGD Cc1nc(Cn2cc(C(=O)NNC(=O)C(C)(C)C)nn2)no1 1326604440 QCPYYIOMBRNFRV-UHFFFAOYSA-N 307.314 -0.175 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ncccn2)n1 1331607440 DJIDEPUPIURXOB-UHFFFAOYSA-N 303.326 -0.179 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)C2CCOCC2)n1 1332328709 BLQGHANJSZUPQP-UHFFFAOYSA-N 309.370 -0.368 50 20 DBGD Cn1ccnc1CNC(=O)NNC(=O)CNC(=O)c1ccco1 1338541838 BBGFVVGXEBKSBY-UHFFFAOYSA-N 320.309 -0.727 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)nc1Cl 1342708716 HZHCRCMMPPHDSD-UHFFFAOYSA-N 312.713 -0.217 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@H]2COCCN2)cn1 1574034023 QZHLYJFLUOAFAB-SECBINFHSA-N 311.367 -0.604 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CO1 1574685861 GPLYUSWGQHRHHZ-AXFHLTTASA-N 314.338 -0.027 50 20 DBGD CSCCNC(=S)NNC(=O)C1([C@H](C)N)CCOCC1 1579374159 IIMZRUZEGCHGCM-VIFPVBQESA-N 320.484 -0.011 50 20 DBGD NCCNC(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O 1580311084 FQZZOGSQIVLVSZ-LBPRGKRZSA-N 319.365 -0.676 50 20 DBGD O=C1N[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CO1 1582788348 IZPPNFWENQIIOT-YFKPBYRVSA-N 324.688 -0.533 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)n(C)c2)nn1 1608098837 SGLNEZHHNCMCGJ-UHFFFAOYSA-N 307.270 -0.682 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 49152407 HGGWUXZLTMQNAS-UHFFFAOYSA-N 321.380 -0.398 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)CN2CCN(C)CC2)c1 109927404 WZLBSFDRNYIQID-UHFFFAOYSA-N 320.393 -0.231 50 20 DBGD CN(C)CC(=O)NNC(=O)Cc1cc(F)cc2c1OCOC2 265036350 HDZBLVQMQSITGC-UHFFFAOYSA-N 311.313 -0.056 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)ccn1 293657074 IJRXWMHRNNEOFS-WPRPVWTQSA-N 322.321 -0.256 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNc1ncccn1 298288053 OKRNSQWUBNKKSF-QSFUFRPTSA-N 313.317 -0.273 50 20 DBGD O=C1C[C@H](C(=O)Nc2cccc(B(O)O)c2)[C@H]2CCCC[C@H]2N1 584912959 YGBBMWJFNDKIKR-HZSPNIEDSA-N 316.166 0.000 50 20 DBGD C[C@H](OCC(=O)Nc1cccc(B(O)O)c1)c1nccn1C 584913901 LQTHPDVABZALIJ-JTQLQIEISA-N 303.127 -0.184 50 20 DBGD C[C@H]1CCCN(CCNC(=O)c2cc(B(O)O)ccc2F)C1 584929165 JPBWBAHTDNCOFS-NSHDSACASA-N 308.162 -0.033 50 20 DBGD N#CCCN(C[C@@H]1CCOC1)C(=O)c1cccc(B(O)O)c1 584943733 VQNXROTVRZXBGO-LBPRGKRZSA-N 302.139 -0.241 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCS[C@H]2COCC[C@H]21 584965818 UCTVDILNWACEJK-OLZOCXBDSA-N 307.180 -0.287 50 20 DBGD CN1CC[C@@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)[C@H]2C1 584972220 QHDWUZPIFVMNGZ-YGRLFVJLSA-N 306.146 -0.328 50 20 DBGD CC(C)(C)n1ncnc1CNC(=O)c1ccc(B(O)O)c(F)c1 584986067 AHUIMEMYBVJXHE-UHFFFAOYSA-N 320.133 -0.218 50 20 DBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](O)C(F)F 584996183 ZVHRYVLJGWXYCT-UWVGGRQHSA-N 305.061 -0.360 50 20 DBGD Cc1c(NCc2ccc(B(O)O)o2)cccc1C(=O)NCCO 585012198 OXMZZXOCVBWFSL-UHFFFAOYSA-N 318.138 -0.398 50 20 DBGD CC(C)(C)n1nnc(CNCc2ccc(B(O)O)cc2F)n1 585046685 XRQFFPCOMYLWEX-UHFFFAOYSA-N 307.138 -0.463 50 20 DBGD O=C(NCB(O)O)[C@H]1CCCN1c1ncnc2sccc12 585059681 WVMCTVNLUIUMQM-SECBINFHSA-N 306.156 -0.212 50 20 DBGD O=C(CSc1ccncc1)NNC(=O)CN1CCCC1=O 726717492 XUILHYJCEHBZBH-UHFFFAOYSA-N 308.363 -0.057 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 733215414 QBTNWPDZUWJWRA-MWLCHTKSSA-N 324.358 -0.255 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 733359544 JSMCJLDVJYBFNW-UHFFFAOYSA-N 305.294 -0.648 50 20 DBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCOC1 752127852 WWZDOJTWQLPEIS-SNVBAGLBSA-N 317.309 -0.605 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755279595 PCTIWQZRSHCWAG-UHFFFAOYSA-N 301.306 -0.227 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](CO)OC[C@@H]2C)cc1 766942538 DIROLYWHYTWGMT-JSGCOSHPSA-N 321.377 -0.162 50 20 DBGD Cn1c(CC(=O)NNC(=O)C(C)(C)C(N)=O)nc2ccccc21 767433319 ZATSVLJFBZVCIE-UHFFFAOYSA-N 317.349 -0.225 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(O)nc(OC)n1 772363990 CZRXTJUHOKWNNS-LURJTMIESA-N 312.282 -0.707 50 20 DBGD N#Cc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c[nH]1 778540621 VQFUBFDVRATVEL-UHFFFAOYSA-N 322.288 -0.063 50 20 DBGD CC(C)C(=O)NNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 782577084 GQETZLPQDBUNDO-UHFFFAOYSA-N 317.371 -0.264 50 20 DBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802027723 UKIZVSJNWLPFSF-AWEZNQCLSA-N 305.338 -0.085 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCc2nncn2C1 813821018 NMBYNISGKYBUOZ-VIFPVBQESA-N 301.310 -0.490 50 20 DBGD Cn1c(=NNC(=O)[C@@H]2CC(=O)NC(=O)N2)sc2ccccc21 816844582 HCEJWLXGAHBAPX-ZETCQYMHSA-N 319.346 -0.230 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN(CC(=O)O)C1CCOCC1 826135058 UJJJKYIPGBADIF-UHFFFAOYSA-N 315.370 -0.255 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)c1 841375689 KWGSBMBGFFPYEZ-RDDDGLTNSA-N 323.305 -0.038 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCN2C2CCCC2)N1 862457326 GWGQEDHYVGAQLD-NEPJUHHUSA-N 308.382 -0.181 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NN(C)C[C@@H](C)O)ccc1F 910165750 MIFIVCZJYOJFFF-MRVPVSSYSA-N 319.358 -0.309 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)cc1 910178550 YTYLDEUBTMUZSY-VIFPVBQESA-N 301.368 -0.448 50 20 DBGD CCn1nc(C)c(C(=O)NNC(=O)CN2CCCC2=O)c1C 913731004 QOPGAJGFKHGRJU-UHFFFAOYSA-N 307.354 -0.097 50 20 DBGD C[C@H](NS(=O)(=O)CBr)[C@@H]1CN(C)CCN1C 919990585 QMFIFADGYJYIGM-IUCAKERBSA-N 314.249 -0.108 50 20 DBGD CC[C@H](CN1CCOCC1)NC(=O)c1cc(B(O)O)ccc1F 928635660 NIAOSBVCVZPROB-GFCCVEGCSA-N 324.161 -0.654 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)Cn1cc(C2CC2)nn1 1116270502 WQWBHZUCXHXGJB-UHFFFAOYSA-N 300.322 -0.059 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CS(C)(=O)=O 1118789512 PFBDQGRMYOMDKW-UHFFFAOYSA-N 321.399 -0.879 50 20 DBGD O=C(NN=C1CCCS(=O)(=O)C1)N[C@@H]1CCS(=O)(=O)C1 1318371447 LOLODMHIYMXUJB-MRVPVSSYSA-N 323.396 -0.963 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C2CCOCC2)CC1 1319339265 XQOCVPHURKAAST-LBPRGKRZSA-N 312.414 -0.271 50 20 DBGD CO[C@@H](C)CCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320002445 MUOYRKJXOMGFHT-DTWKUNHWSA-N 307.372 -0.681 50 20 DBGD COc1cccc(NNC(=O)C(=O)Nc2ccc(=O)n(C)c2)n1 1320047010 NQGQOFBWDVUITF-UHFFFAOYSA-N 317.305 -0.129 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCCN2CCNC(=O)C2)n1 1320225653 LVFIFFZSJMLSRP-UHFFFAOYSA-N 307.358 -0.849 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ncnn1C 1321798519 VWTOVRHHPOVJEC-SECBINFHSA-N 303.326 -0.156 50 20 DBGD CN(C[C@@H]1CCOC1)C(=O)NNC(=O)CNC(=O)c1ccco1 1322351146 YCSBRYURZZBIGB-JTQLQIEISA-N 324.337 -0.282 50 20 DBGD Cn1cc(C(=O)CCC(=O)NNC(=O)Cc2cc[nH]n2)cn1 1324985580 SRGWRCVZATVCAA-UHFFFAOYSA-N 304.310 -0.504 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 1327278076 DSDUEHKCGFTZQO-JTQLQIEISA-N 320.353 -0.292 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)n[nH]1 1574326002 FULFXYBHPDCMIN-GXSJLCMTSA-N 324.337 -0.322 50 20 DBGD Cc1nnc(NNC(=O)Nc2cccc(-c3nn[nH]n3)n2)n1C 1592449750 WVSXFDBSKAPNJT-UHFFFAOYSA-N 315.301 -0.153 50 20 DBGD CO[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C(=O)O)C1 1599122096 LHGHZNWHEXCLSM-NEPJUHHUSA-N 307.111 -0.929 50 20 DBGD COc1ccc(NC(=S)NNC(=O)COCC(=O)O)cn1 1599596679 PHOBDAVSBDJXTA-UHFFFAOYSA-N 314.323 -0.491 50 20 DBGD O=C(NCc1ncc(Br)cn1)NNC(=O)C(=O)O 1608476275 GEPMXTUXNPEDNJ-UHFFFAOYSA-N 318.087 -0.846 50 20 DBGD CC(C)OCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1 1609710959 KFFTVIFMAMNWEP-UHFFFAOYSA-N 323.305 -0.218 50 20 DBGD CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841666601 MKPQKLLDWFFYPJ-VIFPVBQESA-N 304.774 -0.092 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2cccnn2)C1 1844436527 NWSDTEFCROOOEB-NSHDSACASA-N 324.768 -0.107 50 20 DBGD O=C(COC(=O)Cn1cccn1)NNC(=O)c1ccccc1 11116525 YSLSFDGPLXNONB-UHFFFAOYSA-N 302.290 -0.113 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 265779479 KCBUEKYVDRREJV-JTQLQIEISA-N 321.293 -0.231 50 20 DBGD C[C@@]1(O)CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 267382726 UZEWEDCEYYWYMN-CQSZACIVSA-N 322.321 -0.188 50 20 DBGD CC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccc(F)cc1 299200790 GAVNYZFFSLSUKV-GFCCVEGCSA-N 322.340 -0.203 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(CS(N)(=O)=O)cc1 495823271 BTPZXPJWJSLCDV-UHFFFAOYSA-N 301.324 -0.182 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@]1(F)CCOC1 496958546 STIFLUALLMUMAJ-LBPRGKRZSA-N 305.306 -0.213 50 20 DBGD CC(C)CN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584925319 FOFRQGYGRNWMNA-UHFFFAOYSA-N 308.162 -0.081 50 20 DBGD CC(C)(C)NC(=O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584940760 ZOFSWRUNNBWHML-UHFFFAOYSA-N 310.134 -0.460 50 20 DBGD O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc(B(O)O)ccc1F 584963540 UVCIPMUHSCNSRV-SNVBAGLBSA-N 303.102 -0.484 50 20 DBGD CN1CC=C(CCNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584966889 BPNVWIKURHQYKK-UHFFFAOYSA-N 306.146 -0.113 50 20 DBGD O=C(Nc1nc2n(n1)CCCC2)c1ccc(B(O)O)c(F)c1 584998111 AMDLKTCLBGQDJP-UHFFFAOYSA-N 304.090 -0.314 50 20 DBGD CCn1nc(C)c(CNC(=O)c2cc(B(O)O)ccc2F)n1 585000840 OJRGYSYVCMIHFP-UHFFFAOYSA-N 306.106 -0.645 50 20 DBGD C[C@H]1CO[C@H](C)CN1CCNC(=O)c1ccc(B(O)O)c(F)c1 585006158 IPGBMZMFDJQQQX-WDEREUQCSA-N 324.161 -0.656 50 20 DBGD COCCC(C)(C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 759574507 MHGGATPCSXIVRA-VIFPVBQESA-N 321.399 -0.433 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)CC[C@@H]2C1 766268660 FRNYCLQIQPKPQE-NWDGAFQWSA-N 310.398 -0.125 50 20 DBGD Cc1c[nH]nc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799520802 OSWNZVMDMUQYIR-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD CCC[C@@H](C(=O)NNc1nccc(OC)n1)S(N)(=O)=O 816859502 BCQNDQDSNPOAMK-ZETCQYMHSA-N 303.344 -0.615 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNc1ncncc1F)n1cccn1 817076974 BSWCKFBKVYFQLW-VIFPVBQESA-N 321.316 -0.025 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1cc2c(N(C)C)ncnc2n1C 823939523 LJGFEUDKGLMKGZ-VIFPVBQESA-N 306.370 -0.008 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2ncccn2)CC1=O 841354643 QUEMATCACVDKFG-SECBINFHSA-N 305.338 -0.115 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1nc2ccccn2c1=O 843640076 AZGVIFPTNYJDIS-UWVGGRQHSA-N 319.321 -0.932 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843980190 RPDXKDATKCTQED-KOLCDFICSA-N 309.322 -0.110 50 20 DBGD O=C(NNC(=O)c1cccc2c1OCCCO2)C(=O)NC1CC1 845110194 XICFWUYNNULIIV-UHFFFAOYSA-N 319.317 -0.113 50 20 DBGD O=Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862456106 VEYHHTKHBPETHS-NSHDSACASA-N 305.290 -0.696 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnc(Cl)c2F)N1 862457117 BBGXWPHSINWEOU-ZCFIWIBFSA-N 300.677 -0.086 50 20 DBGD COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863463414 ZCNKZWSAFZKLGB-IUCAKERBSA-N 320.367 -0.842 50 20 DBGD COC(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCOCC1 863878769 QSRCJCYDXHIKRZ-UHFFFAOYSA-N 321.138 -0.934 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2COC[C@H]2O)cc1 886511039 GTZCWSZBVUIPPM-CHWSQXEVSA-N 307.350 -0.552 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cc2c(nc1O)CCC2 920432574 BZJHSXQKPGMQMQ-UHFFFAOYSA-N 318.333 -0.341 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCc2nnc(C)n2C1 1253470955 LTDPAGCWWCXIFZ-VIFPVBQESA-N 303.326 -0.358 50 20 DBGD CCC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)S(N)(=O)=O 1328342560 MWWUPDGUMGNJEX-HRDYMLBCSA-N 307.372 -0.984 50 20 DBGD C=C(Br)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329159748 QZAWHKWVVJQPPR-LURJTMIESA-N 305.132 -0.496 50 20 DBGD C[C@@]1(Cn2nnnc2N2CCNC(=O)C2)C[C@@H]1Br 1337714426 QINGNLJJPJBDKG-XVKPBYJWSA-N 315.175 -0.217 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 1339258848 ZFJZWPDLPJORCO-UHFFFAOYSA-N 320.227 -0.431 50 20 DBGD Cc1noc([C@@H](C)N(C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1348123607 YZXWOXGSGLXLLV-SVRRBLITSA-N 310.314 -0.610 50 20 DBGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)[C@H]1CCN1 1574998454 CQNHQBLYEIKJDH-YPMHNXCESA-N 302.334 -0.527 50 20 DBGD CN(C)N(C(=O)[C@@H](N)CCCCC#N)[C@@H]1CCS(=O)(=O)C1 1578420593 RCQXCKSXHHOTAR-NEPJUHHUSA-N 316.427 -0.110 50 20 DBGD CC(C)(O)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609084850 HETMOBYIEUXLRH-UHFFFAOYSA-N 304.310 -0.211 50 20 DBGD O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)[C@@H]1CCCO1 42969200 CONYOVSQWICSCS-NSHDSACASA-N 317.301 -0.391 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cn2c(=O)oc3ccccc32)cn1 117680819 HFDWFWDHZKLRCC-UHFFFAOYSA-N 315.289 -0.211 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)N(C)C[C@H](O)CO)cc(C#N)n1C 271249312 GYAVLTOLXGGWGK-RUJPKEBESA-N 302.334 -0.076 50 20 DBGD N#C/C(=C\c1ccc(O)cc1)C(=O)NCCN1CCNC(=O)C1 280357095 VCHPAWWVDAZUAM-UKTHLTGXSA-N 314.345 -0.153 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 281074355 DOPVWNKWTYJWPT-WDEREUQCSA-N 307.306 -0.051 50 20 DBGD CCc1nnsc1C(=O)NNC(=O)CNC(=O)c1ccco1 299687825 QUDUTHWVUMZHDB-UHFFFAOYSA-N 323.334 -0.116 50 20 DBGD Cc1ccc(C)c(N2N=C(C(=O)NNC(=O)CO)CCC2=O)c1 367733176 WNHDHKFELDWOFB-UHFFFAOYSA-N 318.333 -0.074 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 495555607 LFJJKLNNKNOZQI-SECBINFHSA-N 300.359 -0.295 50 20 DBGD CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)CO 496626231 WGEOJHYOMFOQOW-QMMMGPOBSA-N 305.331 -0.944 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(c2ccncc2)CC1 584924963 BBAWKQYNOGHPJW-UHFFFAOYSA-N 311.150 -0.276 50 20 DBGD CCc1nc([C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)n[nH]1 584968764 NGFVAVAVPBGOHD-SSDOTTSWSA-N 306.106 -0.323 50 20 DBGD OCC[C@@H](NCc1ccc(B(O)O)cc1F)C1CCOCC1 585036877 RCKWUPHDYQZQOD-OAHLLOKOSA-N 311.162 -0.227 50 20 DBGD CN1CCC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1=O 585054298 KWAZIZFHARFQON-LLVKDONJSA-N 301.111 -0.248 50 20 DBGD O=C(CCCN1CCN(c2ccccc2)CC1)NCB(O)O 585061155 MBPQGSYDQYQHNI-UHFFFAOYSA-N 305.187 -0.283 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)CN1CCC(=O)NC1=O 731992224 DUAYYHMGNWQICJ-UHFFFAOYSA-N 322.296 -0.543 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccc[n+]2[O-])C[C@H](C)O1 732263475 NBJTUYWUQJJSOA-RYUDHWBXSA-N 322.365 -0.420 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 752757207 SLKUNFKYOPAGPS-QMMMGPOBSA-N 314.342 -0.721 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(C)c(-n2cnnn2)c1 755687321 RAWMWGGUYPGBDN-UHFFFAOYSA-N 305.298 -0.230 50 20 DBGD CC[C@H](CN1CCCC1)NC(=O)NNC(=O)C(=O)NC1CC1 758847634 FMAMMHJEQWRPAB-SNVBAGLBSA-N 311.386 -0.530 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cccn1 764303937 VAAMMQOGHXZBFA-UHFFFAOYSA-N 317.305 -0.395 50 20 DBGD CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764421946 SZVADZRTKMRJEE-UHFFFAOYSA-N 321.333 -0.006 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 771609743 PSCCEYQEDLMIRH-SNVBAGLBSA-N 319.317 -0.160 50 20 DBGD Cc1cnccc1C(=O)NNC(=O)CNC(=O)c1cccnc1 771739437 SZYOMCWPMRRLNV-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C)C(=O)[C@H]2C)c1 778261402 ZQAHRIYWLIEMQT-GFCCVEGCSA-N 318.377 -0.081 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1COCCN1CC(F)F 806808496 GHEOJXGKYLRXGO-VIFPVBQESA-N 317.296 -0.935 50 20 DBGD COCCC(COC)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 812227158 SNYNTQXCIGQTIK-SNVBAGLBSA-N 307.372 -0.488 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)nc1 815475588 QUOPVFPPGLIAIJ-UHFFFAOYSA-N 317.305 -0.015 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)c1nc(N)nc(N(C)C)n1 816829641 YRKPJDXNSABHQK-UHFFFAOYSA-N 315.337 -0.097 50 20 DBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NN(C)C1CC1 819649171 ITCLKIOZWMWJBT-QMMMGPOBSA-N 301.372 -0.788 50 20 DBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1CCNC1=O 826577833 LCWBKIQUOOBWQO-LLVKDONJSA-N 300.318 -0.075 50 20 DBGD O=C(Cn1nnnc1-c1ccsc1)NNC(=O)NC1CC1 843775029 NAVZWADDSLUUJQ-UHFFFAOYSA-N 307.339 -0.106 50 20 DBGD O=C(NNS(=O)(=O)N1CCCOCC1)c1ccccc1O 844642883 DSHKDYRYSMOZJC-UHFFFAOYSA-N 315.351 -0.406 50 20 DBGD Cc1nnnn1-c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1 845993191 XNDFJJPSHFIQDA-UHFFFAOYSA-N 304.310 -0.497 50 20 DBGD COC[C@@]1(CO)CCN(S(=O)(=O)CBr)C1 849397490 SCCZIVKHCFQGAX-QMMMGPOBSA-N 302.190 -0.001 50 20 DBGD CCOC1CC2(CCN(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C2)C1 858700067 DGTISTCCLMSDJO-VTWZXRTESA-N 324.381 -0.103 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@@](C)(CO)[C@@](C)(CO)C1 859823866 VHTFTMDCXPOGOS-GASCZTMLSA-N 315.414 -0.507 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1cccc(C)n1 862523350 ZJHYGMCLPXMUHB-GFCCVEGCSA-N 319.365 -0.040 50 20 DBGD CN(CC(=O)NNC(=O)C1CCOCC1)[C@@H]1CCSC1 883067200 YVHVAFUMWNQZLE-LLVKDONJSA-N 301.412 -0.002 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CN1 915799587 RUEFRMUKNVBUPB-VIFPVBQESA-N 306.278 -0.118 50 20 DBGD CC(C)c1[nH]ccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 1118271648 WGJQALNDMQCCME-QMMMGPOBSA-N 316.383 -0.163 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1119581884 ONTKGVNLEAUQSI-RNJXMRFFSA-N 318.317 -0.447 50 20 DBGD CN(NC(=O)c1cc(=O)cc(C(=O)NN(C)C2CC2)[nH]1)C1CC1 1262339943 LVQSPZIBUKYMSX-UHFFFAOYSA-N 319.365 -0.147 50 20 DBGD CC(C)(C)NCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1318229053 ZZFIVTBUGRDOBO-UHFFFAOYSA-N 317.353 -0.189 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cn[nH]c1 1318784847 RPEUHTMASVQQNV-UHFFFAOYSA-N 303.344 -0.976 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1cccnn1 1320946915 SHPNIKQHDHRSNU-SNVBAGLBSA-N 306.326 -0.953 50 20 DBGD CN(NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 1321139845 GOWXJXBWKZYNGP-UHFFFAOYSA-N 316.321 -0.526 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNc1ccc(C(N)=O)nn1 1321331029 AKQSIXKBHUTLAK-QMMMGPOBSA-N 315.337 -0.128 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 1325519361 IFXSXZPQIZEDRF-SECBINFHSA-N 320.305 -0.290 50 20 DBGD CCOC(=O)C[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 1329268156 QZAQGTOAXPWLCS-ZDUSSCGKSA-N 305.139 -0.076 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)N1CCC(C(=O)O)CC1 1589909145 WILAJKZVSSMFNA-UHFFFAOYSA-N 308.360 -0.806 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)n1 1594298186 GDOZWGDCMNRUKX-AOOOYVTPSA-N 309.326 -0.306 50 20 DBGD O=C(Cc1ccccc1C(=O)O)NNC(=O)[C@H]1COCCO1 1594709707 IISGXLLGUWMHMM-LLVKDONJSA-N 308.290 -0.510 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 1601636166 VMNHHDLVLPCVCE-UHFFFAOYSA-N 316.273 -0.148 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1603974617 PSPDLQAJWODXSV-UHFFFAOYSA-N 302.341 -0.352 50 20 DBGD Cn1ccnc1[C@H](NC(=O)NNC(=O)C(=O)O)C(F)(F)F 1608131109 HXPPTKSHZKSQAO-BYPYZUCNSA-N 309.204 -0.562 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNc1ccc(C(=O)O)cn1 1608371614 OPULYHBIOYKZBH-UHFFFAOYSA-N 313.277 -0.097 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNc1ccc(C(=O)O)cn1 1610655449 FARYLIZMTXAZKI-UHFFFAOYSA-N 321.293 -0.445 50 20 DBGD CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 47683901 SHCMSQVCNWADHL-UHFFFAOYSA-N 301.324 -0.155 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 61544426 HAZOXZREEQKITO-NSHDSACASA-N 307.306 -0.502 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)NC1CC1 279594063 ROUFDSXALDHGHM-CQSZACIVSA-N 308.338 -0.599 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H](CO)O1 319809130 XLYNGQVPNABMMD-WCQYABFASA-N 307.350 -0.471 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NCC(=O)NCC#N)cc(C#N)n1C 490940953 JVSCRUPQZGXERT-LFYBBSHMSA-N 310.317 -0.132 50 20 DBGD C[C@@H](CN1CCOC[C@@H]1C)NC(=O)c1cccc(B(O)O)c1 584941412 JPKUYXWORFRTCW-RYUDHWBXSA-N 306.171 -0.795 50 20 DBGD COCCCOCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584969943 IZNYOXPQFUSRFN-UHFFFAOYSA-N 313.134 -0.369 50 20 DBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCB(O)O)c1 585056066 JOINYNADXKRKDG-UHFFFAOYSA-N 314.172 -0.900 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H](B(O)O)C2)C1=O 585076847 ZTNBNLJWSSTWEH-VIFPVBQESA-N 311.147 -0.828 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)CN2CCCNC2=O)cc1 728204796 QDPGEMRSQURUCY-UHFFFAOYSA-N 319.365 -0.030 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCc2c(O)cccc21 745865372 OPBFWMJGSRBOJT-NSHDSACASA-N 318.333 -0.012 50 20 DBGD Cn1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)c1C1CC1 748245122 MVYRRLCZPXUJPY-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD CCC[C@H](O)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 750076191 LJWQFYCXOPPPPJ-LBPRGKRZSA-N 318.337 -0.026 50 20 DBGD CC(=O)N(C)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 771989423 IFNCVQMKNPQCOW-SECBINFHSA-N 301.343 -0.410 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCN(C(N)=O)CC1 772723600 QLFYHEXZHVBYHO-NSHDSACASA-N 313.402 -0.345 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc(N2CCNC2=O)c1 775497482 SLXSGWRMAPCCEL-UHFFFAOYSA-N 320.353 -0.070 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc2ccccc2n1 777464157 GXNKUJGISVMDIE-UHFFFAOYSA-N 315.333 -0.070 50 20 DBGD COC[C@H](NCC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCCO1 789381689 GROBJFVHDBAHRE-QWRGUYRKSA-N 301.387 -0.037 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNc1ncncc1F 817077882 OLCJGCFEZNQONY-UHFFFAOYSA-N 305.335 -0.270 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNc2ccncn2)n1 824442262 CNTIZYGDFZDGFE-UHFFFAOYSA-N 306.286 -0.220 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccc(F)cc1F 826425492 GPYMPLVCMSGWAC-UHFFFAOYSA-N 321.251 -0.120 50 20 DBGD Cc1ccc(F)c(NNC(=O)CNS(=O)(=O)N(C)C)c1 830821804 WACUQWJCNXKTBY-UHFFFAOYSA-N 304.347 -0.027 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)NC[C@H]2CNCCO2)cc1 842010458 IAQHFJMMMRZLGZ-CYBMUJFWSA-N 322.365 -0.307 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cnc(Cl)n1C 842593496 VMVBWJOALYEQPN-BQBZGAKWSA-N 322.774 -0.192 50 20 DBGD CCC(CC)(CO)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 847300318 XJIVDFFICAOKJW-SECBINFHSA-N 306.384 -0.633 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCNC2=O)cc1OC 854180723 PZTFRVJIVIQOIK-VIFPVBQESA-N 307.306 -0.399 50 20 DBGD COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694638 APKQJNKLWHMLIC-IUCAKERBSA-N 312.326 -0.967 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 859440594 NTMNYZQUGGHMEW-PRHODGIISA-N 307.306 -0.502 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@H]2CCCC[C@@H]2N1 862464275 WFAVPLHVAVQAIN-CHWFTXMASA-N 322.365 -0.893 50 20 DBGD CCO[C@@H]1CC(=NNC(=O)CS(C)(=O)=O)[C@]12CCCO2 863184535 YCPKNIMFPGQUPE-ZYHUDNBSSA-N 304.368 -0.139 50 20 DBGD OB(O)c1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)cc1 877675939 XBQGXUQYCBYQDO-LLVKDONJSA-N 314.076 -0.149 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)C[C@@H](C)O1 891768557 YHDQTHHORPETHE-VIDBKGRSSA-N 323.393 -0.142 50 20 DBGD O=C(CCNS(=O)(=O)c1cccnc1)NNc1ncccn1 914834967 ZDFKWGZTILQNML-UHFFFAOYSA-N 322.350 -0.317 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)C1CCCC1 914867935 AALBGZCVFQDURN-UHFFFAOYSA-N 314.367 -0.376 50 20 DBGD Cn1cnn(-c2ccc(NC(=O)NNC(=O)CCO)cc2)c1=O 1116635961 QSCZGDUQPCUGFG-UHFFFAOYSA-N 320.309 -0.894 50 20 DBGD COCCOCC(=O)NNC(=O)c1scnc1COC 1118980298 CJIXCRUSVIHLLP-UHFFFAOYSA-N 303.340 -0.287 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)c1nnc(O)c2ccccc12 1319953164 ZYOLKIJSMCUNJA-UHFFFAOYSA-N 317.305 -0.377 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(-c2cnco2)c1 1320531713 KBTDGLMMVVSCJA-UHFFFAOYSA-N 304.262 -0.580 50 20 DBGD CO[C@@H]1CCOc2c(NC(=O)C(=O)NNC(=O)CO)cccc21 1321034665 KSUSZYIKAJCNFW-SNVBAGLBSA-N 323.305 -0.765 50 20 DBGD Cc1nc(Cn2nnc(C(=O)NNC(=O)C3CC3)c2C)no1 1322175531 UNBDRTLBZGTSBJ-UHFFFAOYSA-N 305.298 -0.503 50 20 DBGD CCn1nc(NC(=O)C(=O)NNC(=O)CCO)cc1C1CC1 1323944478 YGKCSYKZGHNIPI-UHFFFAOYSA-N 309.326 -0.751 50 20 DBGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1330109991 ZATVEWFFVYYDNH-SECBINFHSA-N 322.277 -0.357 50 20 DBGD C[C@]1(Cn2nnnc2N2CCNC(=O)C2)C[C@@H]1Br 1337714424 QINGNLJJPJBDKG-OIBJUYFYSA-N 315.175 -0.217 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ncc(Cl)cn2)nn1 1348046595 RGPWARIWXHZMKT-UHFFFAOYSA-N 324.732 -0.433 50 20 DBGD CN1C[C@H](O)C[C@@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1591170356 FXHOKZJESWRPNO-RISCZKNCSA-N 317.353 -0.235 50 20 DBGD Cc1onc(CC(=O)NNc2ncncc2F)c1-c1nn[nH]n1 1592516505 PPNRCFVLBFXDEW-UHFFFAOYSA-N 319.260 -0.222 50 20 DBGD Cc1cc(=NNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)cc[nH]1 1600283507 UPTRYGCYPRZIDS-IUCAKERBSA-N 309.326 -0.584 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(-n2cccc2)c1 1601636233 WVUWDTYYZCWAAE-UHFFFAOYSA-N 316.273 -0.352 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 1602127272 LWLBBURMOJHKHS-SNVBAGLBSA-N 313.335 -0.552 50 20 DBGD CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNC(=O)[C@H]1COCCO1 1603312000 HWGSADQRCSBATH-MRVPVSSYSA-N 314.338 -0.314 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccc(Cl)cn1 1606623588 RCHZGZHHPVZMRO-UHFFFAOYSA-N 320.704 -0.350 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)c1cc(Br)c[nH]1 128989413 ZRGFAMBDHPMXNW-UHFFFAOYSA-N 314.103 -0.775 50 20 DBGD CO[C@H](C)CCNC(=O)NNC(=O)CNC(=O)c1ccco1 263817453 WWPQDFMQXBMBHQ-SECBINFHSA-N 312.326 -0.235 50 20 DBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NN 270251558 UYWICNPSOUXGAE-UHFFFAOYSA-N 315.351 -0.680 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C(N)=O)cn1 276565401 MIBZLVBHMHSNRO-UHFFFAOYSA-N 324.337 -0.269 50 20 DBGD CN(C)[C@H](CNC(=O)c1cccc(B(O)O)c1)c1ccco1 584924303 HCCXDTDHICONFG-CYBMUJFWSA-N 302.139 -0.008 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C(=O)C2CC2)CC1 584943777 NJNWNOZBVNHBCQ-UHFFFAOYSA-N 302.139 -0.939 50 20 DBGD CC(C)(CS(C)(=O)=O)NC(=O)c1cc(B(O)O)ccc1F 584975291 MDFXCCPXMAMAES-UHFFFAOYSA-N 317.147 -0.942 50 20 DBGD C[C@@H](CN1CCOCC1)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584981670 ACDIXPYIZULGCD-NSHDSACASA-N 324.161 -0.702 50 20 DBGD CN1CC[C@H]2CC[C@H](C1)N2C(=O)c1cc(B(O)O)ccc1F 584991500 ZPOIYQFWFZOBCM-VXGBXAGGSA-N 306.146 -0.186 50 20 DBGD C[C@H](CCN1CCN(C)CC1)NCc1ccc(B(O)O)cc1F 585036344 HWOZSOPSUGVPLV-CYBMUJFWSA-N 323.221 -0.379 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(NS(C)(=O)=O)cc1 727762420 CZLMDRONUDYZGC-UHFFFAOYSA-N 314.367 -0.619 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C 736939019 IBLGXHNRWVRZHP-UHFFFAOYSA-N 312.311 -0.276 50 20 DBGD CC(=NNC(=O)CSc1nnc(O)nc1O)[C@H]1CCOC1 741762779 NWXHMOXQKPBXNF-ZETCQYMHSA-N 313.339 -0.097 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O 768762796 XUKAHPSRLBAWLE-JOYOIKCWSA-N 322.321 -0.332 50 20 DBGD C=CCNC(=O)CNC(=O)NNC(=O)c1cccc(C#N)c1 776909615 ONDTVFHUAOIUJU-UHFFFAOYSA-N 301.306 -0.196 50 20 DBGD Cc1nc(C(=O)NNC(=O)CNC(=O)c2cccnc2)co1 801634482 MDTSNGRLRYXEEM-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD C=C[C@@](C)(O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 827855822 JBFAJDLIWHXTLW-CYBMUJFWSA-N 316.358 -0.222 50 20 DBGD CC(C)OC[C@@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1 828929749 SKTQBNGCCCAEMY-LBPRGKRZSA-N 301.387 -0.084 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C12CC(C(=O)OC)(C1)C2 830518183 PYJHBOGPGJVHDV-AHOQVSSZSA-N 312.322 -0.181 50 20 DBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)N1 846639573 RJLSOYSTKNIQDE-ZCFIWIBFSA-N 301.284 -0.875 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCCS2(=O)=O)cc1 847406416 JYVWEVRRSPVJBH-LLVKDONJSA-N 307.331 -0.104 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H]2NC(=O)CC[C@H]2C1 852497941 YBMXBTDNOLRQSG-WDEREUQCSA-N 310.398 -0.220 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)C2(CO)CCOCC2)n1 857486693 QBQLMHHGNVJYGZ-UHFFFAOYSA-N 301.734 -0.056 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 858571665 JCPIXARYMQAGST-HRDYMLBCSA-N 302.331 -0.850 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862449297 DRRLVWAVBBWDHD-MRVPVSSYSA-N 314.342 -0.673 50 20 DBGD COc1cccc([C@@H](OC)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862463842 NIUVRDYOAHCACD-WCQYABFASA-N 321.333 -0.191 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)OC[C@@H]1CCCCO1 869909234 NUEGILWVXUMZGJ-NEPJUHHUSA-N 318.370 -0.229 50 20 DBGD CN(NC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)OC(C)(C)C 1118769927 GJYOFDPCZDBKEY-SSDOTTSWSA-N 300.315 -0.127 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 1318499244 KKSNGKKSGFSBQJ-UHFFFAOYSA-N 312.307 -0.211 50 20 DBGD CCc1nn(C)cc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1319842490 NJGDKIXBLBGSQZ-QMMMGPOBSA-N 301.372 -0.630 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc2c1ccn2C 1324362754 SGJLNFZEAPZKDD-UHFFFAOYSA-N 318.289 -0.563 50 20 DBGD COc1ncccc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331498947 QDFUBCLGPGHYBW-VIFPVBQESA-N 307.310 -0.801 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1332158079 RAAZPNKVLPRBFC-APPZFPTMSA-N 310.285 -0.268 50 20 DBGD CCOC(=O)/C(C#N)=C\NNC(=O)C(=O)Nc1ccccn1 1340277384 SZEOXSQXCHPLOF-HJWRWDBZSA-N 303.278 -0.389 50 20 DBGD CNC(=O)NNC(=O)c1ccc(OCc2nc(C)no2)nc1 1348122672 HESGWERTDVPELS-UHFFFAOYSA-N 306.282 -0.074 50 20 DBGD Cc1noc([C@H](C)N(C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1348123608 YZXWOXGSGLXLLV-XPUUQOCRSA-N 310.314 -0.610 50 20 DBGD Cc1nn(C)c(N)c1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549319653 INJFONZLJMXVGC-JQWIXIFHSA-N 306.370 -0.376 50 20 DBGD Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@H]2CCN2)cc1C 1579662529 QUFYKNPXJIQCQU-GFCCVEGCSA-N 304.350 -0.457 50 20 DBGD N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1580376387 XXTFKKVGOUGVAL-YNEHKIRRSA-N 310.398 -0.486 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)[C@@]12CNC[C@@H]1CCO2 1580573356 IANGTNGNIBMFDV-XHDPSFHLSA-N 307.325 -0.106 50 20 DBGD O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21)[C@H]1COCCO1 1580736005 KUYIPUVMUMLAHE-UMSGYPCISA-N 311.382 -0.283 50 20 DBGD Cn1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccc1=O 1592593675 XGWMIXQYFUONBW-UHFFFAOYSA-N 312.293 -0.283 50 20 DBGD CC(C)(CC(=O)O)CC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1609673346 PVLMOWIWZNPPRB-SECBINFHSA-N 323.353 -0.121 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](Cn2ccnn2)C1 119115415 OVMURPWRDGMGBY-NEPJUHHUSA-N 308.386 -0.064 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)c2ccc(C)o2)nn1 267857278 RKUBPSPWEKZHFH-UHFFFAOYSA-N 307.266 -0.573 50 20 DBGD CCc1cccnc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 270871665 MGRNQYSHBMAQHU-SNVBAGLBSA-N 311.363 -0.160 50 20 DBGD O=C1CN(CCNC(=O)NNc2cncc(Cl)n2)CCN1 272996569 QVBKLIVSXKPQEC-UHFFFAOYSA-N 313.749 -0.812 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)N1CCOCC1 274754175 OWPMXPSLTAKCTK-UHFFFAOYSA-N 317.371 -0.728 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1ccc([N+](=O)[O-])cc1 276156693 PNQSOUXWPMQKQK-VHSXEESVSA-N 323.261 -0.012 50 20 DBGD C[C@@H]1NC(C(=O)NNC(=O)N(C)C)=NN(c2ccccc2)C1=O 299395634 UBOOOLKAPQBCTC-VIFPVBQESA-N 318.337 -0.373 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCn1cccn1 494452117 JKGGSVQCWRGZSG-UHFFFAOYSA-N 311.342 -0.055 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@@H]1c1nc[nH]n1 584969321 LFQHJBNGKPZTRG-GFCCVEGCSA-N 300.127 -0.148 50 20 DBGD CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(B(O)O)c(F)c1 584969747 IORTWRWIJVAKDQ-VIFPVBQESA-N 309.024 -0.499 50 20 DBGD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585057467 FGTNRQFTIKGUJN-ZETCQYMHSA-N 318.091 -0.029 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1 728437269 OPWOMOLBDYLXSJ-LURJTMIESA-N 304.284 -0.424 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cnc(O)c(Br)c1 743332716 FPRGAOHVNSFIPM-UHFFFAOYSA-N 317.143 -0.128 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCOC1CCC1 743577199 NECHROXBCZYPGB-UHFFFAOYSA-N 324.337 -0.091 50 20 DBGD O=C(NNC(=O)c1cc([N+](=O)[O-])cnc1O)C(=O)N1CCCC1 748343292 MAJYJXGYMNYWGZ-UHFFFAOYSA-N 323.265 -0.921 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN2CCCC[C@@H]12 748461028 NUQCOAQSGGWZQS-RYUDHWBXSA-N 323.397 -0.434 50 20 DBGD CN(C)C(=O)Cn1ccc(NC(=O)NNc2ncccn2)n1 775589231 NLSOYROFVHQUEN-UHFFFAOYSA-N 304.314 -0.090 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 786826754 JGOSCZLMYIXQOK-ZJUUUORDSA-N 300.359 -0.355 50 20 DBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)N1CCN(C)CC1 788166206 JXLZHZMFUBDMGR-SNVBAGLBSA-N 313.402 -0.475 50 20 DBGD O=C(NN=C1CC(=O)N2CCCC[C@@H]12)[C@@H]1CCS(=O)(=O)C1 799475175 XYCUMOIYVTVSLA-KOLCDFICSA-N 313.379 -0.322 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)Nc2ccccc2)C1=O 801986615 BZYDUCKDQGGLMG-UHFFFAOYSA-N 305.294 -0.267 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1csnn1 814814349 IABGEUOOMJYFBO-SSDOTTSWSA-N 303.369 -0.252 50 20 DBGD CC(C)C[C@@H](CNC(=O)NNC(=O)[C@H]1COCCO1)C(=O)O 818627841 NVFJDZILDMWXHZ-VHSXEESVSA-N 317.342 -0.521 50 20 DBGD CCSC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CC1 823017935 RGXMUTROXJDJFC-UHFFFAOYSA-N 300.384 -0.119 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@](C)(O)Cn1ccccc1=O 843970414 FRUPRYXRPSZSEK-FIXISWKDSA-N 323.349 -0.828 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(F)(F)F 858218839 WJHMAYTWVOMBMF-NTSWFWBYSA-N 312.248 -0.827 50 20 DBGD CO[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1(C)C 858700505 NCHJYMQPXCGLGQ-VHSXEESVSA-N 312.370 -0.247 50 20 DBGD CCO[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 860028422 KBQORRCJYPICKB-NSHDSACASA-N 306.322 -0.017 50 20 DBGD CCc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 861945990 HRHFUJHWLQEGAP-NSHDSACASA-N 318.333 -0.387 50 20 DBGD COC(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(C#N)c1 863378759 JRAHBFZXYUHJBJ-WCQYABFASA-N 316.317 -0.328 50 20 DBGD CN1CCCN(CCCNC(=O)c2cccc(B(O)O)c2)CC1 863872970 ROKNJRMBLYSOKS-UHFFFAOYSA-N 319.214 -0.876 50 20 DBGD COCCOCC(=O)NN=C(CS(=O)(=O)N(C)C)C(C)C 872400588 NFVYAYDZLCOMOW-UHFFFAOYSA-N 323.415 -0.331 50 20 DBGD O=C(CN1CCC[C@@H](NC2CCOCC2)C1)NNC(=O)C1CC1 880203268 HZHZUEYAFBSQTA-CQSZACIVSA-N 324.425 -0.223 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)CCOc2ccccc2)C1=O 900435914 SKUUCJTYETUZQK-CYBMUJFWSA-N 321.333 -0.540 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1(N(C)C)CC1 923003983 NOWMFJKWKVGVNA-JTQLQIEISA-N 302.375 -0.538 50 20 DBGD COC1(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 1116771651 SRCVNBGQUJOPHI-SECBINFHSA-N 304.368 -0.472 50 20 DBGD CNC(=O)NNS(=O)(=O)c1sc(NC(C)=O)nc1C 1251539109 KGKNESVYQAGESW-UHFFFAOYSA-N 307.357 -0.468 50 20 DBGD O=C(CC1OCCO1)NNC(=O)c1nnc(O)c2ccccc12 1256316515 QVHKFTXUXXKPOX-UHFFFAOYSA-N 318.289 -0.141 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2nccnc2c1 1317732208 MVXVIMCVFCVAJH-UHFFFAOYSA-N 301.306 -0.085 50 20 DBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1nccn(C)c1=O 1319051951 DGQGBKBVPGHUCC-MRVPVSSYSA-N 305.294 -0.365 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1320566318 CLRJKTCQXQWTJT-UHFFFAOYSA-N 316.339 -0.870 50 20 DBGD CS(=O)(=O)NCc1ccc(C(=O)NN=c2cc[nH]cc2)o1 1320790730 YFZORTIAKXGTJL-UHFFFAOYSA-N 310.335 -0.097 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCCOC1 1320793435 UJMCHIMDCROTDF-GHMZBOCLSA-N 312.370 -0.246 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCN(C)C(=O)OC(C)(C)C 1323453118 DEVLKXVXZVFIMF-UHFFFAOYSA-N 318.330 -0.643 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc2c[nH]nc2c1 1329126486 HNJPUVIBWKQZAX-UHFFFAOYSA-N 310.335 -0.703 50 20 DBGD CN(C)N(C(=O)CO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1330178467 WQFYAPFZCQEYCS-QWRGUYRKSA-N 306.384 -0.716 50 20 DBGD CC[C@H](C(=O)NNC(=O)CN1C(=O)CNC1=O)c1ccccc1 1338859644 BGQDTMHPBMOPBN-NSHDSACASA-N 318.333 -0.121 50 20 DBGD C#CCNCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1340665904 RSEGORIWQKHKJF-UHFFFAOYSA-N 322.390 -0.207 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1452261660 QTWFVQBTWJRXDB-CBAPKCEASA-N 317.309 -0.552 50 20 DBGD CNCCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1578715931 JKWTYSRLOPOBDZ-NSHDSACASA-N 320.349 -0.676 50 20 DBGD NC[C@H](O)CC(=O)NNC(=O)c1ccc(Br)s1 1580231861 KJVFACJMSSOVNH-RXMQYKEDSA-N 322.184 -0.019 50 20 DBGD C=CC(=O)N(CC)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588466695 JFTUCJUXWLEYGW-UHFFFAOYSA-N 316.325 -0.261 50 20 DBGD COCCN(C)NC(=O)COc1cccc(-c2nn[nH]n2)c1 1591420315 CYXOPJZHMCMICP-UHFFFAOYSA-N 306.326 -0.145 50 20 DBGD CN(C)S(=O)(=O)CC(=O)NNc1ccccc1C(=O)O 1598259108 BFNYJMNTKIRVPA-UHFFFAOYSA-N 301.324 -0.281 50 20 DBGD O=C(O)COCC(=O)NNC(=O)Cn1ccc2ccccc21 1602078270 QSVPUQSCEXLJBF-UHFFFAOYSA-N 305.290 -0.110 50 20 DBGD COc1cc(C(=O)O)ccc1NNC(=O)CS(C)(=O)=O 1607139987 ITZIAISWEYMEKM-UHFFFAOYSA-N 302.308 -0.119 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2 1608530864 JMRMWIBXHDGHGC-UHFFFAOYSA-N 312.307 -0.808 50 20 DBGD O=C(NNC(=O)C1(O)CCC1)c1cccc(-c2nn[nH]n2)c1 1609558120 PVPAYEHDPIUVAP-UHFFFAOYSA-N 302.294 -0.457 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cncc(C(=O)O)c1 1609882320 VAZHZEUOBGEDMN-SSDOTTSWSA-N 309.278 -0.118 50 20 DBGD O=C(CO)NNC(=O)c1cc(Br)cc(C(=O)O)c1 1610668167 SXBVRHHRNXXCJN-UHFFFAOYSA-N 317.095 -0.099 50 20 DBGD CCOCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 48952962 ALCAITGOPAUKTE-SECBINFHSA-N 307.372 -0.679 50 20 DBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NN)C1 121192083 OABLIXCWTGJLHM-SECBINFHSA-N 301.372 -0.583 50 20 DBGD COc1cc(C)nc(NNC(=O)NCC(=O)N2CCOCC2)n1 271850504 BZFLSHMBRVXWKP-UHFFFAOYSA-N 324.341 -0.721 50 20 DBGD O=C1CN(CCNC(=O)NNc2cccc([N+](=O)[O-])c2)CCN1 272660554 BUAFQOQGIXEKHE-UHFFFAOYSA-N 322.325 -0.347 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 276254386 MMUNCGZLTKTFSZ-PHDIDXHHSA-N 311.260 -0.638 50 20 DBGD CN1CCN(S(=O)(=O)c2ccc(NNC(N)=O)nc2)CC1 281128673 IWLDMSJDYMZYEL-UHFFFAOYSA-N 314.371 -0.987 50 20 DBGD O=C1C[C@@]2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CN1 584953902 ADUSBKOSZLDNNR-HNNXBMFYSA-N 302.139 -0.891 50 20 DBGD C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(B(O)O)cc1 584973636 FJCYJCVFEXZWBZ-SNVBAGLBSA-N 306.171 -0.258 50 20 DBGD O=C(NC1(c2nc[nH]n2)CCC1)c1cc(B(O)O)ccc1F 584979978 MOEYGQUBUDJNBO-UHFFFAOYSA-N 304.090 -0.567 50 20 DBGD COCC1(CNC(=O)c2ccc(B(O)O)cc2)CCOCC1 584992064 KLGXQCTYVPZHHB-UHFFFAOYSA-N 307.155 -0.461 50 20 DBGD CC(C)c1nc2n(n1)C[C@@H](NCc1ccc(B(O)O)o1)CC2 585021853 OXKWFXATTLTLEX-JTQLQIEISA-N 304.159 -0.221 50 20 DBGD OB(O)c1cccc(CNC2CCN(C[C@H]3CCOC3)CC2)c1 585024996 JHGBOYTVEZTXOF-OAHLLOKOSA-N 318.226 -0.043 50 20 DBGD CC(C)Cn1nc(C(=O)NCB(O)O)c2ccccc2c1=O 585058843 RKAYVWAPFPPAMS-UHFFFAOYSA-N 303.127 -0.206 50 20 DBGD COCCCNC(=O)NNC(=O)CCCCN1CCOCC1 732062657 HEWMKGVNJMQNCN-UHFFFAOYSA-N 316.402 -0.144 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCOc2cccnc2)cn1 735514708 DLKKHQWVVOLELV-UHFFFAOYSA-N 304.310 -0.162 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 737807884 NMVCOPUMTAQKSV-UHFFFAOYSA-N 315.215 -0.025 50 20 DBGD COc1cccc([C@@H](O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 755284854 ZMJZMSACZVVECS-CYBMUJFWSA-N 304.306 -0.158 50 20 DBGD CCC(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 755848057 JIYOONHFRUBALV-UHFFFAOYSA-N 320.309 -0.805 50 20 DBGD Cc1cnc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cn1 763819326 ZIIRYRDVGFSVKS-UHFFFAOYSA-N 314.305 -0.629 50 20 DBGD N#Cc1ncn(CC(=O)NNC(=O)COc2ccc(F)cc2)n1 769050423 WBBYZVFLOJUZJZ-UHFFFAOYSA-N 318.268 -0.485 50 20 DBGD CCC[C@@](C)(O)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 770885757 YEQNWMFMWQICPI-GZMMTYOYSA-N 307.372 -0.945 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(OCC(N)=O)cc1 775496266 FCUSLEYYJUYIIH-UHFFFAOYSA-N 309.326 -0.735 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NCC(=O)NNC(=O)C(C)(C)C 776485221 OWBOFZXPLNJJRM-WDEREUQCSA-N 301.387 -0.037 50 20 DBGD CCC(O)(CC)CCNC(=O)NNC(=O)C(=O)NC1CC1 788324271 PTQGQGJALIRNQE-UHFFFAOYSA-N 300.359 -0.463 50 20 DBGD Cc1c(F)cccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 817720090 YBMXUVJZYMXRQY-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD C=C[C@@H](O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 831478247 YBXCVXRQHNNXSA-SECBINFHSA-N 301.343 -0.014 50 20 DBGD COCCN(C)NC(=O)c1cc(S(N)(=O)=O)cnc1C 848057525 WDQKJTNQJRBZPY-UHFFFAOYSA-N 302.356 -0.740 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 848234240 DVLJAXABVFGFFJ-NKWVEPMBSA-N 309.282 -0.242 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCNC1=O 854223462 FPWYHWAWZMLOJB-GZMMTYOYSA-N 309.297 -0.124 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(CF)cc1 857116620 KSVULUJRZHGAPZ-MRVPVSSYSA-N 317.342 -0.145 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858486091 MKBCDOIBFLOCNW-SECBINFHSA-N 300.359 -0.199 50 20 DBGD N#Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862453551 XFADKKZHKJBWSS-NSHDSACASA-N 302.290 -0.637 50 20 DBGD O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 862455185 ZRLLKAPBDBQVGY-GXSJLCMTSA-N 316.317 -0.462 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(C(F)(F)F)n[nH]2)N1 862462459 QKYWYOICMCWGCD-BYPYZUCNSA-N 305.216 -0.532 50 20 DBGD Cn1cc(C(=O)NNCC(F)(F)C(F)(F)F)c(O)nc1=O 863093221 CPXHVHVKLDPLMU-UHFFFAOYSA-N 316.186 -0.082 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccc(F)cc2)N1 863413573 JKYSNBWIEBTYGT-SECBINFHSA-N 301.299 -0.586 50 20 DBGD COC(=O)CSCCNC(=O)c1cc(B(O)O)ccc1F 863873843 ILKNKVKUJUZDCT-UHFFFAOYSA-N 315.131 -0.859 50 20 DBGD CC(=O)N1C[C@H]2CN(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)C[C@H]2C1 883705266 GRPFHVHNJDBPKD-XEZLXBQYSA-N 324.381 -0.438 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 910166763 PIWYAHHVBXMQIL-QWRGUYRKSA-N 317.386 -0.034 50 20 DBGD C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)n1cccn1 912994534 RPUKGJCEUSKWMP-MNOVXSKESA-N 300.384 -0.064 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNC(=O)Cc1ccncc1 1116189564 COZVTYHIRPZOIH-UHFFFAOYSA-N 314.367 -0.611 50 20 DBGD CSC[C@@H](C)C(=O)N1CCC(C(=O)NNC(=O)CO)CC1 1116924441 LDIXBMUWCUXSNE-SECBINFHSA-N 317.411 -0.636 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNC(=O)C(=O)NC1CC1 1317726124 SEKQLGBOGMTVJL-UHFFFAOYSA-N 312.351 -0.966 50 20 DBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1320398915 JTSLUNQTJJSMNG-UHFFFAOYSA-N 301.324 -0.375 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cnn(CC(F)(F)F)c1 1320527013 KOHFESRTEBPLER-UHFFFAOYSA-N 315.277 -0.090 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1nc(C)c(C)s1 1320965674 ZVPCOBWOGCYXQZ-UHFFFAOYSA-N 300.296 -0.981 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccnn1-c1ccncc1 1321139994 GOEPFZWDNQIIMR-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)NC1CC1 1321577525 XNXXFVWIVZSGPI-UHFFFAOYSA-N 304.310 -0.634 50 20 DBGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)NCC1CC1 1330233134 CPJIROFTXQKGAI-UHFFFAOYSA-N 318.380 -0.251 50 20 DBGD Cc1nc(N(C)C)sc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331802515 DUMKATYHZDWDHO-SSDOTTSWSA-N 311.367 -0.443 50 20 DBGD CCn1nc(C(=O)NNC(=O)Cc2cccnc2)ccc1=O 1338822030 BGOLZFFSRZGARM-UHFFFAOYSA-N 301.306 -0.338 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NCCN1CCC2(C1)OCCO2 1527879090 YMCKMZLCOICFKN-UHFFFAOYSA-N 314.386 -0.188 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)CCCCCN 1579993209 RCECQFHDFNUYNR-UHFFFAOYSA-N 308.386 -0.099 50 20 DBGD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)C(=O)O)[C@H]2C1 1589056931 KJIGLPMNHLVERJ-LPEHRKFASA-N 312.326 -0.952 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)c1ccnnc1 1594782888 LVFCHBFFQCMYBG-UHFFFAOYSA-N 310.335 -0.164 50 20 DBGD O=C(O)CC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCOCC1 1594976286 KEMNEZJRHQVHDM-UHFFFAOYSA-N 310.310 -0.629 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(C(=O)O)cn1 1605726650 ZWQYMZCAEHPQOI-ZETCQYMHSA-N 316.339 -0.449 50 20 DBGD NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791294360 PFATWYDDMUDVPL-CIUDSAMLSA-N 324.208 -0.272 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cn1 16881656 PDAUIIZKAMVCPP-RUDMXATFSA-N 314.305 -0.810 50 20 DBGD C[C@@H]1CO[C@H](CO)CN1CC(=O)NNC(=O)c1cccs1 167825677 YPQPKVMEFGVMEQ-ZJUUUORDSA-N 313.379 -0.409 50 20 DBGD CCNS(=O)(=O)NNC(=O)CSc1ccccc1O 270674173 WZPHTSAYFYUEHJ-UHFFFAOYSA-N 305.381 -0.041 50 20 DBGD CNS(=O)(=O)c1ccc(CCC(=O)NN(C)C(N)=O)cc1 271246089 CTEROBOOBSOOLP-UHFFFAOYSA-N 314.367 -0.431 50 20 DBGD CCNC(=O)N(C)NC(=O)CNC(=O)c1ccc(C#N)cc1 272662551 HVZXIWLZARCTCT-UHFFFAOYSA-N 303.322 -0.019 50 20 DBGD CCN(C)C(=O)CNC(=O)NNc1ccc(-n2cccn2)nn1 275066363 XZCSTDNOCSSDOQ-UHFFFAOYSA-N 318.341 -0.233 50 20 DBGD CNc1ccccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 293704503 ISPPZNQZKJUQPP-SECBINFHSA-N 311.363 -0.076 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CC(=O)N1 296303641 SGWNXLXQCXOFMA-SECBINFHSA-N 308.313 -0.593 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1cccc(-n2cnnn2)c1 495894531 QUZLZBMFUSARGU-UHFFFAOYSA-N 312.311 -0.446 50 20 DBGD O=C(NC[C@@H](CO)Cc1ccco1)c1cccc(B(O)O)c1 584931524 YHGSIPQYYDMAQQ-NSHDSACASA-N 303.123 -0.460 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@H]1OC 584973720 BPXDINKIEHWRTO-YNEHKIRRSA-N 311.118 -0.572 50 20 DBGD CCN1C[C@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1=O 585003112 LKSBBQIFQYKCOZ-VIFPVBQESA-N 308.118 -0.896 50 20 DBGD CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(B(O)O)o3)[C@H]2C1 585040111 ABECILOAWGLXGI-UBHSHLNASA-N 306.171 -0.304 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1csnn1 725739395 FHVIKAJSSDVSAY-UHFFFAOYSA-N 311.348 -0.209 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCC(C(N)=O)CC2)c1 732284051 IJQGMNKZLYIWKB-UHFFFAOYSA-N 318.377 -0.047 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(C)CCN(C(C)=O)C1 772163035 IRROUSXALTYHON-LKFCYVNXSA-N 313.354 -0.266 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H](CO)C1CC1 778641857 UGIQKSHPUPKISS-SECBINFHSA-N 310.310 -0.889 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ncncc1Cl 781831653 MTTOUALXJBPCQV-MRVPVSSYSA-N 319.774 -0.003 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)CC1(CC(=O)OC)CC1 782477511 SZNYRZPKXAAAFZ-UHFFFAOYSA-N 307.372 -0.175 50 20 DBGD COCCOC1CCC(C(=O)NNC(=O)CN(C)C)CC1 795071263 UEEGKMPUYLZZPP-UHFFFAOYSA-N 301.387 -0.083 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn3ccccc23)CC1 807379049 RHBDHQOXRPIBDS-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 810112341 QXOOYNGXJDUGHX-AEJSXWLSSA-N 305.400 -0.560 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnc(N(C)C)n1C 811635182 OHKYOQPSXNQLMA-GFCCVEGCSA-N 322.413 -0.096 50 20 DBGD CCC[C@@H]1C[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 812534496 MLYWNSXEWKAITF-KXUCPTDWSA-N 303.384 -0.060 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)C(C)C)n1N 813366056 NFGTZZARQOZKNR-UHFFFAOYSA-N 300.388 -0.160 50 20 DBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1ccc2c(c1)OCCO2 820114743 STFVEHWYLPLEBK-VIFPVBQESA-N 305.290 -0.503 50 20 DBGD O=C(CO)NNC(=O)CN1C(=O)C(F)(F)Oc2ccccc21 827895895 WUKJIJMTHREAHI-UHFFFAOYSA-N 315.232 -0.856 50 20 DBGD COCCn1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1=O 843648184 WITMAEPUNYTBPN-JQWIXIFHSA-N 323.349 -0.319 50 20 DBGD NC(=O)NCCC(=O)NNc1ncc(Br)cn1 848320409 UNDQZTCGPBYGTB-UHFFFAOYSA-N 303.120 -0.259 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NN(C)C(=S)NC)c1 854923181 LBZHVLJVCPXTJD-UHFFFAOYSA-N 324.406 -0.179 50 20 DBGD Cc1nn(CC(=O)NNC(=S)NCC2CCC2)c(=O)n1C 855092651 MGXPXRKZPRWGLX-UHFFFAOYSA-N 312.399 -0.814 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H](O)c2cccc(F)c2)N1 858695940 IMRAHBTXIUTTRH-GHMZBOCLSA-N 324.312 -0.532 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 861946765 UKHUYVBVMREGPO-LLVKDONJSA-N 318.333 -0.332 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2noc3c2CCCCC3)N1 862459245 PTKKNEHEPUWLNS-VIFPVBQESA-N 306.322 -0.017 50 20 DBGD COCc1cccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862461013 KLBNWBCJURVKSW-GFCCVEGCSA-N 305.334 -0.199 50 20 DBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(F)c1 863460029 WTDQPCFOPISGDI-UHFFFAOYSA-N 304.299 -0.360 50 20 DBGD O=C(COc1ccc(B(O)O)cc1)N1CCC2(CC1)OCCO2 863865547 FUZGOGMRBHMNNJ-UHFFFAOYSA-N 321.138 -0.889 50 20 DBGD COC(=O)CN(C(=O)c1cccc(B(O)O)c1)C1CCOCC1 863874216 RFOGMYYULJYTCC-UHFFFAOYSA-N 321.138 -0.839 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](O)C(F)(F)F 863886397 YJMXSNSRFIHKEU-MLUIRONXSA-N 309.024 -0.453 50 20 DBGD Cn1ccnc1CNC(=O)NNc1nc(O)c2cnn(C)c2n1 1116314452 XUSVPKLPBJEUPS-UHFFFAOYSA-N 317.313 -0.371 50 20 DBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cnn[nH]1 1116615654 IPSHWXQFANHRBU-UHFFFAOYSA-N 311.323 -0.026 50 20 DBGD CC(C)(C)c1ncc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 1117377882 MMEIGCXLVJWDCD-UHFFFAOYSA-N 305.338 -0.186 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCO[C@H]1CN 1261643310 OHDFDSGIEPXKNZ-KOLCDFICSA-N 313.379 -0.103 50 20 DBGD CNC(=S)N(C)NC(=O)CCC(=O)N1CCC(O)CC1 1261744948 UYFWZHNAUOHMAG-UHFFFAOYSA-N 302.400 -0.783 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccccc1-n1cncn1 1320510136 HFLOPCCMYUPLSP-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD N#CC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 1323023175 HDLKQQAVXJTPFC-MRVPVSSYSA-N 300.340 -0.802 50 20 DBGD COC(=O)Cc1csc(NC(=O)NNC(=O)CCO)n1 1323985760 OSBHZGILUHKIET-UHFFFAOYSA-N 302.312 -0.606 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccnc1OC(C)C 1324362463 PZSXCVUUQPTFDL-UHFFFAOYSA-N 324.293 -0.872 50 20 DBGD COc1ccc(C=NNC(=O)C(C)(C)O)cc1OCC(N)=O 1324393151 IVYPYVQFSOPZPK-UHFFFAOYSA-N 309.322 -0.220 50 20 DBGD CN(C)CCOCCNC(=O)NNC(=O)C1CCOCC1 1331940416 UZQADOFDMPYLCD-UHFFFAOYSA-N 302.375 -0.678 50 20 DBGD O=C(NNc1cccnn1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1338498130 GIOIOFOOLWIJRT-VXGBXAGGSA-N 314.305 -0.110 50 20 DBGD CC1=C(C(=O)NNC(=S)NC(C)C)[C@H](C)n2nnnc2N1C 1349777017 IOIQKINNJOHLGL-QMMMGPOBSA-N 324.414 -0.138 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNc1ncncc1F 1351581941 MHEXFMBZARXKLV-ZETCQYMHSA-N 302.335 -0.151 50 20 DBGD CS(=O)(=O)N1CC(C(=O)NNc2ncccc2C(=O)O)C1 1574242910 OGACWVLLSTVGJZ-UHFFFAOYSA-N 314.323 -0.886 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CSCN2)C[C@@H](C)O1 1576800447 IPFCWBUZYPHMJT-MXWKQRLJSA-N 316.427 -0.704 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NC[C@@H]1CNCCO1 1580562365 QJURBRKBOZZAIL-JTQLQIEISA-N 324.337 -0.910 50 20 DBGD COC[C@](C)(NCC(=O)NNC(=O)c1ccc(C)cc1)C(=O)O 1599153768 CELVEYNXRLRXPJ-HNNXBMFYSA-N 323.349 -0.165 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 1602804331 HSWCYMUEPSOSDS-SSDOTTSWSA-N 318.330 -0.438 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc(C(=O)O)c(F)c1 1606302800 NCPQZRVKGDNRHM-UHFFFAOYSA-N 305.287 -0.484 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1cnccc1-c1nn[nH]n1 1606604073 ZFNVIAQMXVWWDY-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1cnc(C(=O)O)cn1 1608367937 FBUQIZSBIMZPAG-UHFFFAOYSA-N 301.262 -0.427 50 20 DBGD CN1CC(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)C1 1841354082 HYDLUGQNZNMGCL-LLVKDONJSA-N 315.801 -0.649 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)c1c(C)nc2ccccn12 9748112 JCTUDMUMBGCHIZ-UHFFFAOYSA-N 318.337 -0.277 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CC2)c1 138650615 RKHIQDHXYFULSW-UHFFFAOYSA-N 312.351 -0.299 50 20 DBGD C[C@H]1CCNC(=O)[C@@H]1NCC(=O)NNC(=O)c1ccccc1 193650316 NDBQWFLMQOSIKQ-GXFFZTMASA-N 304.350 -0.438 50 20 DBGD CN(C)C(=O)NNC(=O)CN1CCN(c2ccccn2)CC1 266848284 OUNQRAPSNDFQGR-UHFFFAOYSA-N 306.370 -0.494 50 20 DBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)N1CCN(C)CC1 278506561 AJMLOQWHKJKXDK-NSHDSACASA-N 307.354 -0.163 50 20 DBGD Cn1ccnc(NNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1=O 365827253 ZVUBYMYJABOWAL-CHISNJGVSA-N 318.377 0.555 50 20 DBGD COC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 490578251 AXTOBRBEZIDHMK-UHFFFAOYSA-N 312.307 -0.776 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cn[nH]c1 491441342 SHYRBRSEVBJUJC-UHFFFAOYSA-N 312.330 -0.122 50 20 DBGD CC(=O)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)C1 584959025 BFAPNXQMWIHMCB-SECBINFHSA-N 308.118 -0.802 50 20 DBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C(N)=O)C1 584973365 GXMPTOKWJJCVCV-PELKAZGASA-N 308.118 -0.769 50 20 DBGD OC[C@H](C[C@@H](O)c1ccccc1)NCc1ccc(B(O)O)cc1 585034122 IQNXALXKRSSTNT-DLBZAZTESA-N 315.178 -0.059 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2cccc(C#N)c2)cn1 735460983 COIYWUWYFDHZOI-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)N2CCOCC2)CC1=O 745987842 IAQRTRBSHYXGMP-SNVBAGLBSA-N 312.370 -0.294 50 20 DBGD CCNC(=O)NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 748529307 NDNOAHJPRKQQEO-AWEZNQCLSA-N 319.321 -0.295 50 20 DBGD Cn1nncc1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 751130594 DPSYFCZVHXMTQO-UHFFFAOYSA-N 311.309 -0.381 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1CN2CCCN1CC2 763497445 QOBOSBJRFIMESO-AWEZNQCLSA-N 317.393 -0.364 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 764422051 UXDPNTAZZHGQIG-UHFFFAOYSA-N 319.239 -0.130 50 20 DBGD COC[C@H](O)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 766149210 SKRGSLOZLWPWJI-NSHDSACASA-N 310.306 -0.693 50 20 DBGD CC1(C)C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C(C)(C)O1 779385903 WGZUFKKURINXGJ-VIFPVBQESA-N 312.370 -0.059 50 20 DBGD CN(C)C(=O)CN1CCN(C(=O)CN2CC=C(C#N)CC2)CC1 779587608 PYAYPEKRGQXAFU-UHFFFAOYSA-N 319.409 -0.626 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(C(=O)C2CC2)CC1 781933248 UUJSKGCTWXLLKJ-LLVKDONJSA-N 310.398 -0.123 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@H]1CCCO1 789332611 RPJUYJPVNKLXJR-GHMZBOCLSA-N 311.342 -0.442 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)C2CC2)cc1 801110671 DHAWVCWAXWTCAE-UHFFFAOYSA-N 318.333 -0.393 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)N=c1cc[nH]cc1 802025345 BOSCXUYGPWVECT-UHFFFAOYSA-N 318.293 -0.223 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ncncc1F 817081046 OBCZAAZJBCRHIE-UHFFFAOYSA-N 308.229 -0.171 50 20 DBGD CCOc1ccc(NNC(=O)C[C@H](NC(C)=O)C(N)=O)cc1 817925952 YDTHCXDTPFBIBA-LBPRGKRZSA-N 308.338 -0.092 50 20 DBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CC2CC2)c1 819126876 XOPLCRTZGABBOP-UHFFFAOYSA-N 314.367 -0.174 50 20 DBGD CN(NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1CC1 819651750 TWRCYLBYWPTBKH-CQSZACIVSA-N 324.381 -0.273 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCc2ccc(O)cc21 822689417 ZYJGTFUWHCJFTL-GFCCVEGCSA-N 318.333 -0.012 50 20 DBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826934238 HHGLKNQKKBMIKI-GWOFURMSSA-N 301.343 -0.454 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nc(C2CC2)n[nH]1 827126837 MINFPKVVKQSAIZ-APPZFPTMSA-N 308.342 -0.063 50 20 DBGD N#Cc1ccc(NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 830776479 LEMYNNCZQLJFPE-LLVKDONJSA-N 323.378 -0.083 50 20 DBGD COc1nccnc1NNC(=O)[C@]12CCC(=O)N1CCS2 840571728 LGUXOGDDLAZZBC-GFCCVEGCSA-N 309.351 -0.006 50 20 DBGD Cc1nn(CC(=O)NNC(=O)Cc2ccc(F)cc2)c(=O)n1C 847291291 NJFLXUFTBYJKTO-UHFFFAOYSA-N 321.312 -0.581 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)Cc1nc2ccccc2n1C 854200996 AJROVXMMXNOZEK-GFCCVEGCSA-N 320.349 -0.075 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1cc[nH]n1 855356984 WOHFGQDJYJVRTN-CQSZACIVSA-N 319.321 -0.908 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 858129237 FGEVBAYECKOGBP-AWEZNQCLSA-N 318.333 -0.145 50 20 DBGD O=C(O)COc1ccccc1C=NNC(=O)[C@@H]1CCC(=O)N1 863146930 XYZQESHOVFYCPQ-JTQLQIEISA-N 305.290 -0.121 50 20 DBGD COC(=O)c1coc(C(C)=NNC(=O)CS(C)(=O)=O)c1 863186509 ACSPVNSCVBSLGC-UHFFFAOYSA-N 302.308 -0.049 50 20 DBGD CC(=NNC(=O)C(N)=O)c1cccc(S(=O)(=O)N(C)C)c1 915934844 JRRKLUJVTSKMSY-UHFFFAOYSA-N 312.351 -0.738 50 20 DBGD N#CCc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1116388248 DDNJDSUXFYUZGM-GFCCVEGCSA-N 321.358 -0.052 50 20 DBGD CC(C)N1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 1118123775 PEVJRPDIDMFPTO-HBNTYKKESA-N 312.370 -0.249 50 20 DBGD CNC(=S)N(C)NC(=O)CCCN1C(=O)CN(C)C1=O 1118770581 OXNMUYVRONIQLO-UHFFFAOYSA-N 301.372 -0.872 50 20 DBGD Cn1cc(N2CC[C@H](NCc3ccccc3B(O)O)C2)cn1 1119243171 MTADCEOWMCHRFO-ZDUSSCGKSA-N 300.171 -0.532 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1cccn1 1251156193 QHIJESJNQYTZNJ-IUCAKERBSA-N 300.340 -0.974 50 20 DBGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc1 1323939866 BFVQHRFQTWOFTI-UHFFFAOYSA-N 320.349 -0.283 50 20 DBGD O=C(NNC(=O)c1cnc2nccnc2c1)C(=O)N1CCCC1 1325405628 ORXCEWWBDBZGAQ-UHFFFAOYSA-N 314.305 -0.592 50 20 DBGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329077476 FCFIOKHFEYVNCW-UFBFGSQYSA-N 321.381 -0.358 50 20 DBGD CN(C)N(C(=O)CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1339427220 HBCWGWONCJSVLO-LLVKDONJSA-N 300.384 -0.165 50 20 DBGD CCCc1csc(NC(=O)C(=O)NNC(=O)CCO)n1 1344077670 SDPNSKNYRNKGNQ-UHFFFAOYSA-N 300.340 -0.436 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1ccsc1 1346443393 BBQSVWJHQMCQRL-PWSUYJOCSA-N 308.407 -0.174 50 20 DBGD CN(C)N(C(=O)[C@H](N)CCCCC#N)[C@@H]1CCS(=O)(=O)C1 1578420596 RCQXCKSXHHOTAR-VXGBXAGGSA-N 316.427 -0.110 50 20 DBGD COC(=O)NNS(=O)(=O)c1cnc(C)c(-c2nn[nH]n2)c1 1591275537 LWGYGIYTGQEAAK-UHFFFAOYSA-N 313.299 -0.881 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594697341 FEFDMNPULCTDNV-JGVFFNPUSA-N 309.278 -0.732 50 20 DBGD CC(=O)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1842612326 NTPOCQXOQKUPQZ-UHFFFAOYSA-N 324.381 -0.848 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843188229 ZOFWXEUEDXYXHU-QMMMGPOBSA-N 313.745 -0.779 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)NCC2CC2)cs1 49183829 KESSYHCACBARKN-UHFFFAOYSA-N 318.380 -0.251 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)c1cccnc1 65834424 FSZSYTIYKWXDKT-UHFFFAOYSA-N 304.266 -0.044 50 20 DBGD Cc1cc(C)nc(NNC(=O)NC[C@@H]2CN(C)CCN2C)n1 264841934 LGHFXSZMTOESIY-GFCCVEGCSA-N 307.402 -0.035 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@H]2CN(C)CCN2C)n1 266975998 QTOWZJFNLFSEAY-NSHDSACASA-N 323.401 -0.334 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NCCN1CCNC(=O)C1 272649517 AJNHOPBSWUEUIS-UHFFFAOYSA-N 301.347 -0.843 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 276165656 APSFHZHRQNEOLE-ZCFIWIBFSA-N 311.260 -0.685 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)c2cccc(C)n2)C1 280017349 UWZQRZMWTKJPOG-UHFFFAOYSA-N 307.310 -0.215 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1O 287369134 YZJADSOLEREGJB-ZJUUUORDSA-N 323.305 -0.805 50 20 DBGD O=C(NCCCCn1ccccc1=O)c1cccc(B(O)O)c1 584940314 TVDKDTILHGLLLK-UHFFFAOYSA-N 314.150 -0.262 50 20 DBGD CN(C)C1(CNC(=O)c2cccc(B(O)O)c2)CCOCC1 584947105 GOIRNSBWIMVTHC-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD Cn1cc(C[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)cn1 584954052 DVDFFXGIOBYHQN-LBPRGKRZSA-N 313.166 -0.195 50 20 DBGD C[C@H]1CC[S@@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584982121 IOFPZGGTKYRRQF-JLTPVHFHSA-N 313.159 -0.511 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)o1 585042203 LFCLNAMQMWJWCR-FZMZJTMJSA-N 309.171 -0.383 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCCC(=O)N(C)C 748622978 BRBAWNDWBKHZGM-JTQLQIEISA-N 318.374 -0.763 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)c1ccccn1 748697068 IGMQAQYLYRGRFP-UHFFFAOYSA-N 317.261 -0.387 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCN(C(=O)C2CC2)C1 749599121 KUMCJAPTNOOMDY-LBPRGKRZSA-N 324.381 -0.292 50 20 DBGD Cn1cc(C(=O)NNC(=O)CO)c(-c2ccc([N+](=O)[O-])cc2)n1 753444361 LCXDIOLPWWUFLI-UHFFFAOYSA-N 319.277 -0.251 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)cnc1OC 764319604 PCANEXKGPCKKNK-UHFFFAOYSA-N 310.310 -0.479 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)c2ccccn2)cn1 770465314 CNVRWHVQDCUMQE-UHFFFAOYSA-N 301.262 -0.267 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)N2CCC[C@@H](C)C2)n1 771605638 LGAABDIUSAAOBL-SNVBAGLBSA-N 321.381 -0.094 50 20 DBGD Cc1nn(C)c(-n2ccnc2C)c1C(=O)NNC(=O)C(C)(C)O 793926246 SHESJCWMYSVHEC-UHFFFAOYSA-N 320.353 -0.245 50 20 DBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(C)=O)cc1C 794579459 XKKRZSHLSGIHSS-UHFFFAOYSA-N 321.380 -0.767 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCN1CCOCC1 825525967 LDDDBGKGCIBCBD-NEPJUHHUSA-N 314.386 -0.536 50 20 DBGD CO[C@@H]1CN(CC(=O)NNC(=O)Cc2ccccc2C)C[C@H]1O 832007204 JQOMTQIDPRPFPH-ZIAGYGMSSA-N 321.377 -0.624 50 20 DBGD C[C@H](NC(=O)O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 833739892 VKKCNYYATQDLBI-XVKPBYJWSA-N 309.278 -0.370 50 20 DBGD CC(C)N(CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858693735 WRNUUCGTWHFDIK-LLVKDONJSA-N 313.402 -0.286 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NN[C@H](C)C(F)(F)F)C1=O 862308918 JLBOSAYMMPNMKH-ZCFIWIBFSA-N 322.243 -0.465 50 20 DBGD CCOc1nc(C)ccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458593 GSJLWIUVEXFSKZ-JTQLQIEISA-N 306.322 -0.172 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc3c2OCCCO3)N1 862464420 YIMBQNDKEMIKCY-JTQLQIEISA-N 319.317 -0.113 50 20 DBGD O=C(/C=C/CN1CCOCC1)NNC(=O)NCc1ccco1 865015953 QKJAJFNQHDTMEI-DAFODLJHSA-N 308.338 -0.002 50 20 DBGD CCCN(C(=O)c1cc(B(O)O)ccc1F)[C@@H](C)C(=O)OC 888606978 YTKSAJBRTGUCDY-VIFPVBQESA-N 311.118 -0.081 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1=O 899942715 QDAAMSWDYBWSIB-JTQLQIEISA-N 311.725 -0.042 50 20 DBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1CCC(=O)N1 900945083 LGLQIURIXLTVBI-QMMMGPOBSA-N 322.277 -0.600 50 20 DBGD CCOC(=O)[C@H]1CSCN1C(=O)c1ccc(B(O)O)cc1 907904222 FELOQYVDGFZAPH-LLVKDONJSA-N 309.152 -0.555 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2 913433664 MNPBKICDTWHRIX-KBVBSXBZSA-N 306.746 -0.274 50 20 DBGD NC(=O)C(=O)NN=C1C(=O)Nc2cc(OC(F)(F)F)ccc21 915049686 YUQYGUZQFHDYNC-UHFFFAOYSA-N 316.195 -0.157 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccc(C(N)=O)o1 1116450197 ZPRATPHRDYGHJK-UHFFFAOYSA-N 302.381 -0.150 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cccc(CO)c2)N1 1118805825 IUCWDUAFTRGTNU-NSHDSACASA-N 306.322 -0.712 50 20 DBGD COCCOCC(=O)NNC(=O)CCc1c(C)nn(C)c1C 1118980764 SKVMRFJGTBBZHX-UHFFFAOYSA-N 312.370 -0.220 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cnc3n2CCCC3)N1 1261790357 JFAHAPMNSXFDIG-JTQLQIEISA-N 320.353 -0.672 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@]1(C)CCN(C(C)=O)C1 1261880798 NZIMSALILVODJN-ZDUSSCGKSA-N 301.343 -0.945 50 20 DBGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320235259 SPDFFCMWNNHCNI-UHFFFAOYSA-N 308.294 -0.574 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CO)cc1NS(C)(=O)=O 1320377434 OFMZOQLTCZLAOJ-UHFFFAOYSA-N 301.324 -0.880 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC[C@@H](C)N1CCCCC1 1320961512 HQOPIBGYHNUOHW-SNVBAGLBSA-N 300.359 -0.246 50 20 DBGD CC(CN1C(=O)CCC1=O)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1321093915 GBRVMRIANDECTO-SECBINFHSA-N 315.351 -0.938 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCCS(C)(=O)=O)n1 1321496498 OELCYPGENZWARH-UHFFFAOYSA-N 300.340 -0.621 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnnn2C)cc1C 1321729190 KWGZJCJLLZFTHH-UHFFFAOYSA-N 316.321 -0.168 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1ncncc1F 1327887641 IIJFQFRSIVVAKF-SSDOTTSWSA-N 320.371 -0.021 50 20 DBGD O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CC[C@H](B(O)O)C1 1329214767 KCVSHGVCZKUYKN-VHSXEESVSA-N 315.160 -0.918 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)c3cccn32)N1 1331690488 JPHAYCBLKVFVFU-WPRPVWTQSA-N 304.306 -0.568 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccncn1 1343654643 CDJIITQABPDNHP-UHFFFAOYSA-N 307.354 -0.139 50 20 DBGD CN(C)N(C(=O)[C@@H](O)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1343773700 MIZMUPVNQSQYHB-PWSUYJOCSA-N 313.379 -0.393 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2cccc(F)c2C(=O)O)C1=O 1598623244 BORFBSLRNBRSII-JTQLQIEISA-N 311.269 -0.176 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc(C(=O)O)n2)N1 1602638196 MIPBBHIBCNZLBM-ZCFIWIBFSA-N 307.266 -0.789 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)c1cccnn1 1605815874 WCZOGOMGXRNCEG-UHFFFAOYSA-N 310.335 -0.164 50 20 DBGD Cc1c(NNC(=O)Cn2ncn(C)c2=O)cccc1C(=O)O 1607553248 NPWCMOVKCCHKQM-UHFFFAOYSA-N 305.294 -0.268 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1 264147775 PMPWOYCRLKIGDN-MRVPVSSYSA-N 300.340 -0.223 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cnn(C)c1 265515021 BJMAHYGULZUILR-VIFPVBQESA-N 307.354 -0.124 50 20 DBGD COCC1(O)CCN(CC(=O)NNC(=O)c2ccccc2)CC1 270334522 CPHXGYQYRFGRJA-UHFFFAOYSA-N 321.377 -0.079 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NN(C)C(N)=O)cc1C 291460921 OBRJQUNSNDGIKK-UHFFFAOYSA-N 314.367 -0.377 50 20 DBGD CC(C)[C@@](C)(NCC(=O)NNC(=O)c1ccccc1)C(N)=O 297787676 WPFFUXAQWBARGM-OAHLLOKOSA-N 306.366 -0.063 50 20 DBGD Cn1ncc(C(=O)NNC(=O)N2CCOCC2)c1-n1cccc1 299370435 KPXGUVJZXJQSDD-UHFFFAOYSA-N 318.337 -0.103 50 20 DBGD COC(=O)N1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1 493733272 NOBBEXRPQPAHRE-NSHDSACASA-N 314.386 -0.048 50 20 DBGD Cc1cc(CNC(=O)c2ccc(B(O)O)cc2)nc(N(C)C)n1 584979811 GJUPPNNGUMKIHF-UHFFFAOYSA-N 314.154 -0.539 50 20 DBGD CCO[C@H]1C[C@](O)(CNC(=O)c2ccc(B(O)O)cc2)C1(C)C 584980008 NJRSHHIFAAIIPV-BBRMVZONSA-N 321.182 -0.338 50 20 DBGD C[C@H]1OCC[C@@]12CN(C(=O)c1cc(B(O)O)ccc1F)CCO2 584985911 SECCSFSMWCDKPT-MEBBXXQBSA-N 323.129 -0.475 50 20 DBGD CN1CCO[C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@@H]21 584987885 WXXCNJQZIQQCCH-KBPBESRZSA-N 322.145 -0.949 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)NCCCOC)cn1 727362082 NNCUYPTZTIWZKR-UHFFFAOYSA-N 305.360 -0.568 50 20 DBGD CC(C)(C)C(=O)NNC(=O)COCC(=O)NCc1cccnc1 731182495 BWJLKUOIIGKBAI-UHFFFAOYSA-N 322.365 -0.092 50 20 DBGD CCOCC(=O)NNC(=O)NCCNc1ccc(C#N)cn1 731281191 YSTJTJQDPMSLSW-UHFFFAOYSA-N 306.326 -0.268 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](COC)C1CC1 750445201 FKCXREQBXJLKFK-KOLCDFICSA-N 303.359 -0.207 50 20 DBGD COCC(=O)NNC(=O)Nc1cccc(S(C)(=O)=O)c1 755556068 DTSSGCCTSWLODX-UHFFFAOYSA-N 301.324 -0.111 50 20 DBGD CSC[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 764344254 WFBJTHJKBDVHFQ-SECBINFHSA-N 310.379 -0.042 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1ccc([N+](=O)[O-])cc1 768254131 AMZNBGHHLYKVDD-UHFFFAOYSA-N 319.277 -0.022 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)C(C)(C)C(N)=O)c1 769686781 HETSHLKZROCLJZ-UHFFFAOYSA-N 321.333 -0.189 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ccnc(F)c1 781355743 KDIOPUYHLNYRCY-NSHDSACASA-N 323.328 -0.209 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(=O)n(C)c1 790063358 IGMJKFUYZSXZCU-UHFFFAOYSA-N 311.338 -0.065 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 793380492 IGHRQOSMLNEPKM-UHFFFAOYSA-N 316.339 -0.311 50 20 DBGD COC[C@H](O)CNC(=O)NNC(=O)Cn1ccc2ccccc21 801750111 YWDZZKSHOZKIFJ-GFCCVEGCSA-N 320.349 -0.021 50 20 DBGD CCC[C@H](C(=O)NNC(=O)c1ccccn1)S(N)(=O)=O 816808107 BHUADIFMJDMUGD-SECBINFHSA-N 300.340 -0.700 50 20 DBGD Cc1nc(S(=O)(=O)NCCC(=O)NN(C)C2CC2)cn1C 819647287 LCHCQTOYWLOADZ-UHFFFAOYSA-N 315.399 -0.478 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)NCc2nnn(C)n2)cc1 845157294 OWUGRNPXDKEQLM-UHFFFAOYSA-N 319.325 -0.248 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3oc(O)nc3n2)CC1 854382917 PINICTKRVPWCPH-UHFFFAOYSA-N 320.309 -0.470 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(C(N)=O)CCC1 854385604 AFYTXWQOJSZDBZ-UHFFFAOYSA-N 301.343 -0.421 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCOc3ccccc32)N1 862454473 GSOFNDHFLRTDSM-WDEREUQCSA-N 303.318 -0.021 50 20 DBGD O=C(CCNC(=O)C1CCCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862454981 YEEVBRCVSSGUPU-NSHDSACASA-N 324.381 -0.501 50 20 DBGD O=C(O)COc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1 863146746 VERDXEBMQFTLMH-NSHDSACASA-N 305.290 -0.121 50 20 DBGD CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 863879249 PCQAKBDLAOOKCR-OAHLLOKOSA-N 323.154 -0.811 50 20 DBGD CC[C@](COC)(NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863885844 PNYMVWXVJGCUBJ-CQSZACIVSA-N 309.127 -0.936 50 20 DBGD CCO/C=C(\C#N)C(=O)NCCCN1CCCS1(=O)=O 869616241 GKKAMANECKVMGG-ZHACJKMWSA-N 301.368 -0.028 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)C[C@H](C)O)C1 910168585 OWIFNWHYIYUKKU-WDEREUQCSA-N 307.416 -0.608 50 20 DBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)C1CCCC1 912524337 PHTGAMJNKNDGGY-UHFFFAOYSA-N 316.339 -0.304 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 912920938 GSYQJLLJRCZKBP-AXFHLTTASA-N 314.386 -0.842 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCN(C(C)C)C1 1116182104 UQARXSQSGWFTTL-JTQLQIEISA-N 300.359 -0.390 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1n[nH]c(O)n1 1326384286 XBFNUOBMOOGCMV-RITPCOANSA-N 301.328 -0.825 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnc(C2CC2)[nH]1 1332313217 XVXVZYIHMSZRIU-QMMMGPOBSA-N 312.351 -0.517 50 20 DBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NN(C)[C@@H](C)CO)c2C1 1332471330 VPNSDQROTWCBNQ-JQWIXIFHSA-N 323.397 -0.461 50 20 DBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)[C@H]1CCN1 1579889359 MNEQSRUWJWZRPG-SECBINFHSA-N 303.326 -0.963 50 20 DBGD Cn1c(C(=O)NNC(=O)c2ccncc2)ccc1-c1nn[nH]n1 1581752317 YIBCFTKHSFHLPM-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(C(=O)O)CCSCC2)cn1 1594530505 XXXKCZPTLQGLCE-UHFFFAOYSA-N 312.351 -0.221 50 20 DBGD O=C(NCC1(C(=O)O)CCOCC1)NNC(=O)c1ncccn1 1594742655 VBDUNYVUXCJWDM-UHFFFAOYSA-N 323.309 -0.698 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)c(C(=O)O)[nH]1 1600249830 AGMVYAZRRPTTEL-UHFFFAOYSA-N 308.294 -0.093 50 20 DBGD O=C(NNC(=O)C12CCC(C(=O)O)(CC1)C2)C(=O)N1CCCC1 1601553503 KERUMNUZULTSCB-UHFFFAOYSA-N 323.349 -0.209 50 20 DBGD O=C1NC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](F)Cl)O1 1847849369 XRDAQWKPHCQDJS-JBDRJPRFSA-N 319.720 -0.169 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1c(F)cccc1F 7726010 XDOOEDHVOFHROP-UHFFFAOYSA-N 321.305 -0.201 50 20 DBGD COCCCNC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 25251477 MUNHCMGTOAJDJC-JXMROGBWSA-N 306.322 -0.856 50 20 DBGD Cc1cccc2c1N(C(=O)C(=O)NNC(=O)CN(C)C)CC2 126413829 YOMUSDLPUQSNSQ-UHFFFAOYSA-N 304.350 -0.407 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)c(C)o1 267539019 AEOHJGCEDITDMW-UHFFFAOYSA-N 301.324 -0.333 50 20 DBGD C[C@@]1(c2cccc(C(=O)NNC(=O)C3CC3)c2)NC(=O)NC1=O 269137141 YGJSWGOTXFNNOM-HNNXBMFYSA-N 316.317 -0.088 50 20 DBGD CCCN1Cc2cccc(NC(=O)C(=O)NNC(=O)CO)c2C1 372052928 IYJITRJNUXALIO-UHFFFAOYSA-N 320.349 -0.510 50 20 DBGD O=C1N[C@@]2(C(=O)Nc3cccc(B(O)O)c3)C[C@H]3C[C@H]1[C@H]2C3 584911669 LJGKYTCLOJCHRQ-VCJARVCASA-N 300.123 -0.780 50 20 DBGD CN1CCN(CCCN(C)C(=O)c2ccc(B(O)O)cc2)CC1 584941085 DXJRHCWBFYOQAN-UHFFFAOYSA-N 319.214 -0.924 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@]2(CCCNC2=O)C1 584976786 MEOAKJPXUUUBDT-INIZCTEOSA-N 316.166 -0.501 50 20 DBGD O=C(NNc1ncccn1)[C@H]1Nc2ccccc2S(=O)(=O)N1 727766649 AGWHOLHABAKHHJ-JTQLQIEISA-N 320.334 -0.350 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@]23CCC(=O)N2CCS3)cn1 735470967 IIAQHMLVNUGVJD-LBPRGKRZSA-N 309.351 -0.753 50 20 DBGD O=C(NNC(=O)[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1 738129613 FDWHZODHQTUVIC-SNVBAGLBSA-N 302.294 -0.336 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)/C=C\c1cnn(C)c1 740853128 UESVGAXJMBCNDY-SREVYHEPSA-N 307.354 -0.115 50 20 DBGD COC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccco1 746769952 IPVFNARZYHSMMV-VIFPVBQESA-N 310.310 -0.424 50 20 DBGD O=C(CC[C@H]1CCOC1)NNC(=O)CNC(=O)c1ccco1 751266519 MCPWKULANLUJHS-JTQLQIEISA-N 309.322 -0.027 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 755281609 KBONOGPMOBQYGJ-UHFFFAOYSA-N 303.278 -0.405 50 20 DBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)C2CC2)cn1 764680122 YKRZORLAQQMHMV-UHFFFAOYSA-N 324.341 -0.792 50 20 DBGD CN(NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C(N)=O 778417445 SZPKESATSRIIIU-NSHDSACASA-N 305.338 -0.025 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@H](C)O)[C@H](C)CO 785537208 OKYYJWQHHMLYGS-WOPDTQHZSA-N 303.403 -0.368 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 794080461 NLSGKIPCBZFDPY-UHFFFAOYSA-N 305.254 -0.649 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C(N)=O)c[nH]1 807371107 BZGQOWOPRAMYAK-UHFFFAOYSA-N 312.326 -0.336 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)C(=O)NC1CC1)C(=O)O 818627221 QONIPKPWKSDAAQ-UHFFFAOYSA-N 314.342 -0.514 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826308338 VCOILODOACHZKH-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD CC[C@H]1CN([C@H](CC)C(=O)NNC(=O)C(C)(C)O)CCO1 830696050 ACVACUKGZXUKRZ-WDEREUQCSA-N 301.387 -0.206 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)c1ccccc1OC 845546141 ONRSZPLTKUQOKW-UHFFFAOYSA-N 310.310 -0.293 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCC[C@]1(O)CCCOC1 845714861 WNZLUBWIKPUVGG-OAHLLOKOSA-N 322.365 -0.114 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@H](C)C(=O)N(C)OC)n1 858989563 GWVQIXCJNVYNCU-MRVPVSSYSA-N 312.330 -0.172 50 20 DBGD O=C(CSCc1ccncc1)NNC(=O)[C@@H]1CCC(=O)N1 862453443 VMLMFAXXONGFLY-JTQLQIEISA-N 308.363 -0.259 50 20 DBGD Cn1c(O)nc2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc21 862457749 PQMRWYJQIOOPLO-VIFPVBQESA-N 317.305 -0.682 50 20 DBGD O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)[C@H]1CCC(=O)N1 862458103 XLLRMZULJPIUMC-GHMZBOCLSA-N 309.297 -0.325 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H](O)c2ccc(Cl)cc2)N1 862460850 HMMZKFMFDMCROV-MWLCHTKSSA-N 311.725 -0.201 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCC(=O)N1CCN(C)CC1 916433509 YZZKSOBYZCVYGK-UHFFFAOYSA-N 313.402 -0.473 50 20 DBGD CCN(CCO)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 1119104451 JOBCQHVOAPXJJQ-LBPRGKRZSA-N 323.397 -0.459 50 20 DBGD COc1cc(C)nc(NNC(=O)CC[C@H]2NC(=O)NC2=O)n1 1252430392 RKGRRRMTNJFICL-SSDOTTSWSA-N 308.298 -0.775 50 20 DBGD CN(C)N(C(=O)[C@@H]1C[C@]12CCOC2)[C@H]1CCS(=O)(=O)C1 1254882902 RUZGJPDUXSKXNY-GVXVVHGQSA-N 302.396 -0.095 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1 1318505502 XSVPZXMIVSBITO-UHFFFAOYSA-N 320.397 -0.703 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)nn(CC)c1C 1320232884 STIMBOUTUMDYHW-UHFFFAOYSA-N 311.342 -0.358 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)NCC(F)(F)F)CC1 1322554770 GAWAONRUHFUUOC-UHFFFAOYSA-N 303.262 -0.544 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(N2CCCC2)c1 1323943303 DSHBJKWXWJNZHN-UHFFFAOYSA-N 320.349 -0.245 50 20 DBGD O=C(NNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)C1CC1 1330183191 DHEDCUTZEVFCFG-RQJHMYQMSA-N 314.285 -0.233 50 20 DBGD Cn1cnc2c(C(=O)NNC(=O)[C@H]3CCC(=O)N3)ccnc21 1335329058 DQNNQJOLQCKLDG-MRVPVSSYSA-N 302.294 -0.992 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 1345734033 VIEFAQFODRGZSK-DCAQKATOSA-N 312.370 -0.247 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1cnccc1-c1nn[nH]n1 1592925506 GLFLSDKNCFVSHY-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C(=O)N1c1ccccc1 1594254829 GFVIXTXLMGLSDX-SCZZXKLOSA-N 320.305 -0.405 50 20 DBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccnnc2)CO1 1595005250 MNWDYRHMEHPLKC-UWVGGRQHSA-N 308.294 -0.493 50 20 DBGD O=C(O)CCN(C(=O)c1ccc(B(O)O)cc1)C1CCOCC1 1595055232 QUSGYCYMRAFSDW-UHFFFAOYSA-N 321.138 -0.538 50 20 DBGD COc1c(F)cc(F)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1599334953 QCMBOMNPMGLZIU-UHFFFAOYSA-N 317.204 -0.856 50 20 DBGD CN1CC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1=O 1604848546 DVLIZFGJHDDRQH-SNVBAGLBSA-N 301.310 -0.212 50 20 DBGD O=C(COC(F)F)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606562800 MCZZSAYOHLWHQQ-UHFFFAOYSA-N 312.236 -0.133 50 20 DBGD Cc1ccc(C)c(S(=O)(=O)NNC(=O)NCC(=O)O)c1 1610496880 YEOKWNBIHYFZPM-UHFFFAOYSA-N 301.324 -0.119 50 20 DBGD COc1cccc(C(=O)NCC(=O)NNC(=O)NC2CC2)c1 64429115 QEUZIMCSGKLSOJ-UHFFFAOYSA-N 306.322 -0.082 50 20 DBGD C[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccc2c(c1)OCO2 291967557 HOXMUUCUMPUMQH-QMMMGPOBSA-N 319.317 -0.055 50 20 DBGD CC(C)[C@H](C(=O)NNc1nnc[nH]1)N1CCCS1(=O)=O 293819914 FSPDJFRGCKYUMX-MRVPVSSYSA-N 302.360 -0.692 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584964370 HDGZWMIQRMIUKD-CHWSQXEVSA-N 304.155 -0.599 50 20 DBGD O=C(N[C@H](CO)CC(F)(F)F)c1cc(B(O)O)ccc1F 584970069 RULSWDOVHVDZHW-ZETCQYMHSA-N 309.024 -0.451 50 20 DBGD O=C1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)[C@@H](C2CC2)N1 584987716 TVTNUXPBIOZBOM-GXTWGEPZSA-N 320.129 -0.708 50 20 DBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)N1CCCC1 729350415 AQOVWUDNOCLYOR-UHFFFAOYSA-N 322.365 -0.795 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)cc1 738041203 YPABFDQYIIYLAW-WDEREUQCSA-N 307.306 -0.025 50 20 DBGD O=C(CN1CCN(C[C@@H]2CCCO2)CC1)NNC(=O)C1CC1 738299234 MSVDUVDENIDYQK-ZDUSSCGKSA-N 310.398 -0.660 50 20 DBGD C[C@H](Cn1ccnc1)NC(=O)NNC(=O)C(=O)N1CCCC1 748451170 PLJGWKHVOBVHLE-SNVBAGLBSA-N 308.342 -0.776 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 751270997 GOTUWJXPAGJCAN-UHFFFAOYSA-N 312.355 -0.211 50 20 DBGD Cc1ccc(C(=O)NNC(=S)NCCS(C)(=O)=O)o1 752243697 IAIKMUCPDUVPDX-UHFFFAOYSA-N 305.381 -0.258 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2C)c1 753428271 DOQMKQWPWNMAFU-NSHDSACASA-N 319.321 -0.578 50 20 DBGD Cc1cccc(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758041074 VXWIYRJEQUHAPW-SNVBAGLBSA-N 313.379 -0.377 50 20 DBGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)C(C)(C)C 759015764 CINYNQYTJNYCOS-UHFFFAOYSA-N 323.419 -0.805 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)nc1 769624534 IQPCRMYVNDNGCL-UHFFFAOYSA-N 316.339 -0.229 50 20 DBGD CCCS(=O)(=O)CC(=O)NNC(=S)NCCSC 770245279 BJJGCHOGTVOVKN-UHFFFAOYSA-N 313.470 -0.331 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 771604522 SVNWGPOUWBGXAC-JTQLQIEISA-N 306.278 -0.023 50 20 DBGD COc1ccccc1[C@](N)(C(=O)NNC(=O)CO)C(F)(F)F 776188752 LEFDNHBMQIEFGV-NSHDSACASA-N 321.255 -0.449 50 20 DBGD CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)CO 777782108 QHGWHYIUIWCMBN-SGDMMICCSA-N 301.368 -0.616 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)C(=O)[C@H]2C)cc1 778262210 ZOIIBAKBVSDTOQ-GFCCVEGCSA-N 318.377 -0.081 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cc(C(=O)N(C)C)ccn1 794275524 VAVPFRBJHMMRLS-UHFFFAOYSA-N 308.342 -0.502 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2C)cc1 801107441 XSUIOEAGVIOOPX-NSHDSACASA-N 318.333 -0.298 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 816814091 HYHDAIFGVUIBOZ-PTRXPTGYSA-N 319.317 -0.515 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)CNC(=O)c1cccs1 825274543 VQFUZMNMVGTFIX-MRVPVSSYSA-N 315.351 -0.713 50 20 DBGD O=C(CN1CCN(c2ccnc(F)c2)CC1)NNC(=O)C1CC1 831458180 JZBFKYSEYJHFOI-UHFFFAOYSA-N 321.356 -0.100 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cnc(Cl)n1C 842593499 VMVBWJOALYEQPN-RQJHMYQMSA-N 322.774 -0.192 50 20 DBGD CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 863869704 QOCFBZGKGMIOBX-ZDUSSCGKSA-N 320.154 -0.283 50 20 DBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)c1ccncc1 917895513 RRUPFUUGFHPQOE-UHFFFAOYSA-N 317.305 -0.065 50 20 DBGD O=C(NNC(=O)N1CCC[C@H](C(=O)NC2CC2)C1)c1cn[nH]c1 1118810104 DEHDIYJBBNFJFU-VIFPVBQESA-N 320.353 -0.245 50 20 DBGD Cc1noc(Cl)c1CC(=O)NNC(=O)CS(C)(=O)=O 1261835510 YEEMSDRAUPAMHE-UHFFFAOYSA-N 309.731 -0.629 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)N[C@@H]1CCS(=O)(=O)C1 1318854406 ZHMWEHMRJIBMJK-HTQZYQBOSA-N 307.397 -0.601 50 20 DBGD CC1(C)Cc2cccc(NC(=O)C(=O)NNC(=O)CCO)c2O1 1320685437 NGMUXWHSIAYWHA-UHFFFAOYSA-N 321.333 -0.132 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nnnn1C1CC1 1328131337 LPJUJLCDTIVUHX-APPZFPTMSA-N 309.330 -0.737 50 20 DBGD C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NNC(=O)c1cn[nH]c1 1328803253 BGEOBPWPDPHCTM-CMPLNLGQSA-N 322.369 -0.441 50 20 DBGD C[C@]1(CNC(=O)C(=O)N(CCN)CCO)C[C@H]1Br 1334720353 FSUUAJUFHQKEPJ-LDYMZIIASA-N 322.203 -0.944 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2c[nH]c(Br)c2)N1 1335329665 LYPVRMBIPRNJQK-LURJTMIESA-N 315.127 -0.183 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cn[nH]c1 1591784605 VEDLFRYQWXAKQM-UHFFFAOYSA-N 301.270 -0.699 50 20 DBGD Cc1csc(C(=O)O)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1600652319 MYIANYJDKIRPKT-SSDOTTSWSA-N 319.169 -0.008 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1C[C@@H](C(=O)O)C1 1601324100 OEHZKXWEJJWKQC-AOOOYVTPSA-N 320.305 -0.930 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)[C@H]2CCCCO2)n1 1606348700 GPDAYEAHRVZEPD-MRVPVSSYSA-N 311.298 -0.311 50 20 DBGD O=C(O)C[C@@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 1608703702 JCWMEVUXJBGPRT-LLVKDONJSA-N 309.152 -0.601 50 20 DBGD C[C@@H](C(=O)NNc1ccnc(F)c1)n1cnc(-c2nn[nH]n2)n1 1609069806 GICPLWDPXGKLRY-LURJTMIESA-N 318.276 -0.303 50 20 DBGD C[C@H](CN)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350593 LNHLORUUQUUQBL-NXEZZACHSA-N 303.790 -0.616 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCNC(=O)c1ccco1 109859011 WPKQKCNNVWYZGF-UHFFFAOYSA-N 305.294 -0.108 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2nc3nc(C)cc(C)n3n2)[nH]n1 153219498 ZUVVIRFUYNUZFK-UHFFFAOYSA-N 314.309 -0.153 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCO2 274100840 WPWISTNIRDYXGI-UHFFFAOYSA-N 322.321 -0.895 50 20 DBGD CCNC(=O)N(C)NC(=O)Nc1cnc(OC)c(C(N)=O)c1 275968264 AVTMRGCHCLZISP-UHFFFAOYSA-N 310.314 -0.113 50 20 DBGD CCN(C)C(=O)CNC(=O)NNc1ccc(-n2ccnc2)nn1 287344928 WAJRKMOGDJOXAK-UHFFFAOYSA-N 318.341 -0.233 50 20 DBGD COc1ccnc(NNC(=O)NCCn2cnc(C#N)n2)n1 288022797 YRVJBEKAKNNPHB-UHFFFAOYSA-N 303.286 -0.725 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNc1ncncc1F 292974700 ISELJYSILYVJLQ-UHFFFAOYSA-N 303.319 -0.157 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1ccccc1 298692828 SJMKMENNLBPFSS-UHFFFAOYSA-N 314.367 -0.430 50 20 DBGD O=C(Nc1ccnn1C[C@H]1CCOC1)c1cccc(B(O)O)c1 584938784 BZERKUVPRJTLLQ-LLVKDONJSA-N 315.138 -0.148 50 20 DBGD O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1cccc(B(O)O)c1 584997360 AUOWQIGDNYYPOB-STQMWFEESA-N 302.139 -0.750 50 20 DBGD NC(=O)[C@H]1CCCN(CCCNCc2ccc(B(O)O)cc2)C1 585022318 MACDDKWASBMALZ-AWEZNQCLSA-N 319.214 -0.957 50 20 DBGD Cn1nccc1N1CCC[C@@H](NCc2cccc(B(O)O)c2)C1 585039601 XOCZGRUDINYTDK-OAHLLOKOSA-N 314.198 -0.142 50 20 DBGD CC(=O)N1CCCc2ccc(S(=O)(=O)NCB(O)O)cc21 585055535 DQRDEIIDBMDZQK-UHFFFAOYSA-N 312.156 -0.724 50 20 DBGD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585057466 FGTNRQFTIKGUJN-SSDOTTSWSA-N 318.091 -0.029 50 20 DBGD O=C(Cc1cccc(F)c1)NCC(=O)N1CC[C@@H](B(O)O)C1 585077610 SGXHFNGWGOCBKX-LLVKDONJSA-N 308.118 -0.440 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCCn1cncn1 731545359 ZQHVPCYSMSIJMD-UHFFFAOYSA-N 304.310 -0.069 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](O)C2)cc1 744383814 DFKIJVUDSNGJFZ-CYBMUJFWSA-N 302.334 -0.224 50 20 DBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748246899 ZWROEXZDEHTJDN-SECBINFHSA-N 321.381 -0.090 50 20 DBGD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)CO 753444739 PVZFOZXSWBFHIE-MRVPVSSYSA-N 315.351 -0.729 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CC(=O)NNC(=O)CO)C1CC1 753444963 CUVIEZKPXXURME-SECBINFHSA-N 301.343 -0.181 50 20 DBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)CC)cn1C 760511544 YNOWIIASQZWTKD-UHFFFAOYSA-N 303.340 -0.079 50 20 DBGD CCCCNC(=O)NNC(=O)CNS(=O)(=O)CCCC 761147552 SXCSGZDTCBEMFI-UHFFFAOYSA-N 308.404 -0.164 50 20 DBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCCC2)n(C)c1=O 764813283 YOWRBBLEXXTJKP-UHFFFAOYSA-N 318.337 -0.520 50 20 DBGD CC(=O)c1cc(C(=O)NNC(=O)N2CCN(C)CC2)n(C)c1 773672400 IGWAMTZOMMKQMU-UHFFFAOYSA-N 307.354 -0.171 50 20 DBGD C[C@H]1C[C@H](N2CCOCC2)CN1CC(=O)NNC(=O)C1CC1 796373667 CHLXGIZLUPQLAH-AAEUAGOBSA-N 310.398 -0.661 50 20 DBGD CC(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccs1 801186603 WHYCTYHYXUSBMX-ZETCQYMHSA-N 313.335 -0.423 50 20 DBGD Cn1cc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)c(O)n1 814215503 QKWIJHDHEUJBOA-UHFFFAOYSA-N 312.293 -0.135 50 20 DBGD Cc1ccc(O)cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 816825271 XWNULHDLKFYKMJ-SECBINFHSA-N 312.347 -0.104 50 20 DBGD O=C(O)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1 819492584 PBEAOHGWWWWGAS-UHFFFAOYSA-N 305.294 -0.318 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 825465001 GAXMAEMTMYKFNT-UHFFFAOYSA-N 317.309 -0.846 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 827273265 GJYSEIMQPFUSTN-AEJSXWLSSA-N 319.383 -0.729 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c(O)n1 832675075 KSOIGNZKMYPCAV-BDAKNGLRSA-N 322.321 -0.393 50 20 DBGD C[C@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)NC(N)=O 847679119 XFLVVLPNDOJLMA-SSDOTTSWSA-N 317.346 -0.895 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](O)c1cnn(C)c1 854388634 RBTDLVBDPHVOBI-JTQLQIEISA-N 314.342 -0.610 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1cccc(Cl)n1 857324705 KPZLCRHXPRFKOA-UHFFFAOYSA-N 307.701 -0.328 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCOc1cccc(F)c1 863459020 LXIRHXRIQWMBGW-UHFFFAOYSA-N 318.326 -0.213 50 20 DBGD C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)CS(C)(=O)=O 863463933 ZMJLSBJOFYOWPZ-ZJUUUORDSA-N 306.384 -0.226 50 20 DBGD CC(C)NC1(CO)CCN(C(=O)c2cccc(B(O)O)c2)CC1 908612232 KOQZNHLUHIMVIM-UHFFFAOYSA-N 320.198 -0.669 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC 909994257 VVBQFHFGIRNNMM-QMMMGPOBSA-N 320.415 -0.007 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1n[nH]c(O)n1 918277630 GJNPGJXRRBFKSA-MRVPVSSYSA-N 305.250 -0.889 50 20 DBGD COCc1nc(C(=O)NNC(=O)CN2CCCC2=O)cs1 920864847 HCVKALZMKWECLV-UHFFFAOYSA-N 312.351 -0.327 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccc(CN(C)C)c1 1116186523 COUAHDTYGLBKEN-UHFFFAOYSA-N 308.338 -0.248 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C)C1CC1 1123926344 WLIOYZFMUSWOMP-NHCYSSNCSA-N 311.455 -0.332 50 20 DBGD COCCOC[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1261453130 VVPWXVOAWVXGFL-HBNTYKKESA-N 303.359 -0.207 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)C1CCC1 1318488073 FEAUFIIDSLUXKE-UHFFFAOYSA-N 303.322 -0.179 50 20 DBGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCl)CC1 1319674201 GFJOYFIOOMSXFY-NSHDSACASA-N 305.806 -0.089 50 20 DBGD CCn1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccc1=O 1320357505 CSKBFUDNCOWNQF-UHFFFAOYSA-N 306.322 -0.246 50 20 DBGD CCNC(=O)N(C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1320570836 WQGLXKKQAQDFLT-QXMHVHEDSA-N 309.326 -0.405 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 1325540957 YHLFNFGPQWJVHG-UHFFFAOYSA-N 318.293 -0.348 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cncn1 1342590408 IZYJQWNRCRVLIY-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD CN(C)N(C(=O)[C@@H]1C[C@]12CCCNC2)[C@H]1CCS(=O)(=O)C1 1578420386 IMYKOPYSRVVMCE-OBJOEFQTSA-N 315.439 -0.132 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCCCCN1 1579052391 JMWQQJDQQYJNDQ-NWDGAFQWSA-N 316.402 -0.100 50 20 DBGD O=C(NNC(=S)Nc1ccccn1)[C@@H]1NCc2n[nH]cc21 1580737035 HPMOOSBBSZMIHA-SNVBAGLBSA-N 303.351 -0.033 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1ccc(F)c(C(=O)O)c1 1599759160 JPKYUYRVJGMKEF-UHFFFAOYSA-N 319.314 -0.094 50 20 DBGD CCN(CCO)NC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 1604318807 HXFQUSDVDBDCJX-JTQLQIEISA-N 320.353 -0.021 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1604379972 JDBNPOXHZQVKCG-UHFFFAOYSA-N 312.311 -0.194 50 20 DBGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783046643 RLFCXRVCVBNDLB-MFKMUULPSA-N 300.742 -0.951 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)c1nccnc1N 22284633 GTRODOVPVIQDOY-UHFFFAOYSA-N 316.321 -0.060 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@H]1CCOC1 178757349 PDKRUKXZSBGHIP-JTQLQIEISA-N 303.322 -0.004 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 264596701 AIAYNLLOEBWSOM-UHFFFAOYSA-N 316.335 -0.332 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1cccnc1)C(C)C 265904644 PCRPFXCDWHLBLG-LBPRGKRZSA-N 308.338 -0.370 50 20 DBGD CC(C)[C@H](C(=O)NNc1ccc(C(N)=O)nn1)N1CCCC1=O 268198335 FYNLZORCKCEFAI-GFCCVEGCSA-N 320.353 -0.334 50 20 DBGD NC(=O)c1ccccc1CCC(=O)NNC(=O)N1CCOCC1 279434668 DSQIQJTYKFSYSK-UHFFFAOYSA-N 320.349 -0.209 50 20 DBGD CCCNC(=O)CNC(=O)NNc1ccc(-n2ccnc2)nn1 286348293 BHWXDYBEUWTCMN-UHFFFAOYSA-N 318.341 -0.185 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)CC(=O)N1 296401280 ZPMQMMZWTOHISF-SECBINFHSA-N 324.768 -0.079 50 20 DBGD O=C(NNc1nnc[nH]1)[C@@H]1COCC(=O)N1Cc1ccccc1 298432236 OUIXRLJGKXMIJT-NSHDSACASA-N 316.321 -0.325 50 20 DBGD N#C/C(=C\c1ccc(O)cc1)C(=O)NCCN1C(=O)CNC1=O 490873629 DNLYILMBNNCHEC-YRNVUSSQSA-N 314.301 -0.033 50 20 DBGD CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)C(C)(C)O)CC1 492504947 DGSKFROFLGLEPR-UHFFFAOYSA-N 301.343 -0.038 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(c2cnccn2)CC1 584928450 SKRJNXIKNWEFBA-UHFFFAOYSA-N 312.138 -0.881 50 20 DBGD CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccc(B(O)O)c1 584956265 ZKOQXMRHZSZGPU-UHFFFAOYSA-N 314.154 -0.356 50 20 DBGD CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cccc(B(O)O)c1 584979000 HVNAFXFYAOQGOM-ZDUSSCGKSA-N 304.155 -0.647 50 20 DBGD Cc1nnc(CCNC(=O)c2ccc(B(O)O)c(F)c2)s1 584992105 HSPMIKJUKLJSHM-UHFFFAOYSA-N 309.131 -0.362 50 20 DBGD C[C@@H](CNCc1cccc(B(O)O)c1)CN1CCN(C)CC1 585022137 JRXJVDNAIAAYKF-AWEZNQCLSA-N 305.231 -0.661 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)NCc1ccco1 733138174 ANMAQISVXRDDCD-UHFFFAOYSA-N 321.293 -0.950 50 20 DBGD CO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744834994 HDISLIWTVYNQEK-VIFPVBQESA-N 305.290 -0.103 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)C2(C(N)=O)CC2)c1 744996584 MYRQWODYXZWABF-UHFFFAOYSA-N 319.317 -0.435 50 20 DBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 749561893 HSASFZILRHCCDS-WDEREUQCSA-N 317.411 -0.557 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H](C)C1 763895541 NGGYAGIMOKTOGD-NXEZZACHSA-N 305.400 -0.701 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](CO)OC[C@H]2C)c1 777599461 KJGQKNJCVQGROE-OCCSQVGLSA-N 321.377 -0.162 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C#N 799833642 AIJOMFAKCYPSPY-VIFPVBQESA-N 324.362 -0.435 50 20 DBGD CC(C)C[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C(=O)O 818622973 GAECIYHTABVDQT-QMMMGPOBSA-N 314.342 -0.658 50 20 DBGD Cc1cccc2c1O[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)C2 823742658 SNXMEQJWNCVGHW-LLVKDONJSA-N 303.318 -0.275 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNc2ncncc2Cl)C1=O 823905753 LCKLXKRORFCABE-SSDOTTSWSA-N 312.717 -0.097 50 20 DBGD O=C(NNc1ccc([N+](=O)[O-])cc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830757653 RCTDHPDYAVQQAB-IJLUTSLNSA-N 309.278 -0.549 50 20 DBGD COCCNCCNC(=O)NNC(=O)Cc1ccccc1F 841967333 ACHVREIUISOMLE-UHFFFAOYSA-N 312.345 -0.065 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOC2CCCCC2)N1 858694058 FMGDDEINVOSIMT-NSHDSACASA-N 312.370 -0.055 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccncc1 858696887 PCJNVPVWQWPXMF-LLVKDONJSA-N 319.365 -0.032 50 20 DBGD C=CC(=O)N(C)CC(=O)NNC(=O)COCc1ccccc1 859489548 NSXGBFNIFCHKRW-UHFFFAOYSA-N 305.334 -0.005 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNCC(F)(F)C(F)(F)F 863095749 WCGJBUVKFBDXPZ-SCSAIBSYSA-N 313.248 -0.258 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)o1 863413904 UWAHDWFYKJIAMN-QMMMGPOBSA-N 301.324 -0.515 50 20 DBGD CON=Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 863459689 QYVOBWQMNSKKKV-UHFFFAOYSA-N 313.335 -0.528 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc2c1OCO2 863460429 WNVUORQSDGQAAD-UHFFFAOYSA-N 300.292 -0.779 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSC[C@H]1CCCCO1 863460572 CIRQNRPHFYEBNI-SECBINFHSA-N 324.424 -0.519 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](O)C(F)(F)F 863886398 YJMXSNSRFIHKEU-SSDLBLMSSA-N 309.024 -0.453 50 20 DBGD Cc1cc(CC(=O)NNC(=O)/C=C/CN2CCOCC2)n[nH]1 869016171 GPILWUHGINVZLN-NSCUHMNNSA-N 307.354 -0.704 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)C1CCOCC1 883118341 TYJADWYSZHJFKU-LLVKDONJSA-N 314.386 -0.536 50 20 DBGD C[C@@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)[C@H](C)C(=O)N1C 912004945 XBYUEAFZXITPHE-GMTAPVOTSA-N 304.155 -0.554 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(O)cc1C 919961048 PJWUTVHBHVWGFS-UHFFFAOYSA-N 303.296 -0.479 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2cccc(C#N)c2)nn1 1118830249 OWKKEONTCBYRQP-UHFFFAOYSA-N 313.321 -0.005 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CN1CCC(CO)CC1)C1CC1 1120753474 QWIXSHGMYLNBTI-SNVBAGLBSA-N 314.455 -0.016 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)C(=O)Nc1cnn(CC#N)c1 1254904974 IIADPUIYUZZXAN-UHFFFAOYSA-N 306.326 -0.071 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1c(C)cnn1CC1CC1 1320232873 SKJPYPABUJPUNZ-UHFFFAOYSA-N 309.326 -0.666 50 20 DBGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)[C@@H]1CCOC1 1321313163 USPUNPQIGAZJPT-VHSXEESVSA-N 324.337 -0.235 50 20 DBGD COC(=O)C[C@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1322739501 SRSVBFJYUKOSMN-LURJTMIESA-N 308.298 -0.289 50 20 DBGD Cn1cnn(CC(=O)NNc2ccc(C(C)(C)C)nn2)c1=O 1325108439 PGNGDHFOWUTASI-UHFFFAOYSA-N 305.342 -0.187 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ncncc2F)o1 1325151817 SKVUDUAFJYTORN-UHFFFAOYSA-N 315.286 -0.126 50 20 DBGD O=C(NNC(=O)c1ccc(-n2cnnc2)cc1)C(=O)NC1CC1 1325467437 KZVIRMWBNUZSLE-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnn(CCF)c1 1331625673 LJVPWTXUNHYRIW-UHFFFAOYSA-N 300.294 -0.516 50 20 DBGD CC(=O)Nc1cccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1331691890 QTDNDMZMIZTUGG-LBPRGKRZSA-N 318.333 -0.387 50 20 DBGD CCn1nc(C(=O)NNC(=S)NCCSC)ccc1=O 1341604448 JUHJTOWOKCNCDF-UHFFFAOYSA-N 315.424 -0.265 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 1342593606 ZMCIDKYVVQGYIM-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)N1CCNCC1=O 1575072781 XSEMXGPZKQKMFR-VIFPVBQESA-N 324.768 -0.079 50 20 DBGD COc1ccc(C(=O)CCC(=O)NNC(=O)CN)cc1OC 1579188898 REOCZJJXYAAEOJ-UHFFFAOYSA-N 309.322 -0.227 50 20 DBGD O=C1CC[C@@H](C(=O)NN=Cc2ccc(-c3nn[nH]n3)s2)N1 1593388528 RNFYHHIXASHGHE-ZETCQYMHSA-N 305.323 -0.343 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)COc1ccc(C#N)cc1 1593907975 DFMKLPXEJGGRCV-LLVKDONJSA-N 307.262 -0.816 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1600978483 DHYJCEQUDDQWMM-VIFPVBQESA-N 322.321 -0.891 50 20 DBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1C(=O)O 1603425781 UQWKSHPOUBEKLD-KCJUWKMLSA-N 309.102 -0.312 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cn1 1604420976 BFHMUSWEIFWBLQ-UHFFFAOYSA-N 306.286 -0.549 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNC(=O)[C@H]1CCCO1 1609535388 ITOKVPXFULNREL-LLVKDONJSA-N 316.321 -0.264 50 20 DBGD Cc1nc(N)sc1C(=O)NN=Cc1cn(CC(=O)O)nn1 1776029295 DLPBPUXTOVMVBZ-UHFFFAOYSA-N 309.311 -0.526 50 20 DBGD O=C(CN1CCC[C@@H](O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 48615468 RWGKJPCJMSLUGD-GFCCVEGCSA-N 322.321 -0.188 50 20 DBGD COCCCNC(=O)NNC(=O)CNC(=O)Cc1ccccc1 65208224 FLXIYUOIDJRFCY-UHFFFAOYSA-N 322.365 -0.288 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)c3cnn(C)c3)nc2n1 117682823 BHDBJXSOZLENJQ-UHFFFAOYSA-N 314.309 -0.451 50 20 DBGD O=C1CN(CCNC(=O)NNC(=O)c2ccccc2F)CCN1 273068012 ZCRYXQMEDWYXRG-UHFFFAOYSA-N 323.328 -0.799 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC2(CC1)COC(=O)N2 495292495 UYSGOPQNTPPJOL-UHFFFAOYSA-N 312.370 -0.246 50 20 DBGD CCOC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 495606714 WOEPEXKHTKJHAL-UHFFFAOYSA-N 319.314 -0.119 50 20 DBGD CCC(=O)N[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584973623 OSRKCTDIJJLUOD-JTQLQIEISA-N 308.118 -0.754 50 20 DBGD CC(=O)NCC[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584989798 JRQQTCRKYLRMQO-ZDUSSCGKSA-N 318.182 -0.255 50 20 DBGD CN1CCN(CCNCc2ccc(B(O)O)cc2F)CC1(C)C 585039295 PWRISTNMEYNIPW-UHFFFAOYSA-N 323.221 -0.379 50 20 DBGD Cn1c(C(F)(F)F)nc2cncc(C(=O)NCB(O)O)c21 585062839 NYDBYRXHKPBAAN-UHFFFAOYSA-N 302.021 -0.271 50 20 DBGD O=C(NCc1ccc2c(c1)CCO2)NNC(=O)C(=O)NC1CC1 726272349 JGXMVQWUXJPLME-UHFFFAOYSA-N 318.333 -0.270 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2COCCO2)c1 728949207 QDAFAYQUDSYVCM-GFCCVEGCSA-N 304.306 -0.082 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3CNC[C@@H]3C2)cc1 744389761 ZISJMPNMQUZKCT-OKILXGFUSA-N 313.361 -0.530 50 20 DBGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)C(=O)N1CCCC1 748240090 QBFWYMAITPZQSA-NSHDSACASA-N 313.354 -0.658 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCN(C2CC2)C1 748636736 XGPQXHRQFIXNCF-WDEREUQCSA-N 314.386 -0.395 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)[C@H]2CCNC2=O)c1 759425897 OZFHCLPHNFDVHY-LBPRGKRZSA-N 304.350 -0.424 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ncc(Cl)n1C 799478419 FOLSURJZPKAETF-ZCFIWIBFSA-N 307.763 -0.539 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)c1ncn(C)n1 809933578 LWTSOBKHIPLNNN-UHFFFAOYSA-N 305.294 -0.336 50 20 DBGD CC(=NNC(=O)CN(C)C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811641354 YWYHRLNEPZMADD-UHFFFAOYSA-N 303.322 -0.382 50 20 DBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 814546496 DVTPKUHMJKWJGI-SNVBAGLBSA-N 323.261 -0.554 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)C(=O)NC(C)C)CC2 845103188 LDPOBZCGBBBJMX-SNVBAGLBSA-N 307.354 -0.574 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@@H](C(=O)O)C2CCC2)cn1 854235705 DFIMEGOWJFKTSR-SNVBAGLBSA-N 309.326 -0.135 50 20 DBGD CCn1ncc(Cl)c1C(=O)NNC(=O)C(=O)N1CCCC1 857094595 ZGKVXHAHBKSEFT-UHFFFAOYSA-N 313.745 -0.060 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)CN1CCCC1 858277911 PTOOZAYEVGBMBO-GHMZBOCLSA-N 311.386 -0.673 50 20 DBGD CC(C)(C)[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858699306 NWXLJVGBXXJXBF-UWVGGRQHSA-N 312.370 -0.247 50 20 DBGD Cc1nc2ccc(NC(=O)NNC(=O)[C@H]3CCC(=O)N3)cn2n1 861051953 CIPWZJQWHXYRJS-SECBINFHSA-N 317.309 -0.531 50 20 DBGD CN(C)[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862451913 BIRNOEPSPDBYHF-AAEUAGOBSA-N 304.350 -0.285 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@@H]2CCCC[C@@H]2N1 862464278 WFAVPLHVAVQAIN-ZRUFSTJUSA-N 322.365 -0.893 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cn[nH]c1 862473319 NUEOAUFTADCFRL-SECBINFHSA-N 305.338 -0.038 50 20 DBGD COC(=O)[C@]1(C)CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 863886403 YNFZDIKSLDNQNJ-OAHLLOKOSA-N 323.129 -0.079 50 20 DBGD Cc1nnc(N2CCN(CC(=O)NNC(=O)C(C)C)CC2)n1C 879192807 RSHNQBDNPUKDBU-UHFFFAOYSA-N 323.401 -0.951 50 20 DBGD CC1(C)OC[C@H](CNC(=O)NNC(=O)C2CCOCC2)O1 883604488 YGXDHFSZAKHUGZ-JTQLQIEISA-N 301.343 -0.105 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn2c(=O)cc[nH]c12 1118278917 AISVTLUCTHHBII-SFYZADRCSA-N 305.294 -0.791 50 20 DBGD CCNC(=O)NNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1319724205 RTBAMGQVAWHSEB-UHFFFAOYSA-N 316.339 -0.272 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C2CCC2)n1 1331807812 UYPLVXFEYLLKAC-SNVBAGLBSA-N 305.338 -0.273 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1342639352 YLXWONNZOKBNPT-UHFFFAOYSA-N 308.294 -0.570 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n(C)n1 1345811341 GVJVVYVHJDVDJA-IUCAKERBSA-N 309.326 -0.761 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 1574103859 CGXHZGYSJFWJRE-GFCCVEGCSA-N 305.290 -0.043 50 20 DBGD C[C@@H]1[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@H]2CC[C@H]1N2 1576580183 UREQNNBNYOFTEU-GEVSDDDWSA-N 309.370 -0.876 50 20 DBGD CCCN1C[C@H](C(=O)NN(C)C(=O)N2CCNCC2)CC1=O 1577530264 IJQOWFWKVUCLJZ-LLVKDONJSA-N 311.386 -0.767 50 20 DBGD O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1cc(B(O)O)ccc1F 1601575218 XBZDVXDDCHHFGI-CMCSKWMBSA-N 307.086 -0.511 50 20 DBGD CC1(C)Cc2cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc2O1 1609821029 UTYSJFBIUCDIRO-UHFFFAOYSA-N 321.289 -0.429 50 20 DBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](C)O)C1 1846173859 QCYJPSJRRYAKLO-UWVGGRQHSA-N 304.774 -0.176 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CC1 8392352 MMKFBWNASRLBLU-UHFFFAOYSA-N 305.290 -0.503 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)[C@@H]1COc2ccccc2O1 32661456 MVKOEIAUQWSJDV-NEPJUHHUSA-N 308.290 -0.611 50 20 DBGD C=CCNC(=S)NNC(=O)c1cccc(-n2cnnn2)c1 41961112 FVRZSMAWLTYMRH-UHFFFAOYSA-N 303.351 -0.043 50 20 DBGD CC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 48823271 BJKDECOYWIYKBX-UHFFFAOYSA-N 303.315 -0.143 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)NCC)cc1 65190943 UPDPKEYRDLCULT-UHFFFAOYSA-N 314.367 -0.051 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1S 264175064 WMYLOEDRYXRFFN-ZCFIWIBFSA-N 318.380 -0.931 50 20 DBGD O=C(NC[C@@H]1CSCCS1)NNC(=O)C(=O)NC1CC1 268172193 VBISPMRUPAJKJE-MRVPVSSYSA-N 318.424 -0.556 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)CCc2ccccc2O)C1 276619811 NWBLMHASJUMWTK-UHFFFAOYSA-N 305.334 -0.050 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F 280084234 AFQOLZRSDMLCBR-SSDOTTSWSA-N 312.292 -0.459 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccnc3c2ncn3C)CC1 287989887 NZXKPIOCNLYMSQ-UHFFFAOYSA-N 317.353 -0.430 50 20 DBGD O=C1CCC[C@@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)N1 585055082 QQFUNPISVACRLR-NSHDSACASA-N 301.111 -0.372 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2c1OCO2 728433661 DNKVUYRUXCFSSY-MRVPVSSYSA-N 313.335 -0.197 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cn1 735445851 CKKWTHKLFATVMZ-LLVKDONJSA-N 319.365 -0.170 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)COc1ccccc1C#N 745846670 AGJKBGOOPQTFIE-QFIPXVFZSA-N 324.362 -0.354 50 20 DBGD CCN1CCN(CC(=O)NNc2cccc(C#N)c2)C(=O)C1=O 748040914 DWBMNJBOEZYPBZ-UHFFFAOYSA-N 315.333 -0.308 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2ccccn12 755699373 QIIKAFCWIFKRFB-VIFPVBQESA-N 309.351 -0.278 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccc(-n2ccnn2)c1 755774396 QFXDRXCYFIFXAN-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 756817717 YUCQEZVFJDFJAP-SECBINFHSA-N 320.305 -0.963 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C2CCC2)cn1 769631868 BWIJWEAUPIIEON-UHFFFAOYSA-N 313.335 -0.022 50 20 DBGD COC[C@H](C)CNC(=O)NNc1nc(O)c2cnn(C)c2n1 770400175 MIDFVWXXWPDARO-SSDOTTSWSA-N 309.330 -0.023 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)NCC2CC2)cn1 795300935 AJCRLHAIWIHIDS-UHFFFAOYSA-N 300.340 -0.007 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 826446569 QMZPYZKPVNLXCZ-SECBINFHSA-N 322.350 -0.256 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 826446570 QMZPYZKPVNLXCZ-VIFPVBQESA-N 322.350 -0.256 50 20 DBGD COCCO[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 827274020 LGNULQCSDLOQKQ-TUAOUCFPSA-N 315.370 -0.111 50 20 DBGD CN(CC(=O)NNc1nccc(N2CCOCC2)n1)C(=O)O 828115074 POUKTUVFNMODNF-UHFFFAOYSA-N 310.314 -0.634 50 20 DBGD O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCl)CC1 830389132 YTQRXXOPEXLGGJ-UHFFFAOYSA-N 309.819 -0.248 50 20 DBGD CC[C@@H](CNS(C)(=O)=O)NC(=O)NNC(=O)CC(C)C 838655624 HKJZWBZAIVUAHB-VIFPVBQESA-N 308.404 -0.309 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)[C@H]1CCO[C@H]1C 843276359 BJUKXRYBZODCCD-IUCAKERBSA-N 303.384 -0.140 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 843980906 YCXPURKARRWQRN-APPZFPTMSA-N 320.305 -0.402 50 20 DBGD Cc1ccccc1NC(=O)NNC(=O)C1(S(N)(=O)=O)CC1 846062605 IQYBFNZCRCAHCE-UHFFFAOYSA-N 312.351 -0.031 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3c(nc2O)CCCC3)N1 862453918 APYGTCSVRUUSNZ-NSHDSACASA-N 318.333 -0.294 50 20 DBGD O=Cc1cccc(OCCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862455272 NUVLMZCCLAIFMP-GFCCVEGCSA-N 319.317 -0.306 50 20 DBGD O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)[C@@H]1CCC(=O)N1 862458969 KVNHEUKQBSLJPL-NSHDSACASA-N 301.306 -0.469 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)c1cccc(B(O)O)c1 863871543 RRQUQHZIYZLYNE-UHFFFAOYSA-N 308.143 -0.379 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1c[nH]nc1I 911445611 ZMMAQAYLNRDDEX-RXMQYKEDSA-N 324.122 -0.028 50 20 DBGD O=C(CN1CSCCSC1)NNC(=O)c1cn[nH]c1 912978457 SEFRNXHERLJGFJ-UHFFFAOYSA-N 301.397 -0.132 50 20 DBGD CN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O 914919454 CNYJTGSKNHNUNY-LLVKDONJSA-N 319.317 -0.531 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)S(C)(=O)=O 916148310 VMILNRKNJDEKSR-VIFPVBQESA-N 324.362 -0.163 50 20 DBGD O=C(NNC(=S)NC1CCOCC1)C(=O)N1CCCC1 1115967931 IDLJYNWDJPXKAK-UHFFFAOYSA-N 300.384 -0.717 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1nc(CCOC)no1 1116339727 LGIZGOKPUAGDOA-VIFPVBQESA-N 313.358 -0.364 50 20 DBGD COCCC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1319547077 ADAJUMSFFIFGJC-SECBINFHSA-N 304.368 -0.615 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 1320244963 DWKCITYHEWCSCL-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccn(-c2ccncc2)n1 1322018916 WMIJIISEQDBYJV-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD Cc1cc(Cl)cnc1NC(=O)C(=O)NNC(=O)CCO 1324280744 BGHDPKVETBQNEI-UHFFFAOYSA-N 300.702 -0.488 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1conc1COC 1324751241 LMLIOHRSHCXASY-UHFFFAOYSA-N 312.326 -0.113 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331881195 HAJKGNFVRVBYFI-LDYMZIIASA-N 305.338 -0.734 50 20 DBGD O=C(NNC(=O)[C@H](F)C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 1343895086 JLUXDNXXZRZMRZ-UHNVWZDZSA-N 321.252 -0.596 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cc[nH]n1 1351063077 CSGNHHLEFHKTFJ-SSDOTTSWSA-N 318.380 -0.909 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1n[nH]cc1Br 1520857453 ZXJQIBVIIVWATA-UHFFFAOYSA-N 318.131 -0.141 50 20 DBGD CC(C)(C(=O)NNC(=O)Cc1cccnc1)n1ccc(N)n1 1575092212 HXOQEGLBETZWOD-UHFFFAOYSA-N 302.338 -0.015 50 20 DBGD CCO[C@H]1C[C@@](N)(C(=O)NNC(=O)COCCOC)C1(C)C 1578090266 HCGXAISFLUZGGW-IINYFYTJSA-N 317.386 -0.671 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1590335973 GXMWYDPEKDMDMJ-SVRRBLITSA-N 305.298 -0.619 50 20 DBGD COC(=O)CNC(=O)NN=C1CCN(CCC(=O)O)CC1 1598865642 ZXCSYQBFUKZHJK-UHFFFAOYSA-N 300.315 -0.615 50 20 DBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)Cc2cccnc2)n1 1600936635 ZXXRPNPJDXYZLT-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)C(=O)N(C)C)n1 46969950 SRXIAUGLOZPWMZ-JTQLQIEISA-N 310.358 -0.693 50 20 DBGD CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)CN(C)C 75653129 SNDNGGRYVAMGPQ-GFCCVEGCSA-N 310.354 -0.257 50 20 DBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 117679353 SAZQHHFFAGPEMZ-NSHDSACASA-N 307.354 -0.028 50 20 DBGD CNC(=O)CCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 272637795 WUMWEUSFOHVXDM-LBPRGKRZSA-N 321.333 -0.110 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)OC)n1C 294084382 LMIWSZCJTZIQSG-UHFFFAOYSA-N 312.326 -0.208 50 20 DBGD CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNC(=O)CO 368271945 KMBFPLJAPJVJDW-CYBMUJFWSA-N 305.334 -0.338 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@@H](C1CC1)N1CCOCC1 584913472 XNFJBYUZOSCBHI-CQSZACIVSA-N 304.155 -0.584 50 20 DBGD COCCN(C(=O)c1cc(B(O)O)ccc1F)[C@H](C)COC 584945043 FOVOVOYGCIYKHU-SNVBAGLBSA-N 313.134 -0.371 50 20 DBGD O=C(NCCCOC[C@H]1CCOC1)c1cccc(B(O)O)c1 584949015 FSQZBUMXLJKAMS-GFCCVEGCSA-N 307.155 -0.461 50 20 DBGD COc1cc(OC)cc([C@H](O)CNCc2ccc(B(O)O)o2)c1 585024363 VFAVNZSUJRPUCQ-CQSZACIVSA-N 321.138 -0.200 50 20 DBGD Cn1cc(C(=O)C(=O)NNC(=O)COc2ccccc2F)cn1 726765103 CTTCDQGBZQPTIO-UHFFFAOYSA-N 320.280 -0.032 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 738474651 DXVFIFBCPJQIBU-NSHDSACASA-N 301.306 -0.267 50 20 DBGD CC(C)NC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 745139400 IKBYQULURCRYEP-UHFFFAOYSA-N 317.371 -0.383 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@@]12CCC(=O)N1CCS2 747428166 HTYAGJAVGJPRSB-AWEZNQCLSA-N 320.374 -0.163 50 20 DBGD CC(=O)NNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748360370 UHDSXDJNIXGLDI-UHFFFAOYSA-N 309.282 -0.439 50 20 DBGD O=C1C[C@H]2CC[C@@H](CN1)N2CC(=O)NNC(=O)c1ccccc1 748828492 KVDMJBKGWUEWKN-OLZOCXBDSA-N 316.361 -0.200 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCc3nnc(C)n3C2)n[nH]1 750796391 WCANUJHRFWEFAO-VIFPVBQESA-N 303.326 -0.358 50 20 DBGD CN(C)CCNC(=S)NNC(=O)CNC(=O)c1ccco1 751029688 XRUKKHPRAQHIOM-UHFFFAOYSA-N 313.383 -0.934 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)CO)c2ccccc12 753438533 FNYCGYGMIVTITR-UHFFFAOYSA-N 305.290 -0.432 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)[C@]1(CO)CCOC1 763892250 CYKVJDFNXSWRFL-HNNXBMFYSA-N 307.350 -0.469 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1Br 764429152 OLIKGRZIQJFSBG-UHFFFAOYSA-N 316.111 -0.473 50 20 DBGD CCNC(=O)N(C)NC(=O)c1c(C)oc(C)c1S(N)(=O)=O 768413329 PSUADEJYRVYOBM-UHFFFAOYSA-N 318.355 -0.150 50 20 DBGD Cc1nnc(O)c(C(=O)NNC(=O)N2CCN(C)CC2)c1C 773658284 LVVNUTQHFXRHGF-UHFFFAOYSA-N 308.342 -0.599 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ccnc(F)c1 781358453 VJMXULCAWAJRRT-UHFFFAOYSA-N 303.257 -0.251 50 20 DBGD Nc1ncc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 781585300 DYJNVFCEVXBYEA-UHFFFAOYSA-N 309.293 -0.202 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)S(C)(=O)=O 790062869 BIVPLCAYDZBMMU-QMMMGPOBSA-N 310.372 -0.644 50 20 DBGD COc1coc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1=O 802025549 BIXCGRRUBXIFSQ-UHFFFAOYSA-N 304.262 -0.068 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CN(CC)CCO1 805475830 CQZRIAATHHEMSL-NXEZZACHSA-N 301.343 -0.804 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc3ccccn23)CC1 807378357 AKVFUCOQEZVNEZ-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD CNC(=O)NCC(=O)NNC(=S)NCCc1cccs1 819427016 FAYQICCPAWVLSG-UHFFFAOYSA-N 315.424 -0.285 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)CC2 826115030 ZZTVJBZIDWJCSM-IEBDPFPHSA-N 322.369 -0.343 50 20 DBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)c1ccccn1 849161670 PGIFPHBWKMDGFU-ZDUSSCGKSA-N 306.347 -0.092 50 20 DBGD CCOCC(=O)NNC(=O)NCCc1nnc(S)n1CC 854157339 IEPCWSWEZYUZAG-UHFFFAOYSA-N 316.387 -0.504 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CC[C@@H]1C(N)=O 854285215 JGODHYPVFGEZNH-DTWKUNHWSA-N 302.400 -0.628 50 20 DBGD Cc1ccccc1COCC(=O)NNC(=O)C(=O)NC1CC1 856741093 FNCPVYKCTGKVAW-UHFFFAOYSA-N 305.334 -0.062 50 20 DBGD CC(C)(C)OCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858610947 KWGSHWCKNNIBEJ-SECBINFHSA-N 300.359 -0.199 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)N1 858697747 VKBXDGMESIPHEL-MWLCHTKSSA-N 320.353 -0.392 50 20 DBGD O=C(NC[C@H]1COCCN1)NNc1ccc(-n2cccn2)nn1 861682433 YFDWAZRYMWPQAL-JTQLQIEISA-N 318.341 -0.723 50 20 DBGD O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)[C@H]1CCC(=O)N1 862458104 XLLRMZULJPIUMC-MNOVXSKESA-N 309.297 -0.325 50 20 DBGD COc1cccc(C[C@H](O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862461301 NGYHSOWBGCJOCM-RYUDHWBXSA-N 321.333 -0.975 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863203150 BLJWIUMAIFUTFJ-ZJUUUORDSA-N 313.427 -0.755 50 20 DBGD COC(=O)CC1(NC(=O)c2ccc(B(O)O)cc2)CCOCC1 863877040 QELVVVRNZDIBNV-UHFFFAOYSA-N 321.138 -0.792 50 20 DBGD CCN1C(=O)[C@@H]2CN(S(=O)(=O)CCCCl)CCN2C1=O 881975936 RZIOJIVHSFIUJI-VIFPVBQESA-N 323.802 -0.087 50 20 DBGD CN(NC(=O)C1CCN(c2ccc3nncn3n2)CC1)C(N)=O 1116500218 GAVSVTYDEFDQLS-UHFFFAOYSA-N 318.341 -0.618 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=S)NCc1ccon1 1253072028 VORMPLZOXMWLKV-UHFFFAOYSA-N 323.334 -0.307 50 20 DBGD Cc1ncncc1C(=O)NNC(=O)CNC(=O)c1ccco1 1318142081 XIGIRUNIXLCMAJ-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 1319174399 XZRMFWBLQOHWAV-UHFFFAOYSA-N 304.328 -0.707 50 20 DBGD O=C(CO)NNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 1320378752 YCIFIEKKXPKGER-UHFFFAOYSA-N 301.306 -0.102 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1323944961 NTSZZLFSUCMBIB-SNVBAGLBSA-N 324.385 -0.423 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)o1 1334095365 JNICKWYBJCGVAZ-UHFFFAOYSA-N 309.278 -0.550 50 20 DBGD Cn1nncc1NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 1334723157 MNEQDSWVUDGFKT-JTQLQIEISA-N 315.337 -0.298 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)c2ccccc2Cl)c1=O 1337073435 QKEDDXHISFNVTO-UHFFFAOYSA-N 309.713 -0.304 50 20 DBGD Cn1c(C(=O)O)cc(Br)c1C=NNC(=O)CO 1341838842 RDZSAAKBRIPZMO-UHFFFAOYSA-N 304.100 -0.072 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1cc(-c2nn[nH]n2)cc(N(C)C)c1 1590001641 ZIABUBMMVPXNJD-SECBINFHSA-N 319.369 -0.110 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2coc(-c3nn[nH]n3)c2)n[nH]1 1591958553 OEHZPNIIWPUSIN-UHFFFAOYSA-N 316.281 -0.505 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCSCC(=O)O 1604833199 BBEGZLAXBJAIEY-YUMQZZPRSA-N 305.356 -0.440 50 20 DBGD CNC(=O)CC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1841561017 GXTVAYNITZDYPN-JTQLQIEISA-N 305.737 -0.140 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)Cc2cnn(C)c2)C[C@H](C)O1 111545263 FQGYXAPGWDCQCC-RYUDHWBXSA-N 323.397 -0.391 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(Cc2noc(C)n2)CC1 114465637 ONDNWFLRMXMRHO-SNVBAGLBSA-N 324.385 -0.558 50 20 DBGD O=C(NCC1CC1)NNC(=O)c1cnc2n(c1=O)CCS2 139379180 KHJYCTRJIYFHRJ-UHFFFAOYSA-N 309.351 -0.297 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)Cc2cccnc2)CC1=O 264040685 RJTBQTKKIKRFJP-LBPRGKRZSA-N 320.349 -0.734 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 264146139 PHRQJKJXSHIZJY-MRVPVSSYSA-N 315.351 -0.606 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCC2)o1 264815859 WKQNUPFANXKWMU-UHFFFAOYSA-N 301.324 -0.251 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1 270361052 BRKNYLQRIVDYKS-UHFFFAOYSA-N 302.312 -0.023 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c(O)cccc1F 274564631 AKGKJTCUHKTEQU-SSDOTTSWSA-N 316.310 -0.273 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1cccc(F)n1 287300814 JOISMVLFKYKWRH-UHFFFAOYSA-N 305.335 -0.214 50 20 DBGD NC(=O)c1cccc(OCCC(=O)NNC(=O)[C@@H]2CCCO2)c1 294574187 GZLMZXSCRLCQGH-LBPRGKRZSA-N 321.333 -0.119 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)ccc1O 299423949 IZSLZZFVLNPVAB-UHFFFAOYSA-N 317.323 -0.357 50 20 DBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNc2nc[nH]n2)cc1 491221650 YNNNLOHVIHJCSF-UHFFFAOYSA-N 320.334 -0.527 50 20 DBGD O=C(NC[C@H](O)COCC1CC1)c1cc(B(O)O)ccc1F 584962847 RSKYMFAMSUNPPN-NSHDSACASA-N 311.118 -0.977 50 20 DBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](O)C(F)(F)F 584969246 SIKJCIUJYLRHPQ-UWVGGRQHSA-N 305.061 -0.202 50 20 DBGD Cc1nc([C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)n[nH]1 584998483 ADEDLFPJMSVKFE-NSHDSACASA-N 300.127 -0.577 50 20 DBGD C[C@@H]1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC(=O)N1 585053295 CYMBUXGQZOVARE-PSASIEDQSA-N 301.111 -0.202 50 20 DBGD C[C@H]1Oc2ccccc2N(CC(=O)N2CC[C@H](B(O)O)C2)C1=O 585070429 ZVLYODDTORGVCP-MNOVXSKESA-N 318.138 -0.124 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@H](B(O)O)C1)C2=O 585074164 JFWBTTHAICDMED-JTQLQIEISA-N 316.122 -0.334 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)Cc1cccnc1 728892351 URFPDXVCHHYBEI-UHFFFAOYSA-N 321.381 -0.772 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2sccc2-n2cnnn2)cn1 735445124 IONOSTNUXFEINI-UHFFFAOYSA-N 318.322 -0.468 50 20 DBGD CCOCC(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 736609721 RAFCDGNGVOFPIY-NSHDSACASA-N 319.325 -0.950 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccccc1S(N)(=O)=O 740705098 GXZZWRSZZNXWAA-UHFFFAOYSA-N 321.380 -0.701 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)Cn1ccnc1 748454271 QYVKQSWOZHQSIS-MNOVXSKESA-N 313.358 -0.347 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)[C@H]1COc2ccccc2O1 750015635 IBDWTKYHDURMCR-LLVKDONJSA-N 317.305 -0.275 50 20 DBGD CS[C@@H](C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 756949943 QBLYZISWBQMHTA-YUMQZZPRSA-N 309.413 -0.355 50 20 DBGD CCO[C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)C 758030604 REULSLJREHPXAZ-UWVGGRQHSA-N 323.415 -0.477 50 20 DBGD CC(C)(CNC(=O)NNC(=O)C(=O)NC1CC1)c1ccncc1 768981432 PENWSPMHCALRSK-UHFFFAOYSA-N 319.365 -0.032 50 20 DBGD CCc1nn(C)cc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 770601477 ISHMPMDKNZUTOY-JTQLQIEISA-N 313.383 -0.197 50 20 DBGD NC(=O)N1CCC[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 773860737 IQJPHDLKDYZYIV-ZCFIWIBFSA-N 313.749 -0.054 50 20 DBGD Cn1cnn(CC(=O)NNc2ncnc3ccsc23)c1=O 778901447 AGNKZNPLJFHSSB-UHFFFAOYSA-N 305.323 -0.270 50 20 DBGD COC[C@](C)(NS(=O)(=O)CBr)C(=O)OC 782470621 FONAWZFPUDNRJX-ZETCQYMHSA-N 304.162 -0.164 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(C)(C)S(=O)(=O)C2CC2)cn1 786196760 KMHLHAJAQNSBEW-UHFFFAOYSA-N 314.367 -0.463 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)C1CCCC1 811909745 KJZIAJDRJDKAJN-UHFFFAOYSA-N 306.388 -0.602 50 20 DBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 812533943 GDPVEQNMERXHRZ-GUBZILKMSA-N 321.399 -0.578 50 20 DBGD O=C(NNc1ccccc1[N+](=O)[O-])C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 816918331 XQSDVOSFHMWJOO-IJLUTSLNSA-N 309.278 -0.549 50 20 DBGD CCN(CCO)NC(=O)c1cccc(S(=O)(=O)NC)c1 823833850 LOQGRTKUULGYLF-UHFFFAOYSA-N 301.368 -0.446 50 20 DBGD O=C1CC[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)N1 826480211 USDBCTGXMLEREU-LURJTMIESA-N 322.716 -0.363 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCCCN2)n1 841922840 SJRIOHHELUZBGP-GFCCVEGCSA-N 308.386 -0.028 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 843655043 HNVWIEHKQMKWCW-IVZWLZJFSA-N 304.368 -0.474 50 20 DBGD CO[C@](C)(C(=O)O)C(=O)NNc1nc2ccccc2c(=O)n1C 852946690 ZCMCSDVFVMVZQJ-AWEZNQCLSA-N 320.305 -0.134 50 20 DBGD COC(=O)NC(C)(C)C(=O)NNC(=O)N1CCN(C)CC1 854379349 YFWYSAQBALKEFV-UHFFFAOYSA-N 301.347 -0.891 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnc2[nH]nnc2c1 854385777 DPNHZBNGWXXYFA-UHFFFAOYSA-N 322.325 -0.097 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]1CCCCO1 854682654 DJIZXRUHQMTTMB-DTWKUNHWSA-N 307.372 -0.969 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO[C@H]1C1CC1 858365372 MNAYXXLCZILGJK-ITDIGPHOSA-N 324.381 -0.199 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)N1 858593460 CRBKYKSGAVZQOW-UTUOFQBUSA-N 323.397 -0.388 50 20 DBGD CCCOc1cccnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458341 CWFMJLUEGKTMAV-VIFPVBQESA-N 306.322 -0.090 50 20 DBGD CCON1CCC(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 862462011 SSWZYEKCCUQKCU-LLVKDONJSA-N 312.370 -0.534 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc2c(c1)OCO2 862463188 ZSBNJKMHJJKZLI-WPRPVWTQSA-N 319.317 -0.055 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O 916148309 VMILNRKNJDEKSR-SECBINFHSA-N 324.362 -0.163 50 20 DBGD O=C(Cn1cccnc1=O)NNC(=O)c1ccc(Cl)nc1 918597353 UWQUMDJWQZYBJA-UHFFFAOYSA-N 307.697 -0.247 50 20 DBGD CN1CC[C@H]1CNC(=O)NNC(=O)Cc1cn2ccccc2n1 925410614 JLQMUEIVHQMLFP-LBPRGKRZSA-N 316.365 -0.089 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cnnc2[S@@](C)=O)c1 1319112076 FQTYFCOHLGYBIJ-JOCHJYFZSA-N 321.362 -0.215 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1ncnn1C 1320680667 MIAMJZIOBQONIP-IUCAKERBSA-N 314.346 -0.742 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccnc(O)c1 1322325519 HJYWWMCOZAWIRE-SNVBAGLBSA-N 312.351 -0.003 50 20 DBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1323780271 HCVPFMHHFBMDLC-SECBINFHSA-N 322.321 -0.243 50 20 DBGD Cn1nc2ccccc2c1C(=O)NNC(=O)C(=O)N1CCCC1 1324106068 GLDHPHBKDCPIGR-UHFFFAOYSA-N 315.333 -0.043 50 20 DBGD CC(C)c1nocc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1329625359 FHMJTYAWBLUHMU-QMMMGPOBSA-N 315.351 -0.006 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)CC2 1331804409 VIPZINKIEJRPLU-MWLCHTKSSA-N 305.338 -0.820 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)C(=O)N1CCCC1)CCC2 1332055036 VDCOFWDHNTUOEZ-UHFFFAOYSA-N 305.338 -0.708 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@H](C)c2nnnn2C)cc1 1346639971 MFZQVTAIHALRTQ-MRVPVSSYSA-N 319.325 -0.076 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=S)NCC1CCC1 1352422827 DVDGEDPIFNAHIR-JQWIXIFHSA-N 311.455 -0.330 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CNCC2(CCOCC2)C1 1578099442 DZNNABZBXYWDNF-LLVKDONJSA-N 314.386 -0.488 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCNC[C@@H]1c1ccncc1 1580812836 DVCKZDRPEBVGPV-OAHLLOKOSA-N 311.150 -0.452 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1590365332 DSNUECXIERBMAT-LURJTMIESA-N 321.297 -0.703 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)n1 1601220462 HENOMIFZRZMXNQ-UHNVWZDZSA-N 301.690 -0.213 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)cc1C 50532723 XACXHOJDKDPWEK-UHFFFAOYSA-N 301.324 -0.096 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)C[C@@H](C)O1 263669091 HTJIIYNZMPDQPW-AOOOYVTPSA-N 324.337 -0.141 50 20 DBGD O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)C(=O)NC1CC1 267940480 TYSJHVVNNWLTON-UHFFFAOYSA-N 320.305 -0.047 50 20 DBGD COC(=O)N(C)NC(=O)CSCC(=O)NN(C)C(=O)OC 286388298 OMFPCXPJITXEJY-UHFFFAOYSA-N 322.343 -0.822 50 20 DBGD CNC(=O)NCCC(=O)NNc1nc2ccccc2c(=O)n1C 294703200 JDRUUTVRGFEHEP-UHFFFAOYSA-N 318.337 -0.304 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CS(C)(=O)=O)c1 299053994 KVCUKMFBADGDSC-UHFFFAOYSA-N 314.363 -0.126 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 369048989 ZGJMGAJBTCPDKO-QWRGUYRKSA-N 322.369 -0.026 50 20 DBGD COCCN1CCC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584944063 YVBBSCLVDOUIDQ-LBPRGKRZSA-N 324.161 -0.654 50 20 DBGD CCOCCN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584946879 ZRJSYUKNFWTWIG-UHFFFAOYSA-N 324.161 -0.700 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCN1C[C@@H](C)O 584953742 XGHZNWGZBOVDQK-WDEREUQCSA-N 324.161 -0.967 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 584986498 FYRKZJWITVWCGX-SNVBAGLBSA-N 316.126 -0.790 50 20 DBGD NC(=O)N1CCC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584990080 OEAZXHJZOFILOW-SECBINFHSA-N 323.133 -0.974 50 20 DBGD CN(C)C(=O)[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 585002560 YPLYBDAZVRCGIX-VIFPVBQESA-N 308.118 -0.944 50 20 DBGD O=C(CNCc1ccc(B(O)O)o1)NCCc1ccccc1 585021481 LLBPVXAWZILEHJ-UHFFFAOYSA-N 302.139 -0.592 50 20 DBGD CCN1CCN(C[C@@H](C)CNCc2ccccc2B(O)O)CC1 585021675 BSUHGTTZMHAGHD-HNNXBMFYSA-N 319.258 -0.270 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 736847667 IVGNXYPBMOCBIG-LLVKDONJSA-N 315.337 -0.421 50 20 DBGD COc1ccc2c(c1)C(=NNC(=O)C(=O)NC(C)C)C(=O)N2 744812515 NCRKMZIYLXABGZ-UHFFFAOYSA-N 304.306 -0.008 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2nonc2N)c1 744870538 WSALJIOGXMPNGY-UHFFFAOYSA-N 319.277 -0.422 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCSC[C@H]1CC(=O)OC 747659791 SQZXXKBJFPFUEU-NXEZZACHSA-N 317.411 -0.087 50 20 DBGD CCCc1nnc(S)n1CC(=O)NNc1nccn(C)c1=O 747937577 INAABRHGNMWUHW-UHFFFAOYSA-N 323.382 -0.244 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC([C@@H](O)C(=O)OC)CC1 749534752 CHPSTUJNSWHWHY-JOYOIKCWSA-N 315.370 -0.822 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1 751210331 CUHQXKMAFWRHQO-SSDOTTSWSA-N 312.351 -0.850 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CC(=O)N(C)C[C@H]2C)n1 793228062 IXUUEIKCBKXKQJ-SNVBAGLBSA-N 305.338 -0.093 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)c1ncn(C)n1 810007465 JKGCXVUETSIZES-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 823946781 OLGFQNUYOGBRRA-MNOVXSKESA-N 317.386 -0.034 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)N2CCOCC2)[C@@H]2CCCC[C@H]2N1 824621914 YOILHHKFLGICRI-SDDRHHMPSA-N 324.381 -0.246 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2nc(O)[nH]c2n1 843972565 USCMDLWUCQWYHH-RQJHMYQMSA-N 305.294 -0.151 50 20 DBGD CC1=C(C(=O)NN=c2cc[nH]cc2)[C@H](C)n2nnnc2N1C 847689992 FTOZLIBTXGVGIF-VIFPVBQESA-N 300.326 -0.082 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CN1C(=O)CN(C)C1=O)C1CC1 855101719 DIJNCRZVHUANCW-SSDOTTSWSA-N 313.383 -0.826 50 20 DBGD C[C@H](NNC(=O)CN(C)S(=O)(=O)N(C)C)C(F)(F)F 862320149 PMKLKUFNRQWPHX-LURJTMIESA-N 306.310 -0.704 50 20 DBGD CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450805 BJKSHUYZTDJOSU-NXEZZACHSA-N 324.381 -0.551 50 20 DBGD Cc1ccc(F)c(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 863412032 FWRSDZWPHZQJAW-SECBINFHSA-N 315.326 -0.278 50 20 DBGD Cc1ccsc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863414244 YGTNSNVLNWRTLA-ZETCQYMHSA-N 303.365 -0.355 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)N1 863414376 UJDFHRFNPUFHBZ-GFCCVEGCSA-N 323.374 -0.237 50 20 DBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 910179842 FUSMDVSVLCSXJP-CXWACVEQSA-N 307.350 -0.863 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ncc2n1CCCC2 913730491 XKQPTBIHBZTBAT-UHFFFAOYSA-N 305.338 -0.397 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2 1317732439 SYTWNSQHKHCVOC-UHFFFAOYSA-N 320.305 -0.697 50 20 DBGD N#CC1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 1318132646 FOKSKUUIBPMJAT-UHFFFAOYSA-N 319.321 -0.014 50 20 DBGD COC[C@H](NC(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1319620889 YQLHXRUHBOXSCT-JTQLQIEISA-N 321.337 -0.225 50 20 DBGD C#CCCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319893087 IINMJEGTSNWLEG-SNVBAGLBSA-N 301.368 -0.303 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CCN(C)C2=O)CC1 1321277179 HMOWUGRFSOWWGM-LLVKDONJSA-N 310.398 -0.123 50 20 DBGD Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=O)C(N)=O 1322489281 TXTBGORVOBUGHP-UHFFFAOYSA-N 307.232 -0.395 50 20 DBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1ncn(C)n1 1326354770 UETLICFJUMBILW-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@H]1CCC(=O)NC1 1330119107 MCCCTKDRYDZWBS-SNVBAGLBSA-N 316.427 -0.223 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1F 1343340516 MMQVJXOXZGFPAM-UHFFFAOYSA-N 301.205 -0.776 50 20 DBGD C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C[C@H](O)CN1 1573600183 ACISWSIONFGLMS-BONVTDFDSA-N 321.333 -0.668 50 20 DBGD Cc1c(Br)c(C(=O)NNC(=O)CCCN)nn1C 1579516328 KQYBEUNHDJPQPT-UHFFFAOYSA-N 318.175 -0.009 50 20 DBGD CC(C)(C)c1csc(NC(=O)C(=O)NNC(=O)C(=O)O)n1 1590537083 PJQKPHACDIBEEC-UHFFFAOYSA-N 314.323 -0.389 50 20 DBGD Cn1c(C(=O)O)c(C=NNC(=O)C(N)=O)c2cc(F)ccc21 1776016124 XQRXHOUYZOLUCZ-UHFFFAOYSA-N 306.253 -0.049 50 20 DBGD C[C@@H]1CN(C)C[C@H](C(=O)NN=Cc2ccc(C(=O)O)nc2)O1 1776092193 CELCUHHGUQEBMV-BXKDBHETSA-N 306.322 -0.051 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC(C)C)cc1 63270269 VRWQXHNISSHQPW-UHFFFAOYSA-N 314.367 -0.053 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 106417309 ZJKIASYHSRMIOV-LLVKDONJSA-N 307.354 -0.109 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)CCCc2ccccc2)c1=O 181464174 CXZOGCCCHBZZRP-UHFFFAOYSA-N 317.349 -0.248 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)cc1 298319740 VRBJKSLSUVJBKY-LLVKDONJSA-N 305.334 0.000 50 20 DBGD Cc1cccc(=O)n1CCCCNCc1ccc(B(O)O)o1 585020479 YOSTXVWLKNVRKR-UHFFFAOYSA-N 304.155 0.000 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)N1CC[C@@H](B(O)O)C1 585070023 VEBKBGPJBDAOTP-MRVPVSSYSA-N 318.185 -0.898 50 20 DBGD COC(=O)NCCC(=O)OCC(=O)NNC(=O)c1ccccc1 733544039 GFDBKJGXYRPVHJ-UHFFFAOYSA-N 323.305 -0.263 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 735516057 GTLBTNSJVYUCSE-UHFFFAOYSA-N 317.305 -0.385 50 20 DBGD CC(C)C(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742476511 FEELCOZEJMATST-CNVPUSNMSA-N 323.349 -0.658 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)N1CCOCC1)N1CCCC1=O 751386070 FQKWWUXFOONHFO-GFCCVEGCSA-N 312.370 -0.294 50 20 DBGD O=C(CO)NNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 753440737 XKRLTHHEVCIVGY-UHFFFAOYSA-N 305.250 -0.466 50 20 DBGD CC(C)Oc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)n1 755160501 FDYVMOZEMUHONG-UHFFFAOYSA-N 306.322 -0.092 50 20 DBGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)CO)c1 756228515 NGZDMHVPTQVNOT-MRVPVSSYSA-N 310.310 -0.195 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2cnn(C)c2)n1 756645948 MHNZVKUXPNHHIK-UHFFFAOYSA-N 321.297 -0.744 50 20 DBGD COCC(=O)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 761818985 UXSVWMBHBHNENP-UHFFFAOYSA-N 318.333 -0.058 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2cccc(C#N)c2)nn1 763038311 IOKSUFOQBZRYAU-SECBINFHSA-N 314.305 -0.336 50 20 DBGD CO[C@@]1(CNC(=O)NNC(=O)Cc2ccncc2)CCOC1 763711825 VAXGQZSHTQXNGR-CQSZACIVSA-N 308.338 -0.240 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@]1(O)CCSC1 765832410 QZLJKUFBNHGCRQ-LBPRGKRZSA-N 303.384 -0.693 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)Cc2cncn2C)c1 807116482 LZAJNXYAFSLJOG-UHFFFAOYSA-N 316.321 -0.223 50 20 DBGD C#CCOCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 823850025 HYQRUPXNNZWMPM-UHFFFAOYSA-N 314.305 -0.332 50 20 DBGD O=C(NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1)C(=O)N1CCCC1 833148888 AMMPUOBTAQSBFT-NXEZZACHSA-N 311.338 -0.353 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)n[nH]1 843841375 AYQXVJFKQFIMKI-NSHDSACASA-N 305.338 -0.120 50 20 DBGD CCOC(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 847283259 FQZFTBDVOSQXNI-UHFFFAOYSA-N 307.372 -0.175 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)Cc1ccncc1 852661499 VIHYAAGJDDPYMM-UHFFFAOYSA-N 309.326 -0.347 50 20 DBGD CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450807 BJKSHUYZTDJOSU-VHSXEESVSA-N 324.381 -0.551 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)N1 862454020 BLMWBDNHGGYGBQ-ONGXEEELSA-N 307.281 -0.445 50 20 DBGD CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863412337 DCXCTAXUWJBDPR-NXEZZACHSA-N 321.399 -0.723 50 20 DBGD COC(=O)[C@@H](NC(=O)COc1ccc(B(O)O)cc1)C(C)C 863865974 OGOPEMBEDMQCPN-ZDUSSCGKSA-N 309.127 -0.941 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CSCCS2)N1 875360659 KEKWWZPAVKRKBD-YUMQZZPRSA-N 318.424 -0.556 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCn1cncn1 899890312 XSSIZOYKVRKKDN-UHFFFAOYSA-N 300.388 -0.458 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NN(C)CCOC)C1 908116032 VYAZMIBHQQWIGC-GFCCVEGCSA-N 301.387 -0.129 50 20 DBGD CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1cccc(B(O)O)c1)C2 909785750 YHIQORDUBPASRS-WHOFXGATSA-N 302.183 -0.174 50 20 DBGD CC(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 913173132 NRSDEEHGXPQZBJ-UHFFFAOYSA-N 307.278 -0.590 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 919676595 GUEDALPCGXEIED-UHFFFAOYSA-N 301.280 -0.600 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 920458760 YVJDOPGCGJODND-SSDOTTSWSA-N 311.260 -0.419 50 20 DBGD CC(C)c1ncc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]1 1318673494 JZMVQIMWHZPROC-QMMMGPOBSA-N 314.367 -0.271 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1ncnn1C 1320793818 YTVVPRNJYIZAPM-SECBINFHSA-N 303.326 -0.156 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCCCS(N)(=O)=O 1326830638 BELJPJXFEROHFV-VHSXEESVSA-N 321.399 -0.592 50 20 DBGD O=C(NNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1cn[nH]c1 1331536912 MPBYCURXIZKGNE-UHFFFAOYSA-N 320.353 -0.245 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(C(N)=O)nc1 1345742955 VLKYABGSOSPPHY-PSASIEDQSA-N 321.337 -0.564 50 20 DBGD CN[C@H](C(=O)NNc1nc(C)cc(OC)n1)c1cnn(C)c1 1346029863 UHNHVUPSDRSFHQ-NSHDSACASA-N 305.342 -0.069 50 20 DBGD CN(CCNC(=O)NNC(=O)C(=O)O)Cc1ccc(F)cc1 1598491412 VJCCKIMINFMKEY-UHFFFAOYSA-N 312.301 -0.328 50 20 DBGD Cn1cc(C(=O)NNC(=O)/C=C\c2ccc(C(=O)O)o2)nn1 1605481384 XGRSDPCVHSCJEX-HYXAFXHYSA-N 305.250 -0.419 50 20 DBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)c2cc[nH]n2)n1 1608786705 PLOUYILGJLVQRC-UHFFFAOYSA-N 304.266 -0.102 50 20 DBGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CN)C1 1842878283 OAYYVOJWUNJMCM-MRVPVSSYSA-N 304.188 -0.068 50 20 DBGD CNC(=O)CC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843362402 SPBFGACXNVBTOQ-JTQLQIEISA-N 305.737 -0.140 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)c1 265682214 JNVYRMDGJGTIQQ-GFCCVEGCSA-N 320.349 -0.065 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)c1cnn(C)c1 276163517 GFBKJHJLLWFWEB-UHFFFAOYSA-N 319.321 -0.553 50 20 DBGD COCCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 282639722 GOEBMLJNFKZOQD-UHFFFAOYSA-N 309.322 -0.256 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 289567694 QBZGIJOUYRSYFT-SGMGOOAPSA-N 322.365 -0.301 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)CCS(C)(=O)=O)c1 298738155 VJOSMYVVJBCRGE-UHFFFAOYSA-N 314.363 -0.044 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)C(=O)N2CCCC2)cn1 493203170 HUKCXFRQJVYJIF-PLNGDYQASA-N 319.321 -0.732 50 20 DBGD COC(=O)N(C)NC(=O)CCCS(=O)(=O)N1CCCC1 495623515 AAYBRIMXIGBRIS-UHFFFAOYSA-N 307.372 -0.078 50 20 DBGD NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584961387 RCWOEBFWTHMRPG-CABZTGNLSA-N 308.118 -0.721 50 20 DBGD O=C(N[C@@H]1CCn2ccnc2C1)c1ccc(B(O)O)c(F)c1 584973038 COSCBHUYCUPPAD-SNVBAGLBSA-N 303.102 -0.553 50 20 DBGD CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(B(O)O)c(F)c1)C2 584996546 KMSPXMCPKNUYAX-RYUDHWBXSA-N 306.146 -0.140 50 20 DBGD O=C(NC1CC1)[C@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585023118 GOMDLRPGVGMPLM-JQWIXIFHSA-N 306.171 -0.114 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)COc2ccccc2O)CC1=O 730781661 WMWZSJCMCFWRJZ-SNVBAGLBSA-N 321.333 -0.213 50 20 DBGD O=C(O)NCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 739937950 JIOBEMUTHVLGNL-UHFFFAOYSA-N 319.281 -0.919 50 20 DBGD C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745992442 ACHINDKWGRLNMP-NSHDSACASA-N 320.349 -0.122 50 20 DBGD CC(C)NC(=O)CCNC(=O)NNC(=O)Cc1ccncc1 747493665 CMQNYXMGQQXMLQ-UHFFFAOYSA-N 307.354 -0.131 50 20 DBGD Cc1cnn(CC(=O)NNC(=O)CNC(=O)c2ccco2)c1 751202940 KDUVRLNMQJPAOK-UHFFFAOYSA-N 305.294 -0.638 50 20 DBGD CC[C@@H](NC(=O)NNC(=O)C1CCC1)C(=O)N1CCOCC1 753046513 IVMOPEDBWCYMGT-LLVKDONJSA-N 312.370 -0.246 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1Cc2ccccc2C1 761422368 WDPVZVKYUSHUBF-LBPRGKRZSA-N 322.386 -0.017 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)nc1 770223826 SARQYHJQHROEPX-UHFFFAOYSA-N 315.355 -0.656 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(F)cn1 770606959 OLFBOHUGESDIJW-QMMMGPOBSA-N 302.331 -0.001 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(Cn2cncn2)CC1 778219565 IFAQDBGCKUEAMF-LLVKDONJSA-N 308.386 -0.064 50 20 DBGD N#Cc1cccc(NNC(=O)NCCN2CCNC(=O)C2)c1 781410529 QDIOQPWAZQBXKP-UHFFFAOYSA-N 302.338 -0.384 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCCS1(=O)=O 798313186 BNRHVXKJOFELBF-ZCFIWIBFSA-N 317.289 -0.154 50 20 DBGD CCn1nc(C(=O)NNC(=O)N=c2cc[nH]cc2)ccc1=O 802027638 PNLPPEMFUPGKEX-UHFFFAOYSA-N 302.294 -0.453 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 824449006 MBNYZYBQAYRZBL-QMMMGPOBSA-N 324.366 -0.010 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCNC(=O)c1ccco1 825617043 BLBYCLYKGAHUSR-VHSXEESVSA-N 324.337 -0.235 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(C)(C)C1CC1 825732617 ZAJULRLDSLNLRS-QMMMGPOBSA-N 305.400 -0.102 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCc2nnnn2CC1 827187586 GNFVFNWLINOFJC-AEJSXWLSSA-N 323.357 -0.867 50 20 DBGD CCOC(=O)COCCNC(=O)NNC(=O)[C@H]1CCCCO1 836576742 GWDNXFKJRJBQMB-SNVBAGLBSA-N 317.342 -0.534 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CS(=O)(=O)C1CCCC1 843643843 JETJEFVKUQHQQB-ONGXEEELSA-N 318.395 -0.084 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ncc(OC)cn1 854285553 MVDLOWAGFJYGCE-UHFFFAOYSA-N 313.383 -0.027 50 20 DBGD CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858477806 YAEVTYCMDUVGOT-GHMZBOCLSA-N 313.402 -0.284 50 20 DBGD C=CC(=O)N(C)CC(=O)NNC(=O)C(C)(OCC)OCC 861576690 NDPWTIMLGUTHCA-UHFFFAOYSA-N 301.343 -0.433 50 20 DBGD Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862459170 OEKPIKJIIKPORC-MRVPVSSYSA-N 306.278 -0.057 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccnn1CC(F)F 913732891 MSHCETVZWWKUIY-UHFFFAOYSA-N 315.280 -0.468 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 918321340 FXEASGZCYCWDAA-UHFFFAOYSA-N 309.307 -0.717 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cn[nH]c1 919954603 NBJQMYJTOGMAAG-UHFFFAOYSA-N 320.334 -0.011 50 20 DBGD NC(=O)c1cc(CNC(=O)NNC(=O)c2ccccc2)on1 1116364258 ZYFGAIJVBNCPMT-UHFFFAOYSA-N 303.278 -0.082 50 20 DBGD CCCOc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1116623821 YGYCQZFDDDRQAQ-UHFFFAOYSA-N 309.322 -0.056 50 20 DBGD COc1ccnc(NNC(=O)C(=O)Nc2cccnc2OC)n1 1116670164 YYJRNOFFJPJIML-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1cccnn1 1254614203 CTKFJIDIXFXEDD-MRVPVSSYSA-N 302.381 -0.160 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1noc(C)n1 1261104399 QFXJZHZDUDTAOM-HTQZYQBOSA-N 315.330 -0.179 50 20 DBGD O=C(NNC(=S)NC[C@@H]1CCOC1)C(=O)N1CCCC1 1319391690 SLAPYQYBCJJXEF-VIFPVBQESA-N 300.384 -0.859 50 20 DBGD COC(=O)NNS(=O)(=O)c1cnn(C2CCOCC2)c1 1319392148 XGYXLAVMQKBBJA-UHFFFAOYSA-N 304.328 -0.216 50 20 DBGD Cc1cnccc1CCNC(=O)NNC(=O)C(=O)NC1CC1 1322982917 IDFYDCUFQOSVKG-UHFFFAOYSA-N 305.338 -0.458 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)N[C@H]1CCCS(=O)(=O)C1 1323844062 DRCSMLYDURXRAF-LURJTMIESA-N 317.289 -0.154 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 1323966276 CNSMHNBKBZVFPC-UHFFFAOYSA-N 306.278 -0.103 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)c(F)c1 1326758673 JBZLUGBTOVACFR-UHFFFAOYSA-N 304.303 -0.094 50 20 DBGD CCn1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)nn1 1330141342 FFJMZMNPFOHJMD-NSHDSACASA-N 316.387 -0.821 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)OC)cc1 1337974703 OAVNWWXIHBOISX-UHFFFAOYSA-N 324.293 -0.403 50 20 DBGD C[C@@]1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCCOC1 1342052367 YBRKOOYJPBXOIJ-CQSZACIVSA-N 306.322 -0.016 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnn2CC(F)F)N1 1348387688 NGRCTSXILZYNLB-ZCFIWIBFSA-N 301.253 -0.812 50 20 DBGD C[C@H](C(=O)O)n1cccc1C=NNC(=O)CS(C)(=O)=O 1589539952 MVDGLKLOBYJPBB-MRVPVSSYSA-N 301.324 -0.372 50 20 DBGD Cn1nncc1NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1592613530 XNKRKJBISJTHAW-UHFFFAOYSA-N 314.313 -0.450 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)[C@H]1CC[C@@H](C(=O)O)C1 1594783163 UOEWXHCHGHRLBR-IVZWLZJFSA-N 321.337 -0.511 50 20 DBGD CCc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(C(=O)O)c1 1597540032 ODUUDIJPIHHHFL-UHFFFAOYSA-N 323.305 -0.585 50 20 DBGD CN(C)N(C(=O)c1cc(C(=O)O)no1)[C@H]1CCS(=O)(=O)C1 1598257984 WGAVJNNYWSHKEH-ZETCQYMHSA-N 317.323 -0.521 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1C(=O)O 1610604702 JKCIDSYGVLCKQY-UHFFFAOYSA-N 308.294 -0.391 50 20 DBGD C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795510809 BMBNZRCMRSXSIR-NZFPMDFQSA-N 321.780 -0.295 50 20 DBGD O=C(NNc1ncc(F)cn1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 123159291 HLNNOWBZCVVTKK-ZETCQYMHSA-N 305.273 -0.165 50 20 DBGD CSc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 273374374 FSAUQQYSPBHFNE-ZCFIWIBFSA-N 321.380 -0.300 50 20 DBGD COC(=O)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 276028885 ZAFYLOYCILGAAR-WDEREUQCSA-N 311.338 -0.185 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 276264872 NTCOPUTUWOXATL-GFCCVEGCSA-N 319.361 -0.047 50 20 DBGD COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccccc1 276601391 LMTHAMWMGNNMMY-VXGBXAGGSA-N 321.333 -0.944 50 20 DBGD CCCc1csc(NC(=O)C(=O)NNC(=O)CN(C)C)n1 279361108 HLWDIOHUJHVRKN-UHFFFAOYSA-N 313.383 -0.257 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ncn(C)n2)C[C@@H](C)O1 289640283 WONZDDRVZAGUTC-AOOOYVTPSA-N 310.358 -0.925 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNc2ncncc2F)CC1=O 294015263 MXLNHLOULSCFAM-SECBINFHSA-N 310.333 -0.531 50 20 DBGD O=C(CN1C[C@H]2C[C@H]1C(=O)O2)NNC(=O)c1ccc(F)cc1 298049492 DZNAODSETVMRBA-MNOVXSKESA-N 307.281 -0.414 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)N1 298079397 VCZVIMYSUJVVEY-KWQFWETISA-N 305.290 -0.748 50 20 DBGD CN(CCCNC(=O)C1CCC1)C(=O)c1ccc(B(O)O)cc1 584984224 YSKONKHDQRZXAD-UHFFFAOYSA-N 318.182 -0.255 50 20 DBGD CN(C)C1CCN(CCNCc2ccccc2B(O)O)CC1 585033439 FNZLHTHTRKVHSD-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD O=S(=O)(NCB(O)O)c1ccnn1CCc1ccccc1 585057099 LEYLLIYNGFRSJL-UHFFFAOYSA-N 309.156 -0.584 50 20 DBGD CN(C)N(C(=O)CCSCC(=O)O)[C@@H]1CCS(=O)(=O)C1 737370686 QAQBTWPFMQYWFD-SECBINFHSA-N 324.424 -0.313 50 20 DBGD CCCN(CC(=O)NNC(=O)C(C)(C)C)CC(=O)N(C)C 744390141 SIJRFRXBYHYFBY-UHFFFAOYSA-N 300.403 -0.020 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)cc1OC 746092138 GCHLDULPEWKKOI-ZDUSSCGKSA-N 323.349 -0.205 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@H]1CCOC1 752253416 RVSLNKBPZOYGAR-JOYOIKCWSA-N 307.306 -0.054 50 20 DBGD CC(C)(CO)CCCNC(=O)NNC(=O)C(=O)N1CCCC1 754916586 RCAHKYDLUBHFFM-UHFFFAOYSA-N 314.386 -0.262 50 20 DBGD CC(C)N(CC(N)=O)CC(=O)NNC(=O)c1cccc(C#N)c1 756485466 GHELRGFRYMZUTM-UHFFFAOYSA-N 317.349 -0.485 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1F 768261101 ZZDIPKMKCRLCJE-UHFFFAOYSA-N 319.314 -0.995 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 771606581 RLXQCJRUOBWNBA-UHFFFAOYSA-N 316.317 -0.078 50 20 DBGD COc1cccc(NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)n1 781024412 YVAPBHSHTSRHMI-PRHODGIISA-N 308.338 -0.191 50 20 DBGD Cn1nc(SCC(=O)NN=CC2(C)CC2)c(=O)n(C)c1=O 782184637 KHHCQQZTDDLDAI-UHFFFAOYSA-N 311.367 -0.527 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](OC)c1cnn(C)c1 798774581 QEUCNHXOVKAUCO-KCJUWKMLSA-N 312.326 -0.403 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)CCOCCO)c1 800508486 WVAZSGYWFGRNKK-UHFFFAOYSA-N 309.366 -0.303 50 20 DBGD COC(=O)C[C@@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 805819455 QORQDNPHJAUIBS-SNVBAGLBSA-N 315.370 -0.556 50 20 DBGD CN1CCN(C(=O)NNC(=O)CN(C)[C@H]2CCSC2)CC1 807381561 YUJQJRHSODHVSJ-NSHDSACASA-N 315.443 -0.588 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)[C@H](C)OCCOC)cn1 807516339 NFQJEFAEPPZVNY-JTQLQIEISA-N 313.358 -0.215 50 20 DBGD COc1ncc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)s1 812227275 WWBAPXVJKNZLGM-ZETCQYMHSA-N 318.380 -0.028 50 20 DBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 812533942 GDPVEQNMERXHRZ-AEJSXWLSSA-N 321.399 -0.578 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ncncc1F 817079075 HEAGEONEFBBSBC-MRVPVSSYSA-N 303.319 -0.517 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N(C)CCS(C)(=O)=O 827289422 SSLUWEWTTVWRMX-RKDXNWHRSA-N 307.372 -0.871 50 20 DBGD O=C(NCC1CC1)NNS(=O)(=O)c1csnc1C(=O)O 833140982 ROMPTBHLARGRAY-UHFFFAOYSA-N 320.352 -0.256 50 20 DBGD O=C(NNc1cnnc2ccccc12)[C@H]1CCS(=O)(=O)N1 846634704 FOABXNBZZQTARL-SNVBAGLBSA-N 307.335 -0.235 50 20 DBGD COCCOCCNC(=O)NNC(=O)c1cccc(F)n1 852010387 XJKYRHLRGQLYST-UHFFFAOYSA-N 300.290 -0.172 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2cnnn2C)C1 857271537 PNIJAPOLRPTXQL-SECBINFHSA-N 316.387 -0.680 50 20 DBGD Cc1cccc([C@@H](O)CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858697487 SWPLJWWIURLMCP-RYUDHWBXSA-N 320.349 -0.363 50 20 DBGD CCN(Cc1ccccn1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858697990 VSSSJCPONCUXBD-LLVKDONJSA-N 305.338 -0.077 50 20 DBGD Cc1ccc(F)c(CC(=O)NNC(=O)CS(C)(=O)=O)c1 863465358 CGLVIQSSPRIFHT-UHFFFAOYSA-N 302.327 -0.131 50 20 DBGD COC(=O)[C@H]1CC12CCN(C(=O)c1cccc(B(O)O)c1)CC2 863872187 BLHCVHMLBNUYKH-CYBMUJFWSA-N 317.150 -0.218 50 20 DBGD O=C(CO)NN=Cc1ccc(OCCN2CCOCC2)cc1 872362390 PJQZWNFBPYXVTN-UHFFFAOYSA-N 307.350 -0.160 50 20 DBGD COc1cc(C(=O)NNC(=S)NCCSC)ncn1 935196213 GKOYTEOYBAJLJX-UHFFFAOYSA-N 301.397 -0.043 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(C(F)F)n(C)n2)CC1 935860222 IHCLMBUXRYMAKU-UHFFFAOYSA-N 316.312 -0.041 50 20 DBGD Cn1ncc2cc(C(=O)NNC(=O)C(=O)N3CCCC3)cnc21 1116185860 AZDJRMUOJYVADY-UHFFFAOYSA-N 316.321 -0.648 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1118126965 XNMLZEXWTJJJHL-FIQHERPVSA-N 315.370 -0.064 50 20 DBGD COc1ccnc(NNC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)n1 1123693626 BQJFVNKGNXTIHI-GHMZBOCLSA-N 323.401 -0.254 50 20 DBGD CC(C)NC(=S)NNC(=O)CCSc1nnnn1C 1317909092 KKEWLDMVKJRWDS-UHFFFAOYSA-N 303.417 -0.404 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1 1320599371 DMMVROZEDUYPPF-UHFFFAOYSA-N 308.294 -0.989 50 20 DBGD CCc1nc(NC(=O)C(=O)NNC(=O)CCO)sc1C 1326721075 RHYYVTPPNOQXQG-UHFFFAOYSA-N 300.340 -0.518 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2c(c1)nnn2C 1345813109 RRYCKDATVDKWAJ-UHFFFAOYSA-N 319.325 -0.401 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1cccc(C#N)c1 1345895751 ZFMYDMJMOXXHJZ-FZMZJTMJSA-N 313.361 -0.292 50 20 DBGD O=C(/C=C/[C@@H]1CCCNC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1580493905 MZZHZPQVDMNEAU-SEUFLZDSSA-N 315.395 -0.876 50 20 DBGD CC(C)N1CCC(CCNC(=O)NNC(=O)C(=O)O)CC1 1591611288 MKBWCLIIYUIQHE-UHFFFAOYSA-N 300.359 -0.088 50 20 DBGD O=C(NC1(C(=O)O)CCSCC1)c1ccc(B(O)O)cc1 1601430783 CUJYGHAMFQCBJT-UHFFFAOYSA-N 309.152 -0.553 50 20 DBGD CN1CCN(S(=O)(=O)CBr)C[C@@H](C(=O)O)C1 1606244665 IDYRNVGJPGGTHN-ZETCQYMHSA-N 315.189 -0.383 50 20 DBGD NC(=O)CN1CCC(NS(=O)(=O)CBr)CC1 127294546 ZIJJZLSIRIQHKJ-UHFFFAOYSA-N 314.205 -0.792 50 20 DBGD Cc1ccn(C)c1C(=O)NNC(=O)CNC(=O)c1cccnc1 189757345 ALBKYQXJQNEHET-UHFFFAOYSA-N 315.333 -0.080 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2cccc([N+](=O)[O-])c2)C1=O 269602535 IZGFRCPAABAYSD-UHFFFAOYSA-N 307.266 -0.068 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccncc1F 273681874 FZRLEPOYOHUBQR-ZCFIWIBFSA-N 319.318 -0.689 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 298202597 UYWDJFMXJSMAFH-OAHLLOKOSA-N 318.333 -0.071 50 20 DBGD NC(=O)C[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584955641 SLCMEXFFPJCNJU-SECBINFHSA-N 308.118 -0.767 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(N2CCOCC2)CC1 585005186 AJZFAYFFJMUQQH-UHFFFAOYSA-N 318.182 -0.697 50 20 DBGD CCN1CCN(CCCCNCc2ccc(B(O)O)o2)CC1 585015983 PMHQIFVFNWASSC-UHFFFAOYSA-N 309.219 -0.533 50 20 DBGD O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H](B(O)O)C1 585068486 BODVNJMHSPBDOG-CABCVRRESA-N 318.182 -0.037 50 20 DBGD O=C(CCn1ccnc1)NNC(=O)CNC(=O)c1ccco1 725739976 ATXJTVTUKKODID-UHFFFAOYSA-N 305.294 -0.556 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 729275156 MHNPOQPYUXSDTD-NAKRPEOUSA-N 317.411 -0.102 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)cn1 735512950 LVKJFEAGTIRJGJ-RYUDHWBXSA-N 306.370 -0.009 50 20 DBGD NC(=O)Nc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1 745987795 GPSBWKFKVJHQLT-UHFFFAOYSA-N 307.310 -0.136 50 20 DBGD Cc1cc(S(C)(=O)=O)cc(C(=O)NNC(=O)CO)c1C 753442591 JBUXRLPAUCRALK-UHFFFAOYSA-N 300.336 -0.540 50 20 DBGD CC(C)c1ocnc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758027785 AKXWYPKKAKOJFA-ZETCQYMHSA-N 318.355 -0.503 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)NCC1CC1 770893285 NHSXKXCMKLPALZ-VIFPVBQESA-N 320.415 -0.309 50 20 DBGD COCCNC(=S)NNC(=O)CNC(=O)OC(C)(C)C 777919482 VCCRLVNRQFPIAZ-UHFFFAOYSA-N 306.388 -0.347 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)N1CCC(C(=O)OC)CC1 782476941 BWWNPIJVDXXFFF-UHFFFAOYSA-N 322.387 -0.718 50 20 DBGD COc1ccc(CCC(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 814220431 XEDQOIMBYCHDEH-UHFFFAOYSA-N 318.289 -0.534 50 20 DBGD Cc1c(C(=O)NNC(=O)c2ccc[nH]2)nnn1-c1ccn(C)n1 814378079 JVFNNTYAAOTQSP-UHFFFAOYSA-N 314.309 -0.288 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 831748463 CVOSPWXDOXPXDQ-DTWKUNHWSA-N 318.337 -0.081 50 20 DBGD O=C(O)CCCN1CCC(=NNC(=O)[C@H]2COCCO2)CC1 833226940 VLRDUUAYQPUOQK-GFCCVEGCSA-N 313.354 -0.165 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)c1cnn(C)c1 843973250 YAKRAKVOXAVTRR-KOLCDFICSA-N 308.338 -0.045 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCCCO1 846230378 HJDQPWLBIOVLMX-UWVGGRQHSA-N 304.368 -0.472 50 20 DBGD COC[C@@H](OC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 850202395 WWPDKQGWRYDUSJ-VHSXEESVSA-N 304.343 -0.227 50 20 DBGD CN1CCN(c2ncc(C=NNC(=O)c3cc[nH]n3)cn2)CC1 853393243 YZBNWDWNBRAZTR-UHFFFAOYSA-N 314.353 -0.285 50 20 DBGD O=C1N[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCO1 858122525 WNDQDXIIVNMRNL-KCJUWKMLSA-N 321.289 -0.528 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)(C)C 858265315 UKJRPYNYMJGKPL-BDAKNGLRSA-N 300.359 -0.344 50 20 DBGD Cc1[nH]ccc(=NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1Cl 860899229 UUSLENOIBUJTBI-QMMMGPOBSA-N 311.729 -0.103 50 20 DBGD Nc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862455855 JUDAJKJEDDMLDG-SSDOTTSWSA-N 307.266 -0.783 50 20 DBGD CC[C@@H](C)n1nc(C(=O)NNC(=O)CS(C)(=O)=O)cc1C 863464334 LPWUPUSLRTXKCF-MRVPVSSYSA-N 316.383 -0.032 50 20 DBGD COc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1C 863467148 OTIYGJVDZDWVET-UHFFFAOYSA-N 300.336 -0.191 50 20 DBGD OB(O)c1ccc(CNC[C@H]2COC3(CCOCC3)O2)cc1 863891032 IVTUAEXRXTVWJU-AWEZNQCLSA-N 307.155 -0.622 50 20 DBGD CC1(C)OCC(NC(=O)NNC(=O)C2CCOCC2)CO1 883613405 ATSHYXPYDCQPLM-UHFFFAOYSA-N 301.343 -0.105 50 20 DBGD CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1cc(B(O)O)ccc1F)C2 909785576 WMUUWEVGOPCEAJ-PGUXBMHVSA-N 320.173 -0.034 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)CN(C)C(C)=O)c1 914712710 RYHXCTJZJFUMKF-UHFFFAOYSA-N 309.322 -0.057 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN[C@H]2C(=O)NCC2(C)C)cc1 931661159 OMMHPTYPYVQWCW-ZDUSSCGKSA-N 318.377 -0.130 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 1116936407 FZZVGIWEWTYVMG-UHFFFAOYSA-N 314.305 -0.275 50 20 DBGD COCCC(C)(C)CNC(=O)NNC(=O)C(=O)NC1CC1 1254794483 VUEYPULGQCYNAX-UHFFFAOYSA-N 300.359 -0.342 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2cccc(C#N)c2)n[nH]1 1320231691 ANTGXQCWKOMQHJ-UHFFFAOYSA-N 312.289 -0.011 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H](O)c1cccnc1 1322049745 SEZYFKVRKIRDJS-LBPRGKRZSA-N 318.289 -0.715 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cc(C)nn1C 1323740255 MUADMLYUVJNOED-JTQLQIEISA-N 313.358 -0.390 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 1326364034 NSUURSWUMZNGKJ-IVZWLZJFSA-N 307.354 -0.508 50 20 DBGD Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1330167539 DFJAFYFXJUNBGN-LURJTMIESA-N 303.340 -0.413 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNc3cnnn3C)CC2=O)cn1 1330247439 XJMSDXBFMFGHTR-MRVPVSSYSA-N 304.314 -0.955 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)NCC(F)(F)F)nn2c1 1330805728 KWEHHLPAIMORSA-UHFFFAOYSA-N 317.231 -0.061 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(Cc2cn[nH]c2)CC1 1331383503 HBIWZDHLUVIZSI-NSHDSACASA-N 308.386 -0.527 50 20 DBGD Cc1noc(C)c1CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331520411 MDYHKGQRDKNBDB-SNVBAGLBSA-N 309.326 -0.557 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCC(CS(C)(=O)=O)CC1 1348411381 LZIPVEBGNZTBQO-UHFFFAOYSA-N 324.424 -0.262 50 20 DBGD CCn1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCCO2)n1 1350156654 ZIICSFHSFOTJFV-SECBINFHSA-N 309.326 -0.442 50 20 DBGD O=C(NNC(=O)C1(O)CNC1)c1ccc(Br)cc1 1574334036 KDUDOJDGWRAQLX-UHFFFAOYSA-N 314.139 -0.456 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2NCCOc3ccccc32)N1 1580843688 MPJHQFDMHGOVMO-MFKMUULPSA-N 318.333 -0.864 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1598139778 FPORTGSRAUJLHM-UHFFFAOYSA-N 312.307 -0.279 50 20 DBGD O=C(O)COCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 1602079917 QFUYHAPXEXJKPN-LLVKDONJSA-N 323.305 -0.578 50 20 DBGD O=C(NCc1cccc(N2CCOC2=O)c1)NNC(=O)C(=O)O 1610698106 JDNIRZMBKHLPAL-UHFFFAOYSA-N 322.277 -0.442 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2nc3ccccn3n2)O1 290409543 LHVFONDFERHPQW-DTWKUNHWSA-N 305.294 -0.107 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2cccn2C)CC1=O 298335909 BHIYUJBPGSGGMF-JTQLQIEISA-N 308.338 -0.719 50 20 DBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(B(O)O)c1)CS2 404919796 SYPLMIOACCAOPT-BXUZGUMPSA-N 320.179 -0.241 50 20 DBGD CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cccc(B(O)O)c1 584945443 HYQSQBBXRQKEJA-SNVBAGLBSA-N 313.184 -0.738 50 20 DBGD COCCCn1ccc(NC(=O)c2cc(B(O)O)ccc2F)n1 584952347 TVRUYSUFZYHTNK-UHFFFAOYSA-N 321.117 -0.009 50 20 DBGD CC(C)(C)NS(=O)(=O)CCNCc1ccc(B(O)O)cc1 585019074 AVUHLYUPPJFIRH-UHFFFAOYSA-N 314.216 -0.826 50 20 DBGD NC(=O)c1cccc(C(=O)NNc2cc(Cl)nc(N)n2)n1 753455769 ZQSJMBVVKXVMSZ-UHFFFAOYSA-N 307.701 -0.037 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)Cn1cnnn1 764048636 UNNNCMDMRAYTNR-UHFFFAOYSA-N 308.323 -0.682 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1OC(C)C 764429532 SWNXKBGHPBPPAS-UHFFFAOYSA-N 309.322 -0.140 50 20 DBGD Cn1nc(Br)cc1C=NNC(=O)C(=O)NC1CC1 782179924 SBSWAFAYQPEURD-UHFFFAOYSA-N 314.143 -0.089 50 20 DBGD C[C@H](O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 786690050 ZXZTXDYNVBQDFM-ZETCQYMHSA-N 300.340 -0.879 50 20 DBGD CCCNC(=O)NNC(=O)c1cc(N2CCNC(=O)C2)ccn1 786834940 VNJCONHXCCJJQM-UHFFFAOYSA-N 320.353 -0.628 50 20 DBGD O=C(CN1CC[C@H](CO)[C@H](O)C1)NNC(=O)c1ccccc1 808750120 GUSZPXXDLYEXSN-CHWSQXEVSA-N 307.350 -0.877 50 20 DBGD O=C(NN=C1CCN(CCO)CC1)C(=O)Nc1ccccn1 819809324 QXAOXBHGVGXDLZ-UHFFFAOYSA-N 305.338 -0.420 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3C[C@H]2C(=O)O3)cc1 830679057 BHSKCVWRDAMZHT-NEPJUHHUSA-N 303.318 -0.244 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(C(=O)O)c(F)c1 833149135 GIHUCAJNHZUPAE-JTQLQIEISA-N 312.253 -0.300 50 20 DBGD O=C(O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 833280108 APFOOGUHWMILQJ-UHFFFAOYSA-N 305.224 -0.246 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 852394726 WKOXECOGLFZUJO-IUCAKERBSA-N 302.331 -0.560 50 20 DBGD Cc1ccnn1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 861766709 IUNTVJIOTPGDIO-NSHDSACASA-N 300.384 -0.316 50 20 DBGD Cc1cnc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccn12 862463412 CPMPPFBMMKMVOE-JTQLQIEISA-N 301.306 -0.318 50 20 DBGD C=CCCn1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1 1118587165 VPLDCDLKUPWYHZ-JTQLQIEISA-N 311.367 -0.261 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CC[C@H]1NC(=O)NC1=O 1248407158 DHUKQDVKRUUWGP-SNVBAGLBSA-N 304.306 -0.256 50 20 DBGD CNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1251337266 FCUIQFUDCLPWQY-SNVBAGLBSA-N 301.306 -0.129 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1nncc(N)c1Cl 1319777364 QCEOUIIJDQRHLB-UHFFFAOYSA-N 322.778 -0.517 50 20 DBGD Cn1nccc1NC(=O)C(=O)NNC(=O)Cc1ccc(F)cc1 1320230475 FJPWRCPNWAXGFJ-UHFFFAOYSA-N 319.296 -0.112 50 20 DBGD Cc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ns1 1320811922 DGBVWPRZWQVILJ-ZETCQYMHSA-N 318.380 -0.417 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CCS(=O)(=O)C1 1325289666 PCVDGOFWDKHGQS-BDAKNGLRSA-N 305.356 -0.927 50 20 DBGD CC[C@@](C)(C#N)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1345409485 BNGRFVLNWAYYJN-KCJUWKMLSA-N 302.356 -0.556 50 20 DBGD CO[C@H]1CN[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1 1574006815 SZSQVCKQWLGHAA-NEPJUHHUSA-N 311.313 -0.271 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](Cc1cncs1)C(=O)O 1594712539 QPSJIDISDHXXTD-VXNVDRBHSA-N 314.367 -0.326 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cnsn2)CO1 1595007093 YJRFWJWVODKIAZ-RNFRBKRXSA-N 314.323 -0.431 50 20 DBGD Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c(C(=O)O)c1 1600475999 TVRPOFOOUSPASQ-SECBINFHSA-N 313.140 -0.069 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1604618480 XMADRNKHIWQKKO-UWVGGRQHSA-N 318.326 -0.933 50 20 DBGD Cn1cc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cn2)nn1 1606236783 DOFJZNYGCILBSI-UHFFFAOYSA-N 314.313 -0.534 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)c1cnccc1-c1nn[nH]n1 1606851580 DILLUFINUSWXJG-SECBINFHSA-N 319.350 -0.082 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1scnc1C(=O)O 1610008904 JXQCEQAMIYJQHW-UHFFFAOYSA-N 308.341 -0.304 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNC(=O)c1cccs1 44821034 ZOYNPKKICTUMNU-UHFFFAOYSA-N 317.392 -0.761 50 20 DBGD CN(C)C(=O)NNC(=O)CNC(=O)c1ccc(F)c(F)c1 194507325 XZUNNSVNERFYDB-UHFFFAOYSA-N 300.265 -0.003 50 20 DBGD CCn1c(NNC(=O)[C@@H]2CNCCO2)nc2ccccc2c1=O 236992956 XNEXXYDODUPFGG-LBPRGKRZSA-N 317.349 -0.152 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1F 264095764 GSQYXNSWQPTAAE-SSDOTTSWSA-N 318.330 -0.084 50 20 DBGD Cc1cc(C)nc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 268494104 VXPUTZXAFJSPMO-ZJUUUORDSA-N 308.342 -0.248 50 20 DBGD O=C(CN1CSCC1=O)NNc1ccc(-n2ccnc2)nn1 278602329 LGAFJZXTYYPVQC-UHFFFAOYSA-N 319.350 -0.362 50 20 DBGD COC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)Cn1nc(C)cc1C 285213247 WXVPQOPLSBDRNC-QWRGUYRKSA-N 308.338 -0.153 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCNC(=O)C1 494641590 REFREPAYJYWCLP-QMMMGPOBSA-N 314.342 -0.815 50 20 DBGD CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(B(O)O)cc1 584946385 RXWCOEYVQCJSGA-SNVBAGLBSA-N 313.184 -0.738 50 20 DBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C(N)=O)C1 584975628 WSJKHZUXYFMQEK-PRHODGIISA-N 308.118 -0.769 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNCc2ccccc2B(O)O)O1 585035749 XPWSNVPRSCYCGL-JSGCOSHPSA-N 306.171 -0.908 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCC2)s1 732143717 CWPAQNOTBSNFRK-UHFFFAOYSA-N 303.365 -0.043 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(CCO)CCCO)cc1 733795240 MHCAMSVFAYTBFP-UHFFFAOYSA-N 309.366 -0.567 50 20 DBGD Cn1cnc(S(=O)(=O)NNC(=O)COCc2ccccc2)c1 737755569 GLMPDBZMSYAPEI-UHFFFAOYSA-N 324.362 -0.054 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS(=O)(=O)C[C@H]1C 739913917 TZWNETYPUADTNU-MNOVXSKESA-N 319.427 -0.313 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)N1CCOCC1 746520328 UYWKCGYFJYOHCS-UHFFFAOYSA-N 310.310 -0.609 50 20 DBGD CN(C)CC(=O)NN=Cc1cnc(N2CCN(C)CC2)nc1 755688797 DYFFWAJPBMHXPF-UHFFFAOYSA-N 305.386 -0.760 50 20 DBGD Cc1csc(CC(=O)NN=Cc2cn(CC(=O)O)nn2)n1 768483014 NWTGUFHHASMJSN-UHFFFAOYSA-N 308.323 -0.180 50 20 DBGD Cc1cnccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 771734900 JQLJKJWIUMRHCO-QMMMGPOBSA-N 300.340 -0.911 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1COCCO1 771990349 YKTGRGFPBOTURU-ZJUUUORDSA-N 302.327 -0.473 50 20 DBGD CN(NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)C(N)=O 779543546 VXJWJYFPMDCANY-IUCAKERBSA-N 310.335 -0.268 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)c2[nH]nnc2C)c1 800687649 CXZDQAHRTIXPRZ-UHFFFAOYSA-N 304.310 -0.005 50 20 DBGD CN1CCN(C(=O)NNC(=O)CN2CCCCCC2=O)CC1 807381258 LGDBBWITJPWIFY-UHFFFAOYSA-N 311.386 -0.623 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCCn2cnnn2)cc(C#N)n1C 807920211 OVFZHVHNUPLUEZ-XGICHPGQSA-N 310.321 -0.085 50 20 DBGD CN(CCCNC(=O)NNc1ncncc1F)S(C)(=O)=O 814283204 CJCOZXYDUVBSFB-UHFFFAOYSA-N 320.350 -0.477 50 20 DBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 836349014 JPBMEMVNNUYEPW-WDEREUQCSA-N 312.370 -0.105 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(OCC(N)=O)c1 843645631 NNPOYEVVNGOPBX-BXKDBHETSA-N 321.333 -0.263 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)c1cnn(C)c1 843973251 YAKRAKVOXAVTRR-MWLCHTKSSA-N 308.338 -0.045 50 20 DBGD COCCCNC(=O)NNC(=O)Cn1nnc2c1CCCC2 847394177 UWYYGZRGOQIZME-UHFFFAOYSA-N 310.358 -0.476 50 20 DBGD COCCN(C)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 854413247 PDSLZPIVGWKQDU-LLVKDONJSA-N 307.416 -0.298 50 20 DBGD C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cc[nH]n1)CS2 855362668 TXJUSHRNROPLGN-UFBFGSQYSA-N 309.351 -0.375 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)CCc1ccccc1O 857118043 AZBGPMUJXOQSMF-WDEREUQCSA-N 305.334 -0.016 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)N1 862449905 LWOFRMGWODBTEH-GXSJLCMTSA-N 322.365 -0.797 50 20 DBGD CC(C)Nc1ncccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453854 AAXPUSQWKLWBKF-JTQLQIEISA-N 305.338 -0.059 50 20 DBGD Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454339 STNWPFZLHLXDQB-SNVBAGLBSA-N 306.278 -0.057 50 20 DBGD CN(C)c1cc(C#N)cc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863465468 FEYRLFTWPURVOR-UHFFFAOYSA-N 324.362 -0.570 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1c2c(nn1C)CCCC2 872345116 MHFVRWMWDXCVEB-UHFFFAOYSA-N 301.372 -0.237 50 20 DBGD CCc1nn(C)cc1S(=O)(=O)NNC(=O)c1cccn1C 882667039 XQNMFNKSAQSQSJ-UHFFFAOYSA-N 311.367 -0.056 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 910152162 JGMWGEXLFJGUIQ-BDJLRTHQSA-N 321.377 -0.263 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CSCC(=O)N1CCOCC1 920290168 QIWZWCYSNOQBCM-UHFFFAOYSA-N 317.411 -0.228 50 20 DBGD O=C(NN=C1CCCS(=O)(=O)C1)C(=O)Nc1ccccn1 1116260707 DMNBHWZFJLAWNZ-UHFFFAOYSA-N 310.335 -0.299 50 20 DBGD Cc1noc(CCCNC(=O)NNC(=O)C(=O)N2CCCC2)n1 1318401668 OMNBVOUDNCKLJH-UHFFFAOYSA-N 324.341 -0.737 50 20 DBGD O=C(Cc1ccco1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319282487 MLOLZTAXLYZZJB-MRVPVSSYSA-N 301.324 -0.660 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc2[nH]ccc2cc1C 1320580864 YTJRPGVUHYDNCZ-UHFFFAOYSA-N 318.289 -0.265 50 20 DBGD C[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)n1ccnc1 1322516297 NDYYIWWDBZICIP-SECBINFHSA-N 302.294 -0.375 50 20 DBGD CCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1323943270 CNRCLFDHIZETDZ-UHFFFAOYSA-N 322.321 -0.497 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 1324240332 VGHDYMBXQQATJV-LLVKDONJSA-N 321.333 -0.341 50 20 DBGD O=C(NNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)c1cn[nH]c1 1331536537 HLKWXOIBCYKENX-MNOVXSKESA-N 309.326 -0.356 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549319092 SKWLDPNPWBNKMO-QWRGUYRKSA-N 303.384 -0.614 50 20 DBGD C[C@@H]1CNCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1 1576853301 FCMZIFNZUMTACQ-LLVKDONJSA-N 301.350 -0.387 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 1590338483 RRCICXCFFJSCIA-IONNQARKSA-N 319.325 -0.609 50 20 DBGD O=C(O)Cn1cc(C(=O)NNC(=O)c2ccccc2F)nn1 1595143571 IOQXVZSLVFWTJQ-UHFFFAOYSA-N 307.241 -0.423 50 20 DBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)c1cccnn1 1601284828 GNORLOGWIQSUKD-DTWKUNHWSA-N 308.294 -0.493 50 20 DBGD O=C(CN1CCCCC(=O)C1=O)NNc1ccc(C(=O)O)cn1 1601313485 HACOCHWTDUSBPR-UHFFFAOYSA-N 320.305 -0.196 50 20 DBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1nc(O)c2cnn(C)c2n1 1605022881 CFICAGQKZUVCKB-KQDJYFMNSA-N 306.282 -0.377 50 20 DBGD Nc1cnnc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1Cl 1606452398 SSIRBAZCJSPKRS-UHFFFAOYSA-N 320.704 -0.023 50 20 DBGD Cn1nc(Br)cc1C=NNC(=O)NCC(=O)O 1608140665 XYYGKANVECOUCS-UHFFFAOYSA-N 304.104 -0.100 50 20 DBGD CC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 1609622293 MMXNZSDGXUWXIJ-SNVBAGLBSA-N 307.262 -0.968 50 20 DBGD Cn1ncc(C(=O)O)c1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1776027828 KEEQQXXWMADCMD-SSDOTTSWSA-N 314.323 -0.997 50 20 DBGD CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784089409 BDFSESVXBJTUKB-YFKTTZPYSA-N 304.774 -0.414 50 20 DBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 268246514 NXOFJJYOHKNVDK-RKDXNWHRSA-N 321.337 -0.002 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)S(C)(=O)=O 298825758 WAUSKBORKRCNPJ-VIFPVBQESA-N 313.379 -0.053 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NN(C)C(=O)OC)C1=O 495823658 POPVQLCYYFABAB-UHFFFAOYSA-N 300.315 -0.174 50 20 DBGD CN(C)C(=O)NNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 496986954 QTDKNSBBVUXXPL-UHFFFAOYSA-N 302.331 -0.729 50 20 DBGD NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(B(O)O)c1 584937660 WYRLSGYRLMSVPN-GDLCADMTSA-N 316.166 -0.375 50 20 DBGD CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584951829 ZNGHLHUUCXUJBW-CQSZACIVSA-N 308.162 -0.082 50 20 DBGD C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584955465 NTNPJAOFIVUXRJ-ZDSQKVDBSA-N 320.129 -0.755 50 20 DBGD O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(B(O)O)c(F)c1 584998627 BGNXPGPXOYRFEM-MNOVXSKESA-N 317.072 -0.216 50 20 DBGD CCOCCOC[C@@H](O)CNCc1ccc(B(O)O)cc1F 585038308 ZKSYQGULUMVYFT-ZDUSSCGKSA-N 315.150 -0.991 50 20 DBGD CN1Cc2ccccc2[C@@H](NCc2ccc(B(O)O)o2)C1=O 585049406 PHDHHDQRHIIJPD-CQSZACIVSA-N 300.123 -0.238 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3CNC[C@@H]3C2)c1 744389161 MGRYZMYGINZDBG-ZIAGYGMSSA-N 302.378 -0.093 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 748847162 URSYFMLAGGQZBX-ZCFIWIBFSA-N 319.243 -0.138 50 20 DBGD Cn1nncc1C=NNC(=O)c1csc(N2CCOCC2)n1 751129711 LCFCFTFPEPOILF-UHFFFAOYSA-N 321.366 -0.128 50 20 DBGD CCOc1ccccc1C(=O)NCCCC(=O)NNC(=O)CO 753452013 LJMMZDHLVUEVDK-UHFFFAOYSA-N 323.349 -0.265 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CCN1 760497200 ZOXOTFNWEFQGDD-MRVPVSSYSA-N 324.362 -0.849 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)S(C)(=O)=O 772024736 UUOKUGTZESKMCF-IUCAKERBSA-N 322.383 -0.455 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cn(C(C)(C)C)nn1 790162252 OGOTULDPKMNNJK-QMMMGPOBSA-N 316.387 -0.579 50 20 DBGD CSCC(C)(C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 800454559 UDHTXPZESHTFRG-QMMMGPOBSA-N 323.440 -0.107 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CS(=O)(=O)C(C)C 807371650 QGKWHNQVPNVFGJ-UHFFFAOYSA-N 324.399 -0.254 50 20 DBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)c1ccncc1 811861093 UEEDEOKKWLINIY-CYBMUJFWSA-N 306.347 -0.092 50 20 DBGD CCc1ccccc1OCC(=O)NN=C1C(=O)NC(=O)NC1=O 814213267 FPVVETSVNJCTFZ-UHFFFAOYSA-N 318.289 -0.534 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)c2nccn2c1 815569501 WOQWIMSEZQEVPD-UHFFFAOYSA-N 305.294 -0.625 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 826148126 ZZKFBDUWPDVIRE-UHFFFAOYSA-N 319.325 -0.585 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)sn1 832674363 DHZFUFAAUNZTSO-SFYZADRCSA-N 312.351 -0.038 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 847284333 FKEOYFMGHYLMPP-IUCAKERBSA-N 305.290 -0.312 50 20 DBGD Cc1cn2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2n1 850411348 XKOBWIWYSZMDGS-UHFFFAOYSA-N 318.337 -0.710 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)Cc2cnc[nH]2)n1 852287505 ZMSGLVZBXABKQY-UHFFFAOYSA-N 322.394 -0.003 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)OCC(F)(F)F 856026423 YBYNNXLVDXBZEF-LURJTMIESA-N 322.247 -0.055 50 20 DBGD Cc1cccc(CCCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 858446009 FOSUKVUNMJPLBJ-LBPRGKRZSA-N 319.365 -0.068 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccncc1 858696889 PCJNVPVWQWPXMF-NSHDSACASA-N 319.365 -0.032 50 20 DBGD Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696934 LUDFUDKAOKIRLT-NWDGAFQWSA-N 320.349 -0.363 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1=O 862451683 PLPDCXQEDHDGOX-BDAKNGLRSA-N 310.354 -0.941 50 20 DBGD O=C(CS(=O)(=O)C1CCCC1)NNC(=O)c1cn[nH]c1 862473752 ABPUPUVYLXHXGE-UHFFFAOYSA-N 300.340 -0.472 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)CCN(C)C 884247841 GHNYQZYYYZKFDB-LLVKDONJSA-N 301.460 -0.082 50 20 DBGD N[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1C(F)(F)F 903541182 SRIISXMDELBEIZ-IUCAKERBSA-N 308.304 -0.245 50 20 DBGD O=C(Cc1ccc(O)c(F)c1)NNC(=O)CN1CCCC1=O 913733413 ILSLZVBPLCBOQZ-UHFFFAOYSA-N 309.297 -0.156 50 20 DBGD COc1ccnc(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 1115858760 GQGZZAHJXIAKLX-QMMMGPOBSA-N 300.340 -0.247 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1cccnc1)N1CCN(C)CC1 1116054739 BVPUNKFRGXPOJY-GFCCVEGCSA-N 305.382 -0.593 50 20 DBGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)CCO)cc1F 1116642184 OPDGKBPEWVTNGP-UHFFFAOYSA-N 313.285 -0.389 50 20 DBGD COCCc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1116739079 HMHBATJFJAIAPE-UHFFFAOYSA-N 309.322 -0.656 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 1261211584 BDWHBGOQCGDSJL-PELKAZGASA-N 304.368 -0.616 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CCOC)c1 1320240020 RCHWSPKHXXLQIE-SECBINFHSA-N 311.342 -0.339 50 20 DBGD CN(C)C1(CNC(=O)NNC(=O)c2cnn(C)c2)CCOCC1 1323040153 OBIWDTVNKMJBQJ-UHFFFAOYSA-N 324.385 -0.525 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1n[nH]c(O)n1 1326384282 XBFNUOBMOOGCMV-NTSWFWBYSA-N 301.328 -0.825 50 20 DBGD CN[C@H](C(=O)NNc1nncc(N)c1Cl)c1cnn(C)c1 1328522388 LQKFAVSPWOGANA-VIFPVBQESA-N 310.749 -0.151 50 20 DBGD CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)cs1 1329216693 ZNOVQZZBGCYITJ-MRVPVSSYSA-N 303.170 -0.160 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCCCn1cncn1 1329814864 FTJKLNXLBZVHAV-UHFFFAOYSA-N 303.326 -0.364 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(C#N)cn1 1346673044 MLYJUJMGNAPLPW-JTQLQIEISA-N 321.337 -0.165 50 20 DBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)CS(C)(=O)=O 1348436450 OIRJVEHOKFRTCP-UHFFFAOYSA-N 316.383 -0.838 50 20 DBGD OB(O)c1cccc(CNCC2(O)CCC3(CC2)OCCO3)c1 1355349062 NPEKJHJIRUZMBY-UHFFFAOYSA-N 321.182 -0.496 50 20 DBGD O=C(CCn1cnnn1)NNc1cccc(-c2nn[nH]n2)c1 1582096634 ZWBUANUWKHVEQJ-UHFFFAOYSA-N 300.286 -0.613 50 20 DBGD CC(C)(C(=O)O)n1ccc(NC(=O)c2cccc(B(O)O)c2)n1 1588627329 KRFHGWAQRAEITL-UHFFFAOYSA-N 317.110 -0.365 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cnsn1 1592499778 DBFWPODWGNGPPX-UHFFFAOYSA-N 320.294 -0.306 50 20 DBGD O=C(O)C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 1601892842 RIQJTDDDUUFRPB-RKDXNWHRSA-N 312.326 -0.904 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)NC2CC2)s1 49150488 DYOBPJPAVDHJDR-UHFFFAOYSA-N 318.380 -0.569 50 20 DBGD NC(=O)C1CCN(CC(=O)NNC(=O)c2cccs2)CC1 102679719 GZUNFLJEXVKQLT-UHFFFAOYSA-N 310.379 -0.294 50 20 DBGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NN(C)C(N)=O)c1 271363796 PZBHMBZRMPKBQA-UHFFFAOYSA-N 314.367 -0.051 50 20 DBGD CN1CCC(C#N)(NC(=O)c2cc(B(O)O)ccc2F)CC1 584940995 CZRYFXQYKBEZIY-UHFFFAOYSA-N 305.118 -0.777 50 20 DBGD CN(C)[C@@H](CNCc1ccc(B(O)O)cc1)c1cnn(C)c1 585030396 ZXXCQCOYEBZXAW-HNNXBMFYSA-N 302.187 -0.508 50 20 DBGD O=S(=O)(c1cccc2c1OCCO2)N1CC[C@H](B(O)O)C1 585057517 GEBBGWFUHUOWON-VIFPVBQESA-N 313.140 -0.305 50 20 DBGD COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCB(O)O)cc1 585060002 IZXZMQLJILSRDM-SECBINFHSA-N 315.156 -0.767 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)CCc1ccccc1 728171235 VOOOEZFDNGFMJC-UHFFFAOYSA-N 313.379 -0.296 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCS(=O)(=O)C1 731651555 DDUIRBATWRMQMM-SECBINFHSA-N 323.440 -0.705 50 20 DBGD CCOCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736624472 ZDZOPQLESSUZPI-UHFFFAOYSA-N 319.325 -0.153 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744384249 KQBDHSSBZBTAME-UHFFFAOYSA-N 315.377 -0.043 50 20 DBGD Cn1cc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 750716695 OQSNNPKVAWERJK-ZDUSSCGKSA-N 316.317 -0.050 50 20 DBGD CCn1nccc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 757903138 OOMZMJXWLXWMLK-QMMMGPOBSA-N 315.355 -0.510 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@H]1CCCCO1 758040715 RHCPEFFAEPUROX-NXEZZACHSA-N 321.399 -0.579 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 764345338 RLDUWPKDNUYYAX-UHFFFAOYSA-N 302.294 -0.696 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ncncc2Cl)O1 781003354 SFVYXPIKBJTJBK-SVRRBLITSA-N 314.733 -0.211 50 20 DBGD C[C@@H]1COC(=O)C1=NNC(=O)c1ccc(-n2cnnn2)cc1 794882738 UKAJFOOQHXVTED-MRVPVSSYSA-N 300.278 -0.059 50 20 DBGD O=C(Cn1cncn1)NNC(=O)Nc1ccc2c(c1)OCO2 802095654 NFTWUJUITPEKHR-UHFFFAOYSA-N 304.266 -0.140 50 20 DBGD CN1CCN(CC(=O)NNc2nccnc2C2CCC2)CC1=O 805463812 JUKBYMQRJMZWIG-UHFFFAOYSA-N 318.381 -0.039 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(Cc2cn[nH]c2)CC1 823003957 WYKNTVZNPYVIGB-UHFFFAOYSA-N 314.154 -0.953 50 20 DBGD CCOC(=O)COCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826902167 JCBJDNLNMBIVEB-NXEZZACHSA-N 317.342 -0.679 50 20 DBGD N#CC[C@]1(O)CCN(CC(=O)NNC(=O)c2cccs2)C1 829983080 LNAFXYAGSNJFTQ-ZDUSSCGKSA-N 308.363 -0.140 50 20 DBGD O=C(Cc1cccc(C(=O)O)c1)NNC(=O)[C@H]1COCCO1 833765837 QCWRXEGBDPQSOL-LLVKDONJSA-N 308.290 -0.510 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@]2(O)CCOC2)cc1C 840238343 XIIPWKNWNJFCRU-HNNXBMFYSA-N 308.334 -0.019 50 20 DBGD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C1 844111000 CGUDNXFWBNJEBT-ZIAWVFJWSA-N 318.333 -0.291 50 20 DBGD O=C(Cc1ccc(F)cc1[N+](=O)[O-])NNC(=O)C(=O)NC1CC1 845106762 AYGWYTIYWGIDNU-UHFFFAOYSA-N 324.268 -0.298 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)c1ccncc1)S(N)(=O)=O 854118532 JRAFKBQOUFIRPM-VIFPVBQESA-N 300.340 -0.700 50 20 DBGD O=C(NNC(=O)[C@@H]1CCNC1=O)[C@H]1COc2ccccc2O1 854180621 NUFBTIJVVVEVFJ-LDYMZIIASA-N 305.290 -0.890 50 20 DBGD O=C(CCc1ccccc1O)NNC(=O)C1(n2cnnn2)CC1 857119400 ONRGHYPHDVCRLY-UHFFFAOYSA-N 316.321 -0.352 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452473 LMCBKLHDDDPKGW-VHSXEESVSA-N 310.354 -0.797 50 20 DBGD O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)[C@@H]1CCC(=O)N1 862462281 WEBCSCSVNIFWHS-LBPRGKRZSA-N 317.345 -0.020 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn[nH]c1 862472796 SLTWSUZYOYDDNW-QMMMGPOBSA-N 317.371 -0.865 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)C[C@@H](O)CN2C)cc1 899946357 AEGYWQIAOVRHKZ-MLGOLLRUSA-N 321.377 -0.024 50 20 DBGD C[C@]1(Br)C[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913729871 BRCZTYLNYNXPKV-CPCISQLKSA-N 318.171 -0.070 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1=O 913825700 MVXCDSQRPTWZPX-VIFPVBQESA-N 309.351 -0.744 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1nccs1 1118805929 LVLZPJHPESXGJJ-JGVFFNPUSA-N 311.367 -0.144 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1noc(C)n1 1261104400 QFXJZHZDUDTAOM-JGVFFNPUSA-N 315.330 -0.179 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NC[C@H](O)C1CCOCC1 1318624219 IOMGJBKQRQVYNN-ZDUSSCGKSA-N 322.365 -0.258 50 20 DBGD CNC(=O)c1ccc(CNC(=O)NNC(=O)C(=O)OC)cc1 1318882618 PNJRFJWBGVFHPQ-UHFFFAOYSA-N 308.294 -0.950 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(-n2ccnc2)nn1 1323027643 RMDWOMFYHISGIF-VIFPVBQESA-N 324.366 -0.214 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H](O)c1cnn(C)c1 1326027282 PTJNYBDIOYMDAX-LSJOCFKGSA-N 311.342 -0.791 50 20 DBGD CN1C(=O)NCC12CCN(CC(=O)NNC(=O)C1CC1)CC2 1328045858 IRUACQWZQXTAAJ-UHFFFAOYSA-N 309.370 -0.967 50 20 DBGD O=C(NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C(=O)NC1CC1 1328670564 KOCMZFWSEOSXDW-NEPJUHHUSA-N 318.333 -0.415 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)C(=O)N2CCCC2)n1 1332026503 FTQLLIXELLBNAU-UHFFFAOYSA-N 323.357 -0.941 50 20 DBGD O=C(NNC(=O)[C@H]1CC12CCC2)N[C@H]1CCS(=O)(=O)C1 1340325035 PEQXLUGSDKXZLG-DTWKUNHWSA-N 301.368 -0.306 50 20 DBGD COC1(OC)CC(CNC(=O)c2cc(B(O)O)ccc2F)C1 1353961499 IPJUQKQYWZHPAF-UHFFFAOYSA-N 311.118 -0.366 50 20 DBGD CC(C)[C@H](N)C(=O)NCCC(=O)NNc1ccnc(N(C)C)n1 1575442690 VBBZJBFRFRENIF-LBPRGKRZSA-N 323.401 -0.525 50 20 DBGD C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)NC(N)=O 1589793526 WCCJJHWDBRLFDI-ZETCQYMHSA-N 304.314 -0.243 50 20 DBGD CC[C@@H](C)[C@@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)O 1594901818 JUNLFGQXSJZZLW-NOZJJQNGSA-N 309.127 -0.639 50 20 DBGD COc1cc(C)cc(NC(=O)C(=O)NNC(=O)C(=O)O)c1C 1607150730 XHOMGNYOPHTRLX-UHFFFAOYSA-N 309.278 -0.517 50 20 DBGD O=C(NC[C@H]1COC2(CCCCCC2)O1)NNC(=O)C(=O)O 1608439572 UXJDVUQCYSLNPL-VIFPVBQESA-N 315.326 -0.133 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)n1 1609239474 LLZRUKSJUUKDOG-UHFFFAOYSA-N 306.286 -0.549 50 20 DBGD Cc1nsc(C=NNC(=O)CS(C)(=O)=O)c1C(=O)O 1776097056 GJINEROIFYJKMP-UHFFFAOYSA-N 305.337 -0.356 50 20 DBGD C[C@H](CN)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842866250 WBIZKJYQIZNDKF-NXEZZACHSA-N 303.790 -0.616 50 20 DBGD NC(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843367688 VZGKXSUFECSTQX-QMMMGPOBSA-N 306.725 -0.608 50 20 DBGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 14311841 CSQYPZYQPRKEJO-QPUJVOFHSA-N 319.317 -0.359 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)[C@H]1OC 275075856 MBFYGVSWRVACLA-HBNTYKKESA-N 311.342 -0.444 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(C)n1 279796976 LHDUUQYNBIOMON-UHFFFAOYSA-N 315.351 -0.788 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 299051921 KCUFSEQUSPPNEF-UHFFFAOYSA-N 314.319 -0.737 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 367907458 ZIPIJIVSRZZKEX-MRVPVSSYSA-N 311.725 -0.167 50 20 DBGD O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584930552 MPBIZXUEJCFVIA-CYBMUJFWSA-N 320.129 -0.611 50 20 DBGD CN(C)CCN1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584942109 HZKNUPRLKKYJCP-UHFFFAOYSA-N 319.214 -0.924 50 20 DBGD C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584945376 QGWHZFQQVHCYAY-QMMMGPOBSA-N 317.147 -0.989 50 20 DBGD CC(C)[C@@H](CNCc1ccccc1B(O)O)N1CCOCC1 585015258 URRMYWPQLKRURC-MRXNPFEDSA-N 306.215 -0.187 50 20 DBGD COCCOCCOCCCNCc1ccc(B(O)O)o1 585037286 XUPRWRBJGVEKQD-UHFFFAOYSA-N 301.148 -0.881 50 20 DBGD Cc1csc(CNC(=O)NNC(=O)C(=O)N2CCCC2)n1 748445961 VEALXRDCFNCELR-UHFFFAOYSA-N 311.367 -0.096 50 20 DBGD CCC(=O)NNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 756761011 PQJUXJIHZCSNNR-UHFFFAOYSA-N 303.344 -0.510 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)c1 760272125 FKNJNWQOPREDKX-VIFPVBQESA-N 321.333 -0.009 50 20 DBGD CCNC(=O)NNC(=O)c1ccnc2c(C(=O)OCC)cnn12 769733386 VDHPEXRJKMQMBD-UHFFFAOYSA-N 320.309 -0.130 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 789943049 YYPPRYQVTATPQL-SNVBAGLBSA-N 303.278 -0.286 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)CC1OCCO1 793600689 VEWDIKWHZWWFRI-UHFFFAOYSA-N 304.306 -0.213 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 794835589 ZNXDHLDOGCGTPL-WDNDVIMCSA-N 303.362 -0.074 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC 799518550 HYXSYBJKRSBMBX-UHFFFAOYSA-N 321.380 -0.686 50 20 DBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 823988377 REWSYDHRZVNQTG-RHYQMDGZSA-N 311.382 -0.106 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc3n(n2)CCCC3)CC1 830245294 KILCFQKMWKZQJX-UHFFFAOYSA-N 306.370 -0.179 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 843970711 JXVAJPQVAHQPEQ-WPRPVWTQSA-N 318.337 -0.004 50 20 DBGD CN(C)C1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 854237132 PYKWESTVAGRRRI-UHFFFAOYSA-N 315.337 -0.483 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(C(N)=O)[nH]1 857190494 KXEXQNHWMNLXEH-UHFFFAOYSA-N 312.326 -0.336 50 20 DBGD CC(C)(C)OC(=O)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858244742 GMLBILSPGXJTGU-MRVPVSSYSA-N 314.342 -0.673 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCS1 858296847 WOXROVVBQQNTIQ-PELKAZGASA-N 300.384 -0.119 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2SCCS2)N1 858622582 WFECRISTXNOROJ-ZCFIWIBFSA-N 304.397 -0.599 50 20 DBGD Cc1csc(C(=O)NNS(=O)(=O)N2CCOCC2)c1 863414375 UISYLYAAHPZHQX-UHFFFAOYSA-N 305.381 -0.132 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC(F)(F)F 918366484 QHKLPFHGWRFLGM-ZCFIWIBFSA-N 317.289 -0.490 50 20 DBGD CCn1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 1261460481 FXANGHQSOVTICO-PSASIEDQSA-N 309.326 -0.586 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2nn[nH]c2c1 1317736545 FOKLHOWUTVOAOO-QMMMGPOBSA-N 323.334 -0.846 50 20 DBGD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNC(=O)c1ccccn1 1319475725 WUTKSPBMXDMHPK-UHFFFAOYSA-N 317.261 -0.387 50 20 DBGD Cn1cccc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)c1=O 1320520750 AVKPRZILHGZMER-UHFFFAOYSA-N 308.338 -0.093 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1 1320550294 CZXCWGTZVODODL-UHFFFAOYSA-N 304.306 -0.640 50 20 DBGD CCCc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)OC 1324362626 QOSSCSPEGWZNTG-UHFFFAOYSA-N 307.306 -0.102 50 20 DBGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)CC1CC1 1337975168 WUFIEDRKBTUIQG-UHFFFAOYSA-N 306.326 -0.571 50 20 DBGD CCNC(=O)N(C)NC(=O)CCC(=O)N1CCC(O)CC1 1342692591 HVOPJAYDOBBJCI-UHFFFAOYSA-N 300.359 -0.558 50 20 DBGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C2 1343520467 LKHPTRMTJLHLHG-JTQLQIEISA-N 302.338 -0.133 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C(F)(F)c2nccs2)N1 1348388997 RJRHYZMSAOHFDF-YFKPBYRVSA-N 304.278 -0.339 50 20 DBGD C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)[C@@H]3COCCO3)CN2C1 1548662544 ZTSAEDNTAYMFOS-NDBYEHHHSA-N 311.382 -0.330 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)NC2CC2)C[C@@H](C)O1 1576800011 FMDDQHHCWRNRRA-IJLUTSLNSA-N 312.414 -0.226 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2CN)c1O 1579260214 UPXKLYFILSNOGX-KCJUWKMLSA-N 309.322 -0.474 50 20 DBGD C[S@@](=O)C1(C(=O)NNC(=O)c2ccncc2)CCNCC1 1579355880 QAWQSKXNSXPKSV-OAQYLSRUSA-N 310.379 -0.657 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1590334612 KWCCBUCMKIMKQY-HZGVNTEJSA-N 303.282 -0.193 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 1591215018 GHUDCWHTDFQKAR-UHFFFAOYSA-N 321.366 -0.044 50 20 DBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)C(=O)NC(C)C)c1 1611133293 VUTDLMYHMXTBCT-UHFFFAOYSA-N 307.306 -0.021 50 20 DBGD Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n1 114165508 XJDQPEKGAHSJQJ-GFCCVEGCSA-N 320.397 -0.053 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H](C)CS(C)(=O)=O)n1 265015352 LIQQPUMJAMWKHF-ZETCQYMHSA-N 303.344 -0.456 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cn1 265440924 ADIVRCZLEMSSDN-SSDOTTSWSA-N 317.754 -0.069 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1CCCCC1=O 265845086 BXIGPOPBVKNABH-UHFFFAOYSA-N 312.370 -0.549 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)COc2ccccc2O)C1 266874531 YJTPZOBENTZHKR-LBPRGKRZSA-N 309.322 -0.751 50 20 DBGD Cc1c(NNC(=O)Cn2ncn(C)c2=O)cccc1[N+](=O)[O-] 272304120 JJTQPYFVQMYAFH-UHFFFAOYSA-N 306.282 -0.058 50 20 DBGD CNc1nnc(CC(=O)NNC(=S)NCCSC)s1 273834160 LREJPMFIDJNNEB-UHFFFAOYSA-N 320.469 -0.019 50 20 DBGD C[C@H](O)CN(CC(=O)NNC(=O)c1ccccc1)[C@@H](C)CO 276170009 INSNWHMBEPCRFN-RYUDHWBXSA-N 309.366 -0.489 50 20 DBGD CCOC(=O)CC(C)(C)CC(=O)NNC(=O)C(=O)NC1CC1 287212724 RDDAYICDPYBLIF-UHFFFAOYSA-N 313.354 -0.218 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCc2ccccc2C1)N1CCOCC1 367270841 MLKQPUILZIHEDH-INIZCTEOSA-N 319.361 -0.021 50 20 DBGD COC(=O)NNC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)OC)CC1 495325790 AYHQQBJJXFONBO-ZKCHVHJHSA-N 316.314 -0.433 50 20 DBGD O=C(NC[C@@H](CO)Cc1ccco1)c1cc(B(O)O)ccc1F 584930902 FZHOSQZXYGTQME-JTQLQIEISA-N 321.113 -0.321 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](n2cncn2)C1 584976665 KMOMXOSKSBCOPL-JTQLQIEISA-N 304.090 -0.816 50 20 DBGD C=CCCN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584985042 FIHVOICATREHNS-UHFFFAOYSA-N 306.146 -0.161 50 20 DBGD CC(C)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nncn1C 584988383 MMJUPVFBYZIENX-GFCCVEGCSA-N 320.133 -0.239 50 20 DBGD O=C(NCB(O)O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 585061665 CNAZIQHUUVICBX-UHFFFAOYSA-N 311.046 -0.278 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CSCC2=O)c1 728827084 HLXKIKVWZSTAEJ-UHFFFAOYSA-N 304.331 -0.148 50 20 DBGD Cc1ccc(NNC(=O)NCCCN(C)S(C)(=O)=O)nn1 730025123 UXXSXACIUCCWHG-UHFFFAOYSA-N 316.387 -0.307 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)c1 738106923 QOQJZMWSQNUSTQ-WDEREUQCSA-N 307.306 -0.025 50 20 DBGD NC(=O)c1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 757739077 ZZXCDUDOOXGGBT-UHFFFAOYSA-N 303.282 -0.701 50 20 DBGD COc1csc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758029382 KLMBGOKJSVHYJQ-ZCFIWIBFSA-N 321.380 -0.545 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccccc2F)nn1 762964570 PUKNREGEUNEKFJ-MRVPVSSYSA-N 307.285 -0.068 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)CSc1ccccc1O 764047043 OEWXWRNLKAWGNT-UHFFFAOYSA-N 312.351 -0.310 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCO2 764318322 SHMWUXAUIPDRCN-UHFFFAOYSA-N 309.278 -0.462 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)C(=O)Nc1ccon1 764367816 MWCYNFXLEUIFPQ-UHFFFAOYSA-N 318.289 -0.023 50 20 DBGD O=C(CSc1n[nH]c(CO)n1)NNC(=O)c1cccs1 767083056 HSTBNVMGPSMMRP-UHFFFAOYSA-N 313.364 -0.088 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-n3cncn3)nc2)n[nH]1 768278523 NZXQINIXSJAUQD-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD CCOC(=O)C1(CNC(=O)NNC(=O)c2cnn(C)c2)CC1 770558524 PDVPHKNMKJAJMT-UHFFFAOYSA-N 309.326 -0.293 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)N2CCC[C@H](C)C2)n1 771605632 LGAABDIUSAAOBL-JTQLQIEISA-N 321.381 -0.094 50 20 DBGD CCOC(=O)C1(C(=O)O[C@H](C)C(=O)NNC(=O)CC)CC1 772239192 WRSNIBFXIADXDD-MRVPVSSYSA-N 300.311 -0.181 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779726215 YJRWIKWUECODFO-GHMZBOCLSA-N 306.322 -0.239 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCN1CCOC(C)(C)C1 789330334 CSDROUDIWKGTPN-LBPRGKRZSA-N 314.430 -0.025 50 20 DBGD CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NNC(=O)C1CCC1 798291412 JLSPYZXUBYUAHD-SNVBAGLBSA-N 312.370 -0.660 50 20 DBGD CN(NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CC1 819648491 FZXLKBUITKNDJF-UHFFFAOYSA-N 311.363 -0.315 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NN(C)[C@@H](C)CO 823971525 WADWYACEBUQAGY-RYUDHWBXSA-N 321.443 -0.076 50 20 DBGD O=C1CC[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CN1 826479534 ANSBXEPDZKLODR-SECBINFHSA-N 301.310 -0.164 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[C@H]1OC 826542293 LHWYDWIASPBJJJ-RMPHRYRLSA-N 315.370 -0.066 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H](O)Cc1ccccc1 827831980 SBFGVJPUNUTNJE-LBPRGKRZSA-N 305.334 -0.640 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)Cc1ccc(F)cc1 845553817 ZTDWQNVWYWLBDJ-UHFFFAOYSA-N 312.301 -0.234 50 20 DBGD O=C(NNc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)N1 845855695 MBQIBMVXFVFPNL-SECBINFHSA-N 300.296 -0.270 50 20 DBGD CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NNC(=O)C1CC1 852075146 KEIWTCCTIAOIBD-CYBMUJFWSA-N 316.361 -0.279 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C1CN(C(C)=O)C1 854284527 NKNPMRXSMAJEPZ-UHFFFAOYSA-N 302.400 -0.661 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(F)c1 861946973 XCCCJJPOWVHIJW-SNVBAGLBSA-N 322.296 -0.501 50 20 DBGD COc1cccc2c1NC(=O)C2=NNC(=O)[C@@H]1CCC(=O)N1 863151924 YBALPTJHOJABDS-QMMMGPOBSA-N 302.290 -0.254 50 20 DBGD CC(C)Cn1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 896014908 LFEDDTWVSZOGJH-UHFFFAOYSA-N 307.354 -0.078 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=S)NC(C)(C)C 899994832 AZCMMJVTSKCFCS-UHFFFAOYSA-N 324.472 -0.048 50 20 DBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNC(C)=O 915776225 FYDHOJVAQQOGPB-UHFFFAOYSA-N 317.349 -0.118 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 919960984 MTXANHRMATYHRH-UHFFFAOYSA-N 312.351 -0.299 50 20 DBGD Cn1c(C=NNC(=O)NCC2CC2)nc2c1c(O)nc(=O)n2C 920828712 QCBIDZLKJVOGNX-UHFFFAOYSA-N 319.325 -0.584 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116364104 WTIGLODFCCUCKV-SSDOTTSWSA-N 311.454 -0.721 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)n1 1123693630 BQJFVNKGNXTIHI-QWRGUYRKSA-N 323.401 -0.254 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNc2nccn(C)c2=O)C1 1252518076 DIZXCBBNFJZVJD-SNVBAGLBSA-N 307.354 -0.128 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCCn2cnc(C#N)n2)n1 1258275958 XSOKHTLUQYYSRE-UHFFFAOYSA-N 314.309 -0.503 50 20 DBGD CCn1nccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1320412780 KNYSBXHYDHSZNQ-MRVPVSSYSA-N 300.340 -0.901 50 20 DBGD CC(C)NC(=S)NNC(=O)c1ccc(S(N)(=O)=O)s1 1321573988 QIIPAXSAWUFNSF-UHFFFAOYSA-N 322.437 -0.087 50 20 DBGD Cn1nccc1COCC(=O)NNC(=O)Cc1cccnc1 1321869440 RXCRYGOXOSPKRU-UHFFFAOYSA-N 303.322 -0.278 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2cncc(Cl)c2)N1 1331737322 XGVDPLSOZQXYIX-QMMMGPOBSA-N 318.742 -0.677 50 20 DBGD Cn1ncc(Br)c1C=NNC(=O)[C@H]1CCC(=O)N1 1335346974 HYZZTPAOEWHZTH-SSDOTTSWSA-N 314.143 -0.089 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1-n1cnnc1 1349455518 MANYBUQVZGUBPR-IUCAKERBSA-N 319.325 -0.813 50 20 DBGD CN(C)c1ccc(NC(=S)NNC(=O)CNC(=O)CN)cc1 1578427428 IXIDYTRXOGAMBP-UHFFFAOYSA-N 324.410 -0.855 50 20 DBGD CNC1CC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 1578594904 HBEMQIJNJVLULE-UHFFFAOYSA-N 315.337 -0.579 50 20 DBGD O=C(NNC(=O)c1ncon1)c1ccc(-c2nn[nH]n2)cc1 1593159539 RGMNYFHUKGTYNR-UHFFFAOYSA-N 300.238 -0.676 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1=O 1595156589 LOJDKPUZRFKYFK-UHFFFAOYSA-N 304.262 -0.664 50 20 DBGD O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1cccc(B(O)O)c1 1601576399 UWYBSUTZTAOQCZ-DNIRFERGSA-N 303.123 -0.405 50 20 DBGD CCn1nc(C(=O)NNC(=O)CC(=O)O)c2ccccc2c1=O 1605933864 OABAMCCTKQNDLY-UHFFFAOYSA-N 318.289 -0.348 50 20 DBGD C[C@H](C(=O)NNc1ccnc(F)c1)n1cnc(-c2nn[nH]n2)n1 1609069807 GICPLWDPXGKLRY-ZCFIWIBFSA-N 318.276 -0.303 50 20 DBGD O=C([C@@H]1CCCO1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353799 QJCBJNJBRBCFPL-QWRGUYRKSA-N 316.785 -0.032 50 20 DBGD CNC(=O)NNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 57292326 BJXKFHFJLAEPSA-UHFFFAOYSA-N 300.340 -0.475 50 20 DBGD Cc1c(CC(=O)NNC(=O)CN(C)C)nnn1-c1ccccc1 265018633 DOGVMMXGDFYSCV-UHFFFAOYSA-N 316.365 -0.173 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccn1 272432666 LOBAQPLUXFNQRN-GZMMTYOYSA-N 306.322 -0.882 50 20 DBGD COC(=O)CCCC(=O)NNC(=O)CNC(=O)c1cccnc1 274147231 YGCSVQZTTFBGLR-UHFFFAOYSA-N 322.321 -0.698 50 20 DBGD CCOC(=O)CCCNC(=O)NNC(=O)C(=O)N1CCCC1 299540765 VLETYNRRFANTDS-UHFFFAOYSA-N 314.342 -0.718 50 20 DBGD CN(NC(=O)CO)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 492369644 FSNDUAMSKJVIEV-UHFFFAOYSA-N 316.358 -0.386 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(F)c(N2CCOC2=O)c1 496729184 AUKKEDKVJBZYOG-UHFFFAOYSA-N 312.257 -0.073 50 20 DBGD O=C(NCCc1nncn1C1CC1)c1ccc(B(O)O)cc1 584941919 NNRVBOFNEACPND-UHFFFAOYSA-N 300.127 -0.735 50 20 DBGD O=C1C[C@H](NCc2ccc(B(O)O)cc2F)[C@@H]2CCCCN12 585042270 NSOANENCNPUIJN-KBPBESRZSA-N 306.146 -0.252 50 20 DBGD CN1CC[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CC1=O 585051993 QGXJKAFKGIZXIQ-JTQLQIEISA-N 301.111 -0.248 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H](C)N(C)C1CC1 748628092 RRTCBURIDKUCBB-WDEREUQCSA-N 316.402 -0.149 50 20 DBGD COc1cc(C)nc(NNC(=O)NCc2cc(C(N)=O)no2)n1 752195540 GSVFWWIZMPPMRH-UHFFFAOYSA-N 321.297 -0.293 50 20 DBGD Cc1nc2cc(O)nn2c(C)c1CCC(=O)NNC(=O)CO 753436655 BDWZDGDATSULBL-UHFFFAOYSA-N 307.310 -0.876 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)N1CCN(C)CC1 773660183 WDCQUUWERUQUTG-UHFFFAOYSA-N 318.399 -0.729 50 20 DBGD N#Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c[nH]1 779229717 HTAQJTUENSTPQE-UHFFFAOYSA-N 312.289 -0.528 50 20 DBGD COc1cccc(C[C@H](O)C(=O)NNC(=O)c2cnn(C)c2)c1 785415958 QIPUKXLVVMPNTP-ZDUSSCGKSA-N 318.333 -0.207 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)C(=O)NCC(F)F 792799166 XALQMQCQAGOBTP-UHFFFAOYSA-N 315.276 -0.234 50 20 DBGD COC(=O)c1cc(C=NNC(=O)CNC(=O)c2ccco2)on1 814827221 ZMSHBAYHLREEST-UHFFFAOYSA-N 320.261 -0.066 50 20 DBGD Cn1c(=O)n(CCC(=O)NNc2nc[nH]n2)c2ccccc21 816632654 SMSHJFHLXCDXKI-UHFFFAOYSA-N 301.310 -0.009 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)C1(n2cnnn2)CC1 824701718 FOHACRKQSMJMGS-UHFFFAOYSA-N 316.321 -0.221 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 854180335 KPGMBLCMIOBUGX-RYUDHWBXSA-N 310.306 -0.365 50 20 DBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1cc[nH]n1 855359301 MQMKWFGWUDBYIE-ZCFIWIBFSA-N 322.354 -0.327 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2ncc(Cl)cn2)O1 856878247 NMJYQIFPLKPCOF-HTQZYQBOSA-N 314.733 -0.211 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCS1 858296850 WOXROVVBQQNTIQ-UFBFGSQYSA-N 300.384 -0.119 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H](O)c2ccc(F)cc2)N1 858694484 POKHTOBPWBCGJR-WDEREUQCSA-N 324.312 -0.532 50 20 DBGD C[C@@H]1SCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@H]1C 858695872 GNENCCFMRUYHQH-XHNCKOQMSA-N 300.384 -0.168 50 20 DBGD CN1CC[C@@]2(CCN(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C2)C1 858700057 DESYULKIFFJCDG-IINYFYTJSA-N 309.370 -0.967 50 20 DBGD Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460054 ZBCWKLKJXDPPMN-QMMMGPOBSA-N 312.276 -0.092 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 863411981 DUYAFERNIWYGFN-SNVBAGLBSA-N 315.326 -0.278 50 20 DBGD C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460630 FNQPZXGCFACCLS-OPRDCNLKSA-N 305.400 -0.560 50 20 DBGD CN(C)[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863460893 OIVUCAMCYDOJAY-GFCCVEGCSA-N 313.379 -0.519 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@](C)(O)Cc1ccccc1 869910854 ZRKYURAJDKJNDJ-HNNXBMFYSA-N 310.350 -0.210 50 20 DBGD CC(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 873739797 OLPHKTDMCKSRCA-JTQLQIEISA-N 300.359 -0.295 50 20 DBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)C(=O)NC(C)C)cc12 1115870753 CAIVQCIZJXDVMH-UHFFFAOYSA-N 304.310 -0.448 50 20 DBGD N#CCN1CCC(NC(=O)NNC(=O)Cc2ccncc2)CC1 1116195772 CBMWPZFUGJUSHJ-UHFFFAOYSA-N 316.365 -0.058 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccc(F)cc3C2)N1 1118970601 PMEQVSMHOCSIML-ONGXEEELSA-N 321.308 -0.197 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCN1CCc2ccccc21 1252439106 VKRAVFUYUWJJIP-UHFFFAOYSA-N 320.349 -0.057 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 1320347878 WXYAIKOMLIIMHF-UHFFFAOYSA-N 317.309 -0.533 50 20 DBGD COc1ccnc(NNC(=O)C(=O)Nc2cnccc2OC)n1 1320385940 KDQGFUQARFVGDI-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1Cl 1322304623 RXANYXYCRZOQOJ-UHFFFAOYSA-N 315.713 -0.183 50 20 DBGD O=C(O)[C@@H](CC1CCOCC1)NCc1ccccc1B(O)O 1331933143 XXCZQWWOAWOQBT-CQSZACIVSA-N 307.155 -0.274 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(C)n1 1344377197 CFOKZMWOHMAJDL-UHFFFAOYSA-N 314.367 -0.231 50 20 DBGD CC(C)[C@H](N)C(=O)NCCC(=O)NNC(=O)c1cccn1C 1575441617 GXHDWBKLWKVZIJ-LBPRGKRZSA-N 309.370 -0.724 50 20 DBGD CC(=NNC(=O)C(=O)NC1CC1)c1ccccc1-c1nn[nH]n1 1588771860 BSTQSGRYCSGJPR-UHFFFAOYSA-N 313.321 -0.015 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1589415302 GLHWCYKRPNQFAL-RKDXNWHRSA-N 323.305 -0.881 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@@H]1CCCCO1 1592561676 SAZMSDRTGZKRDT-JTQLQIEISA-N 319.325 -0.465 50 20 DBGD Cn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)n(C)c1=O 1592565993 SWAGMLSMXCEYTP-UHFFFAOYSA-N 315.297 -0.944 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CCC(O)(C(=O)O)CC2)cn1 1600946853 PWKBUSSJXSBPLQ-WDZFZDKYSA-N 304.306 -0.235 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 157440629 HPWCUHVOJVBUHJ-UHFFFAOYSA-N 301.368 -0.001 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(F)cc1F 264071385 BNWVNYRCGKMIOY-ZCFIWIBFSA-N 321.305 -0.337 50 20 DBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 282343932 ZUZGTNKUMGAOBQ-SBMIAAHKSA-N 309.322 -0.030 50 20 DBGD COc1ncc(NC(=O)NNC(=O)[C@@H]2CCCO2)cc1C(N)=O 292701051 KYPNRVVABJPMRW-VIFPVBQESA-N 323.309 -0.479 50 20 DBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 490853828 ZNQJRICAZBTKKU-SNVBAGLBSA-N 316.358 -0.170 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCN1C1CCOCC1 584913207 QXXSFKQABNUAGC-HNNXBMFYSA-N 318.182 -0.052 50 20 DBGD Cc1nnc2n1CCC[C@H]2NC(=O)c1ccc(B(O)O)c(F)c1 584961245 SHOUHOXUUPBZIX-GFCCVEGCSA-N 318.117 -0.330 50 20 DBGD O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(B(O)O)ccc1F 584970194 MGHGZRZOMOMCBZ-IAQYHMDHSA-N 323.129 -0.427 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCCN(C(=O)C2CC2)CC1 584977934 USDKRLBHLAUHRH-UHFFFAOYSA-N 316.166 -0.549 50 20 DBGD CN(C)CCn1cc(NC(=O)c2cc(B(O)O)ccc2F)cn1 585004955 SHEZIPGTZUOATI-UHFFFAOYSA-N 320.133 -0.484 50 20 DBGD CSCC[C@H](NCc1ccc(B(O)O)cc1)C(=O)N(C)C 585040193 BKPUHZSFIHINMW-ZDUSSCGKSA-N 310.228 -0.334 50 20 DBGD CC(C)(C)n1nnc(-c2nc(-c3ccc(B(O)O)cc3)no2)n1 585051465 HRDTWVHVHXQUPJ-UHFFFAOYSA-N 314.114 -0.175 50 20 DBGD CNc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1[N+](=O)[O-] 726614972 YCIFZWMIWMJALL-UHFFFAOYSA-N 323.309 -0.078 50 20 DBGD CC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N(CC)CC 735996365 WRAHRWJYFGJEGX-GHMZBOCLSA-N 319.427 -0.311 50 20 DBGD O=C(NNS(=O)(=O)C1CC1)c1ccc(-c2nn[nH]n2)cc1 738134725 RTHVLJGCUYLHIS-UHFFFAOYSA-N 308.323 -0.407 50 20 DBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)N(C)C)ccc21 746012734 IGWKXPXLLFEHBQ-UHFFFAOYSA-N 319.321 -0.374 50 20 DBGD COCC(=O)NNC(=O)Nc1cccc(-n2cnnn2)c1C 755444623 PTZSQULCOZKEEK-UHFFFAOYSA-N 305.298 -0.230 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccn(CC(=O)N(C)C)n1 756310773 IZTYQFYYUQFNDB-UHFFFAOYSA-N 312.330 -0.840 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNc1ncc(F)cn1 760907743 XYTMRWFCMWRUAD-UHFFFAOYSA-N 303.319 -0.516 50 20 DBGD C[C@@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1cccc(C#N)c1 761111014 CEIBDHWMHMTLGB-MFKMUULPSA-N 302.334 -0.226 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)nc1 763819821 GVRDOBJPXYLFFQ-UHFFFAOYSA-N 323.312 -0.351 50 20 DBGD CC(C)(C)[C@H](O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 764606174 QGUZDNQQDFWXBB-LLVKDONJSA-N 318.337 -0.170 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN(C)[C@H]1CCSC1 766762943 SDSYFXABKGNPQV-VIFPVBQESA-N 302.400 -0.904 50 20 DBGD O=C(NCCc1cccs1)NN=C1C(=O)NC(=O)NC1=O 814219756 PPPJEGLDJASYCR-UHFFFAOYSA-N 309.307 -0.688 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)c2ccccc2C1=O 816770703 ISAKPXJJHUREKS-UHFFFAOYSA-N 300.278 -0.446 50 20 DBGD CCN(CCO)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 823833820 KILWCQQPLFUDFP-RYUDHWBXSA-N 311.382 -0.103 50 20 DBGD C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)CNC(=O)c1ccco1 831202423 GMGWRFWTRCJLNY-BDAKNGLRSA-N 311.342 -0.534 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O 844146116 JEUDYSJLKXIEHI-POYBYMJQSA-N 310.266 -0.119 50 20 DBGD N#C[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCN1C1CC1 858705054 UXIXBMXMBKVQAJ-NSHDSACASA-N 303.326 -0.564 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] 862448244 BEBPTQLZOLSNBV-SECBINFHSA-N 306.278 -0.057 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1[N+](=O)[O-] 862448972 KBNQNTLFAXTNTF-VIFPVBQESA-N 306.278 -0.057 50 20 DBGD O=C(NNC(=O)c1cc(B(O)O)ccc1F)NC1CCCCC1 863870911 RAADXEFAGYVPHK-UHFFFAOYSA-N 323.133 -0.218 50 20 DBGD CCCn1nccc1NC(=O)COc1ccc(B(O)O)cc1 865373426 ULMRODCWMYPPIS-UHFFFAOYSA-N 303.127 -0.010 50 20 DBGD O=C(CCn1cc(Cl)cn1)NNC(=O)CN1CCCC1=O 913730531 ZEZHPLOLUQEBGS-UHFFFAOYSA-N 313.745 -0.304 50 20 DBGD CC(C)N1CCN(CCC(=O)NNC(=O)c2cccnn2)CC1 921315288 BEZXKNCWCARZOU-UHFFFAOYSA-N 320.397 -0.346 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12 1116711844 DTKPJNYRRKHYGN-UHFFFAOYSA-N 304.262 -0.573 50 20 DBGD Cc1nn2cccnc2c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118884500 ZWHIXVQGKCFRGA-MRVPVSSYSA-N 302.294 -0.923 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCCOCC1 1319844922 UGYJPDRCPYQNDR-JTQLQIEISA-N 324.337 -0.091 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccnc1C 1320237019 JTSSXXMYGKFFQH-SNVBAGLBSA-N 324.337 -0.473 50 20 DBGD Cc1ccc(C(=O)NCC(=O)NNC(=O)Cc2cc[nH]n2)s1 1322551429 ZSNRLFOHOKKUFB-UHFFFAOYSA-N 321.362 -0.100 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCCS(N)(=O)=O 1326830639 BELJPJXFEROHFV-ZJUUUORDSA-N 321.399 -0.592 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)CCCN1CCN(C)CC1 1329319282 IGPVMUXIWHDCMB-UHFFFAOYSA-N 321.447 -0.880 50 20 DBGD O=C(NNC(=O)c1nc[nH]c2nccc1-2)C(=O)N1CCCC1 1333924586 SFFCTDQBJSRKFK-UHFFFAOYSA-N 302.294 -0.707 50 20 DBGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)N(C)C 1340222884 ZOUQQOQCYOUMNX-UHFFFAOYSA-N 308.341 -0.606 50 20 DBGD O=C(NNC(=O)c1sccc1-c1nn[nH]n1)c1ncon1 1582561749 TWLIBNGGPHPKLH-UHFFFAOYSA-N 306.267 -0.614 50 20 DBGD Cc1ccc(NNC(=O)C[C@@H]2NC(=O)NC2=O)cc1C(=O)O 1600461478 MQZLVYQQKZZINL-VIFPVBQESA-N 306.278 -0.266 50 20 DBGD CN(NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1609281437 FPUBFFDFIFBSGV-JTQLQIEISA-N 314.309 -0.409 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCN(CC3CC3)C2)cn1 76981422 RKSXRQZUNMHECP-LBPRGKRZSA-N 306.370 -0.152 50 20 DBGD Cn1cnn(CC(=O)NNc2nc(-c3ccccc3)no2)c1=O 181736877 IBXPQHHLCXOICW-UHFFFAOYSA-N 315.293 -0.225 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2c(C)c(C)nn(C)c2=O)[nH]n1 271119916 KQSAWOMURLCZLM-UHFFFAOYSA-N 304.310 -0.497 50 20 DBGD Cc1cccnc1NNC(=O)CNS(=O)(=O)c1cn(C)cn1 276758027 QTFQAGZELUGEKE-UHFFFAOYSA-N 324.366 -0.455 50 20 DBGD COC(=O)N(C)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 495624340 DZVCUSPZKWGMQZ-UHFFFAOYSA-N 314.323 -0.787 50 20 DBGD C[C@@H]1C[C@H]1C(=O)NCCc1nc(-c2cccc(B(O)O)c2)no1 585053484 LPPQPYHCXKTBBX-BXKDBHETSA-N 315.138 -0.269 50 20 DBGD COc1ccc(OC)c(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585057631 IAZKJJANRCDFEL-VIFPVBQESA-N 315.156 -0.059 50 20 DBGD CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)ccc21 585058881 SJHLUYRNGCGFIZ-JTQLQIEISA-N 324.167 -0.557 50 20 DBGD COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCB(O)O)cc1 585060003 IZXZMQLJILSRDM-VIFPVBQESA-N 315.156 -0.767 50 20 DBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)Cc1cc[nH]n1 730090970 UPKUYMVKMFHDDS-UHFFFAOYSA-N 320.309 -0.808 50 20 DBGD CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 745894490 FFMZQMZCDNSOKE-RKDXNWHRSA-N 300.384 -0.121 50 20 DBGD O=C(CCc1ccccc1)NNC=C1C(=O)NC(=S)NC1=O 749969437 GOHFRDFPGUPYLK-UHFFFAOYSA-N 318.358 -0.345 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2nc(O)nc(O)c2N)cc1F 775967422 PXZBMSIQZBCHPQ-UHFFFAOYSA-N 321.268 -0.008 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@H]2C#N)c1 777618931 GUQTXTIVDCYWEE-CYBMUJFWSA-N 302.334 -0.020 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc(N(C)C)cn1 779665256 FCRCDYVEBQQWNA-UHFFFAOYSA-N 322.369 -0.392 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 783524849 SXFSWYZYYQWIJW-WDEREUQCSA-N 318.395 -0.490 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 787948369 CTKOYIAGPBCLQI-UHFFFAOYSA-N 314.342 -0.985 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)CC1OCCO1 793338783 VSYFBGBHGXIWLP-UHFFFAOYSA-N 313.335 -0.612 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 798307506 YIFNRXXJBQPQRM-LLVKDONJSA-N 309.297 -0.027 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNc2cccc(F)n2)C1 805461047 SBJBFXBWMRZKAP-UHFFFAOYSA-N 317.346 -0.073 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2COCCN2C2CCCC2)nc1O 806364641 CUWQWYGBBPZXJG-LLVKDONJSA-N 322.369 -0.028 50 20 DBGD COCCNC(=O)c1cccc(NC(=O)NNC(=O)CO)c1 806630669 PWQIHUMZXBSVNI-UHFFFAOYSA-N 310.310 -0.792 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)c2ccoc2)n1 824449538 VPFNEASCEJDMHR-UHFFFAOYSA-N 322.281 -0.099 50 20 DBGD O=C(CO)NNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 826414873 KROHCXYETMJJHB-UHFFFAOYSA-N 322.350 -0.760 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1(S(C)(=O)=O)CC1 826676555 CXRNDZAYJOAWSJ-IUCAKERBSA-N 319.383 -0.681 50 20 DBGD CNCC(=O)N1CCN(S(=O)(=O)CBr)CC1 832144594 HHUMTBUHLQWEGT-UHFFFAOYSA-N 314.205 -0.968 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2c(c1)nnn2C 843657158 OYXDSIZQHBVUNH-VXNVDRBHSA-N 304.310 -0.451 50 20 DBGD O=C(N[C@@H](CO)C(=O)NNC(=O)C1CCC1)c1cccc(F)n1 845484062 QCYRWHRIFPFQFQ-JTQLQIEISA-N 324.312 -0.741 50 20 DBGD Cc1ccccc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)N1 846062849 OSXWQLXEERUGPZ-JTQLQIEISA-N 312.351 -0.161 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)COc1ccc(C#N)cc1)C(=O)O 848588476 SVMFRVQEVBCTNH-VIFPVBQESA-N 320.305 -0.012 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CC1)c1ccc(-n2cnnn2)cc1 854235902 GCRQRNAGHXLEHY-LLVKDONJSA-N 302.294 -0.806 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)c1ccnnc1)C(=O)OC(C)(C)C 854969091 WCGOBKBJSJRNDN-AWEZNQCLSA-N 324.337 -0.016 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 861515148 QIOJUUOEMNKUEE-UHFFFAOYSA-N 311.319 -0.368 50 20 DBGD CCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 861946156 MDVDDOIPPZDXPK-LLVKDONJSA-N 318.333 -0.387 50 20 DBGD CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862451792 GVANYHRINZFKJY-GHMZBOCLSA-N 324.381 -0.549 50 20 DBGD CN(C)CC1(O)CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 931480787 DZYXKAXNKYQUEK-UHFFFAOYSA-N 314.430 -0.432 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3C[C@]34CCOC4)nc21 1116597422 HTBPQOZZXCLQFC-SDBXPKJASA-N 304.310 -0.061 50 20 DBGD O=C(O)CSCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1248509230 CQTUAMJRNZLGEY-UHFFFAOYSA-N 312.351 -0.133 50 20 DBGD CN(C)N(C(=O)c1ccc2nnnn2c1)[C@H]1CCS(=O)(=O)C1 1252896141 WLUXMFMOWDEHKJ-JTQLQIEISA-N 324.366 -0.770 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 1255165471 SECXOGJFLYYQDW-UHFFFAOYSA-N 310.328 -0.441 50 20 DBGD COc1ccc(C(=O)NNC(=O)Cn2cc([C@@H](C)O)nn2)cc1 1319261260 DKVYLDCTXRQIGJ-SECBINFHSA-N 319.321 -0.199 50 20 DBGD O=C(NN=Cc1cnc2ncccn12)N[C@@H]1CCS(=O)(=O)C1 1319587324 CDAVBMFSRORXBH-SECBINFHSA-N 322.350 -0.451 50 20 DBGD COC(=O)c1ncsc1S(=O)(=O)NN(C)C(=O)OC 1323551714 VATPKKNVSRVAJE-UHFFFAOYSA-N 309.325 -0.179 50 20 DBGD CCN1CCC[C@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1328719946 ZEBXOZULQKSHPW-GHMZBOCLSA-N 311.386 -0.673 50 20 DBGD COC1([C@H](C)NC(=O)NNC(=O)c2cn[nH]c2)CCOCC1 1329175569 WOCICMYBWZIJLD-VIFPVBQESA-N 311.342 -0.062 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O 1330544139 DGTRRUFACDRQOG-CIUDSAMLSA-N 307.372 -0.825 50 20 DBGD Cc1c(C(=O)NN(C)C[C@H](C)O)nnn1Cc1ccncc1 1332149369 PZACKUFHWBAQCO-JTQLQIEISA-N 304.354 -0.013 50 20 DBGD Cc1nccc(CCC(=O)NNC(=O)C(=O)N2CCCC2)n1 1343896328 SAEQYHPMUMAGBZ-UHFFFAOYSA-N 305.338 -0.513 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=S)NCCc2cccnc2)N1 1348412346 WIDSUVMPKFLZFK-SNVBAGLBSA-N 307.379 -0.602 50 20 DBGD C[S@](=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1351519969 AAMYTVIATHGNSF-MGUXCZDKSA-N 324.362 -0.145 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccncc1 1580465196 QKZVGNKPFFQONC-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)O)n1 1591111558 PSBWMFDYOHQYPS-UHFFFAOYSA-N 308.294 -0.088 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 1608780286 DGADYQGRFRNWIX-YRGRVCCFSA-N 322.317 -0.830 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cn1 1608913059 DTCMFVYAAIULLS-UHFFFAOYSA-N 310.291 -0.269 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H](C)CS(C)(=O)=O)n1 266983389 DUZQPUISRNSWTB-ZETCQYMHSA-N 302.356 -0.083 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)Cn1cnc2ccccc21 491342504 RHIOHBXRVRSIOL-UHFFFAOYSA-N 319.321 -0.070 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)OC 495368203 YUIWNSKDCWWKQB-VIFPVBQESA-N 307.372 -0.032 50 20 DBGD COC(=O)C1CCN(S(=O)(=O)NN(C)C(=O)OC)CC1 496980121 QPENZBNCLKTBBS-UHFFFAOYSA-N 309.344 -0.681 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCC[C@@H]1c1nc[nH]n1 584968527 BRABMCYQQPKNIC-GFCCVEGCSA-N 318.117 -0.009 50 20 DBGD COCC[C@@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584992953 UHTOVDZBWYOGCG-LLVKDONJSA-N 311.118 -0.617 50 20 DBGD CCS(=O)(=O)CCCNCc1ccc(B(O)O)cc1F 585045728 GDMHWNRDFZFLQG-UHFFFAOYSA-N 303.164 -0.580 50 20 DBGD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCB(O)O 585056201 QPMKUIYCECIAJP-UHFFFAOYSA-N 308.508 -0.153 50 20 DBGD CC(C)c1nc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1C 585056741 WELUDWHPXVLXSL-SECBINFHSA-N 301.177 -0.219 50 20 DBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCB(O)O)o1 585062689 VVEHWVCDHUASIL-UHFFFAOYSA-N 304.133 -0.902 50 20 DBGD O=C(CNC(=O)Nc1ccccc1)NNC(=O)c1cnn[nH]1 729456336 DAKHDQGLROVTEU-UHFFFAOYSA-N 303.282 -0.613 50 20 DBGD COc1ccccc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 731059324 NDDGGDCGOOEHHH-UHFFFAOYSA-N 315.351 -0.471 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCOC2)cc1 744872815 KSKNWPLJGNOMTG-LBPRGKRZSA-N 317.301 -0.101 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@]1(C)CCN(C(C)=O)C1 746839203 UPFNDZKCGLMDRO-ZDUSSCGKSA-N 300.359 -0.388 50 20 DBGD Cc1ncc(CNC(=O)NNC(=O)C(=O)N2CCCC2)s1 748458291 XEDNSNZJTMRDTB-UHFFFAOYSA-N 311.367 -0.096 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)C1CCC1 753117752 YWFNOFDABABPJD-SNVBAGLBSA-N 318.399 -0.459 50 20 DBGD CC(C)Cn1cc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 764202920 CWLUIFXIEXKHHU-UHFFFAOYSA-N 310.358 -0.813 50 20 DBGD CCCc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)n(C)n1 764211189 JUYMDSKQPJDGDM-UHFFFAOYSA-N 310.358 -0.980 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@@H]1COC2(CCOCC2)O1 777754910 NLTFFUTYKGZEHM-SNVBAGLBSA-N 317.342 -0.725 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)CBr)O1 782472278 NQTKHVIKJIPUPD-WDSKDSINSA-N 301.162 -0.709 50 20 DBGD O=C(COC(=O)Cc1cc[nH]n1)NNC(=O)c1ccccc1 787783513 PBBOFVOOYIWMFB-UHFFFAOYSA-N 302.290 -0.043 50 20 DBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 800333109 MBJSMWIUHKOIBL-IQJOONFLSA-N 306.322 -0.019 50 20 DBGD CCN(CCO)NC(=O)CCNS(=O)(=O)c1ccccc1 823833872 MRLCQDXHTQEZJS-UHFFFAOYSA-N 315.395 -0.300 50 20 DBGD COCCOCC(=O)NNC(=O)C(C)(C)CN1CCOCC1 825136097 FKYLMUYAPMKQOV-UHFFFAOYSA-N 317.386 -0.845 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@H]1CCCC(=O)N1 854285438 KREJRJYGQFCECW-SNVBAGLBSA-N 316.427 -0.081 50 20 DBGD Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 858528585 DRRUFXDLSOAHRM-NSHDSACASA-N 305.338 -0.458 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)O1 863103057 IXXHYFKLTLNDRQ-CRCLSJGQSA-N 305.203 -0.162 50 20 DBGD COC(=O)[C@H](CC1CC1)NC(=O)c1cc(B(O)O)ccc1F 863885996 RHRVQLHCHWPQSG-LBPRGKRZSA-N 309.102 -0.423 50 20 DBGD C#CCSCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 895511389 QEULGJJQFWSQJW-VXGBXAGGSA-N 313.423 -0.001 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 910167444 LFUMHTZZCYEGFI-CJNGLKHVSA-N 307.394 -0.033 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)c1n[nH]c(O)n1 918319671 XNABXFLYVQAJMF-UHFFFAOYSA-N 306.282 -0.608 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CC[C@@H]1NC(=O)NC1=O 1116019013 VSYJMEOWBLQANX-VIFPVBQESA-N 320.305 -0.556 50 20 DBGD CN(C)c1noc(CNC(=O)NNC(=O)c2cnn(C)c2)n1 1261210143 CZBKCGNLNAUDON-UHFFFAOYSA-N 308.302 -0.987 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2cn(C)c(=O)nc2O)cc1 1317899012 QTXINFLSTQTTJN-UHFFFAOYSA-N 318.289 -0.431 50 20 DBGD NC(=O)CSCC(=O)NNc1nc(-c2cccnc2)no1 1318590354 RBPIKSPQCHPNOD-UHFFFAOYSA-N 308.323 -0.207 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O 1318666058 SNEJMQFOIDFQGQ-UHFFFAOYSA-N 322.325 -0.847 50 20 DBGD O=C(Cc1ccc(O)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319121629 NKGZBLHONVLGBA-SNVBAGLBSA-N 312.347 -0.483 50 20 DBGD O=C(NNC(=O)c1ncn(-c2ccccc2)n1)C(=O)NC1CC1 1319798305 HRRJGXNNQBVULS-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD Cc1nnsc1CNC(=O)NNC(=O)C(=O)N1CCCC1 1324086705 FGLDTWABTSAEBL-UHFFFAOYSA-N 312.355 -0.701 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 1326128467 KLIITFMZXFRBMJ-UHFFFAOYSA-N 318.293 -0.192 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 1329628219 KZEFKYYHGOXRAW-IVZWLZJFSA-N 312.347 -0.035 50 20 DBGD CC(C)NC(=S)NNC(=O)CN1CCCCS1(=O)=O 1334748027 UKWVJTOMHCSNRK-UHFFFAOYSA-N 308.429 -0.684 50 20 DBGD CCn1c(NNC(=O)c2n[nH]c(O)n2)nc2ccccc2c1=O 1337628757 FRCMABZSQMSHIE-UHFFFAOYSA-N 315.293 -0.003 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C)n1 1339256400 CCIROOBMMUBKMB-SNVBAGLBSA-N 324.337 -0.473 50 20 DBGD O=C(Cc1csc2nccn12)NNC(=O)[C@H]1CCC(=O)N1 1348387408 LVHHEXHPWVCGIC-MRVPVSSYSA-N 307.335 -0.636 50 20 DBGD O=C(CSCC(=O)N1CCCCC1)NNC(=O)[C@H]1CCN1 1580564953 KNJGPMGIPNTPHA-SNVBAGLBSA-N 314.411 -0.759 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1588573838 LHQAHMZBDSRRHH-LURJTMIESA-N 304.262 -0.183 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)Cc1ccccc1O 1594567710 DLPDIDSOFDFDGT-UHFFFAOYSA-N 318.289 -0.172 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2cccc(C(=O)O)c2)C1=O 1606190009 YOOXMZUYDIQNLO-UHFFFAOYSA-N 306.278 -0.278 50 20 DBGD Cc1nc(C(=O)NNc2cnnn2C)ccc1-c1nn[nH]n1 1609447888 GKJIJNOVOCVXAZ-UHFFFAOYSA-N 300.286 -0.544 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccnn1C1CCCC1 1610714107 HEVDYRSETURMRH-UHFFFAOYSA-N 309.282 -0.831 50 20 DBGD CS(=O)(=O)CCNC(=O)NNC(=O)Cc1ccccc1F 66925700 QXSKWCJMQXXZAL-UHFFFAOYSA-N 317.342 -0.257 50 20 DBGD CC(=O)NNC(=O)Nc1ccccc1CN1C(=O)CNC1=O 146444021 CNROKJAUKFRBLA-UHFFFAOYSA-N 305.294 -0.089 50 20 DBGD C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CBr 227979972 KKYHXJVFQDLVQN-LURJTMIESA-N 306.203 -0.213 50 20 DBGD COC(=O)[C@@]1(NCC(=O)NNC(=O)c2ccccc2)CCOC1 272204574 BXMRMSCJUKZRAH-OAHLLOKOSA-N 321.333 -0.631 50 20 DBGD C=C(C)[C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)OCC 273367871 DNTUFSLJSRMDFS-VHSXEESVSA-N 321.399 -0.557 50 20 DBGD COCC(=O)N[C@H](C(=O)Nc1cccc(B(O)O)c1)C(C)C 584910988 FTMGWRZQANPNOK-ZDUSSCGKSA-N 308.143 -0.908 50 20 DBGD CCN1CCN(CCCNC(=O)c2ccc(B(O)O)cc2)CC1 584928099 DXKBBXZFXCRJHU-UHFFFAOYSA-N 319.214 -0.876 50 20 DBGD NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584938176 JKZDNJXNFVLNCR-SNVBAGLBSA-N 323.133 -0.832 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H](c2nn[nH]n2)C1 584965463 OPOXJDPXORTNAG-QMMMGPOBSA-N 319.105 -0.962 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CSC[C@@H]1CCCCO1 727367617 WHCFIIREUJHKAY-JTQLQIEISA-N 317.411 -0.039 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=S)NC1CCCCC1 728449926 PGPOZWBBHUTPNC-QMMMGPOBSA-N 322.456 -0.248 50 20 DBGD COc1ccc(CC(=O)NNC(=O)c2cnn[nH]2)cc1[N+](=O)[O-] 729458349 VMYIODBVZFBYFH-UHFFFAOYSA-N 320.265 -0.275 50 20 DBGD C[C@]1(NNC(=O)N[C@@H]2CCN(C3CC3)C2)CCS(=O)(=O)C1 734279518 SWTGSOJKKOVIGS-MFKMUULPSA-N 316.427 -0.396 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)COc1ccccc1F 735088129 DMFMBOHEAMNXAT-OAQYLSRUSA-N 317.342 -0.087 50 20 DBGD O=C(CN1CCN(C[C@H]2CCCO2)CC1)NNC(=O)C1CC1 738299231 MSVDUVDENIDYQK-CYBMUJFWSA-N 310.398 -0.660 50 20 DBGD Cn1ccnc1N1CCN(CC(=O)NNC(=O)C2CC2)CC1 746452519 WHVHYHAWPVWHGJ-UHFFFAOYSA-N 306.370 -0.901 50 20 DBGD Cn1ccnc(NNC(=O)c2cc3c(cc2O)OCO3)c1=O 747946033 SFPMDXIVRVUPOJ-UHFFFAOYSA-N 304.262 -0.029 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCCC1 758043049 DMPNSJVHANMBON-DTWKUNHWSA-N 305.400 -0.102 50 20 DBGD CN1CCC(CNC(=S)NNC(=O)N2CCOCC2)CC1 760479236 YRBLDLMZOLCFCR-UHFFFAOYSA-N 315.443 -0.251 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](O)[C@H](C)C2)n1 768767159 CMCAQSCRDYPNQW-PSASIEDQSA-N 312.395 -0.546 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)C(N)=O 769687258 KHVBBOULIDVIEL-MRVPVSSYSA-N 301.343 -0.377 50 20 DBGD CSCCNC(=S)NNC(=O)CS(=O)(=O)C(C)C 770241565 ZEJMTJMQYFZSRM-UHFFFAOYSA-N 313.470 -0.332 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cn(C)c(C)cc2=O)n1 774328095 VCHQZGCFISUHLF-UHFFFAOYSA-N 317.349 -0.032 50 20 DBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)C1CCC1 776942391 LUAOQZUZNLKOKY-NWDGAFQWSA-N 315.370 -0.063 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2c[nH]nc2-c2cnn(C)c2)n[nH]1 780975393 BVFPGJQPNASITH-UHFFFAOYSA-N 314.309 -0.083 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)nc2)n[nH]1 822176112 GDQLERARBDJDAC-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CCNC(=O)N(C)NC(=O)COc1cccc(-c2nn[nH]n2)c1 825470619 FKGRGZNLBCPXSL-UHFFFAOYSA-N 319.325 -0.062 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC(CC(N)=O)CC1 825760900 DKFYNQXHXLSPKY-MWLCHTKSSA-N 312.370 -0.260 50 20 DBGD CN1CCN(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 826038381 MDIHGCCQKZNEHL-UHFFFAOYSA-N 316.369 -0.443 50 20 DBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826934247 HHGLKNQKKBMIKI-LNFKQOIKSA-N 301.343 -0.454 50 20 DBGD O=C(CN1CCN(c2cccc(F)n2)CC1)NNC(=O)C1CC1 831485415 DAPZCNVLNABBPO-UHFFFAOYSA-N 321.356 -0.100 50 20 DBGD C[C@H](NC(=O)O)C(=O)OCC(=O)NNC(=O)c1ccccc1 833740479 MLXXTKZVLNROFY-QMMMGPOBSA-N 309.278 -0.353 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cc2nc(C3CC3)nn2C)n[nH]1 843843197 WACRWWQJIJBNFG-UHFFFAOYSA-N 303.326 -0.272 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC[C@H](C)CC1 846633626 BQHOJPJRBKFEJB-OPRDCNLKSA-N 305.400 -0.102 50 20 DBGD COCc1nn(C)cc1C(=O)NNC(=O)N1CCN(C)CC1 854381920 UXNAPBWLSYKQFJ-UHFFFAOYSA-N 310.358 -0.832 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNc2ncnc3[nH]cnc23)n1 857131015 WUGRVSOEZFMTDD-UHFFFAOYSA-N 316.329 -0.220 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)NC2CCCC2)c1 858852966 DCNBKMREFRXGCW-UHFFFAOYSA-N 309.326 -0.057 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860981654 XEZKOZKZVWFCFD-IUCAKERBSA-N 324.341 -0.478 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 861576518 HARSKVRQIRSWBE-VHSXEESVSA-N 315.370 -0.162 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCc3cccnc32)N1 862459380 SEMLEFPWWWEAPS-MNOVXSKESA-N 302.334 -0.073 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1C1CCCC1)c1cn[nH]c1 862470343 NMRFYZUTKFIJGG-LBPRGKRZSA-N 307.354 -0.186 50 20 DBGD COC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(B(O)O)c2)C1 863885538 JVHMZTWXNGSOBR-HNNXBMFYSA-N 305.139 -0.218 50 20 DBGD COC(=O)CCCCCS(=O)(=O)N1CC[C@H](B(O)O)C1 864230693 CNTRFIRNTOVQSE-JTQLQIEISA-N 307.177 -0.402 50 20 DBGD CN1C(=O)[C@@H]2CN(C(=O)/C(C#N)=C\c3cnn(C)c3)C[C@@H]2C1=O 871531707 LQYHFXRGCCCEDN-MCDZVTHESA-N 313.317 -0.600 50 20 DBGD N#Cc1cc(Cl)nc(NNC(=O)CN2C(=O)CNC2=O)c1 1116440406 SOSJDBBYSVRQMD-UHFFFAOYSA-N 308.685 -0.398 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 1116617960 BBFWKZNJUJQOKE-UHFFFAOYSA-N 304.306 -0.532 50 20 DBGD Cc1csc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 1118202788 FMOOWCALYYUJDU-SFYZADRCSA-N 312.351 -0.038 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 1320233854 XGEJVHAXDJSQGJ-UHFFFAOYSA-N 320.349 -0.375 50 20 DBGD Cc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)co1 1324269265 IIMBTWSCWCRAAL-VIFPVBQESA-N 301.324 -0.281 50 20 DBGD O=C(Cn1cnc2sccc2c1=O)N1CC[C@H](B(O)O)C1 1329673396 XKDYXSNBAZIFFE-QMMMGPOBSA-N 307.140 -0.467 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1334292045 GWEWDYXMOZQKFK-UMVBOHGHSA-N 320.345 -0.902 50 20 DBGD CCN(CCO)NC(=O)C1CCN(S(=O)(=O)CC)CC1 1336010338 FLYQGJCRASMJJN-UHFFFAOYSA-N 307.416 -0.607 50 20 DBGD C[C@@]1(CNC(=O)CN2C(=O)CNC2=O)C[C@@H]1Br 1348011030 MPOXPWVGWTYNSH-WKEGUHRASA-N 304.144 -0.172 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1548641906 BUEJTXVYRHJREM-WCBMZHEXSA-N 309.395 -0.399 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ncccc1C(=O)O 1589076439 ORUXKIGJNHJJMI-ZETCQYMHSA-N 301.324 -0.096 50 20 DBGD C[C@@](CCF)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1592498403 RGNIXQRRUOVDLB-LBPRGKRZSA-N 301.054 -0.562 50 20 DBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC[C@H]1C(=O)O 1594659564 DLOFLVAUSYMNTI-JGVFFNPUSA-N 313.335 -0.112 50 20 DBGD O=C(O)CCCCC(=O)NNC(=O)CNC(=O)c1cccnc1 1595032816 XXAQLRILMMPOII-UHFFFAOYSA-N 322.321 -0.396 50 20 DBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1ccc(C(=O)O)c(F)c1 1601352436 CVBZUZVMTQLWAJ-QMMMGPOBSA-N 310.241 -0.435 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN(Cc2ccccc2)C1 1601552594 AGWHOMMOBVOFSP-NSHDSACASA-N 306.322 -0.324 50 20 DBGD CCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010782 CORRIVDZNQVOKQ-UHFFFAOYSA-N 316.166 -0.407 50 20 DBGD COC(=O)C[C@H]1CN(S(=O)(=O)CBr)CCO1 127571870 XBCXSHPNXJMHKH-ZETCQYMHSA-N 316.173 -0.068 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)CC(=O)N(C)C 136277423 VVZKJNBRQIMUFI-UHFFFAOYSA-N 320.393 -0.295 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)Cn2ncn(C)c2=O)c1 179392553 ADEZCTYHHPHBOG-UHFFFAOYSA-N 318.337 -0.891 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)COc2ccccc2F)CC1 264313032 NUNWWOFIEYQZIG-UHFFFAOYSA-N 309.297 -0.122 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1=O 266987210 RELITPNXBAGTIV-GFCCVEGCSA-N 319.365 -0.036 50 20 DBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)Cc1ccncc1 267026385 XQRMLASZMRNFJH-LLVKDONJSA-N 307.354 -0.001 50 20 DBGD CCOc1ccc(S(=O)(=O)NCC(=O)NN)cc1OCC 270195223 DECALWQKKPTQMN-UHFFFAOYSA-N 317.367 -0.248 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1nc(C)cc(OC)n1 270395032 UDPCJXZKKKWTFG-UHFFFAOYSA-N 303.344 -0.824 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCSC1)[C@H]1COc2ccccc2O1 270804772 OMVGSDGIDCOFNA-BXUZGUMPSA-N 324.358 -0.158 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCCNC(=O)c1cccnc1 277953466 LTIGOBPTJPXYAG-UHFFFAOYSA-N 308.338 -0.490 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CCCN1C1CC1 278635283 LCVALJKRRDYJEM-LLVKDONJSA-N 320.349 -0.216 50 20 DBGD C[C@H](N)[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 316649046 QHXNRJQXGSAMQC-AAEUAGOBSA-N 306.366 -0.504 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC[C@H](OC(=O)N(C)C)C1 496616527 ITQBTZUAZXNRSZ-NSHDSACASA-N 314.386 -0.048 50 20 DBGD CN(CC(=O)NCC(F)(F)F)C(=O)c1cccc(B(O)O)c1 584943721 VMQQKSYHAVYYAX-UHFFFAOYSA-N 318.060 -0.883 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@](O)(C(F)(F)F)C1 584957833 SCIGSQKXUWSUOA-LBPRGKRZSA-N 317.072 -0.104 50 20 DBGD CC[C@H](C)[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)N(C)C 584983650 YROQFJBCRRWRGR-ZANVPECISA-N 324.161 -0.262 50 20 DBGD C[C@@H](C(=O)NNC(=O)NCc1ccco1)N1C(=O)CCC1=O 727732717 UNPPJSQSISIMDM-QMMMGPOBSA-N 308.294 -0.353 50 20 DBGD CC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1CCCC1=O 743328676 UIKOXIFUZKWWOT-SNVBAGLBSA-N 310.354 -0.843 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)n(C)n1 751206444 MZWPNPLEDGVPOE-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD COc1cc(C=NN(C)C(N)=O)cc(OC)c1OCC(N)=O 767909397 NAOOFLANCMXUED-UHFFFAOYSA-N 310.310 -0.088 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)NC)o1 770549504 QUBAWXGJPWRABU-UHFFFAOYSA-N 304.328 -0.506 50 20 DBGD COC(=O)Cc1csc(NC(=O)NNC(=O)CN(C)C)n1 775449124 DYEMKRLHVIGCQJ-UHFFFAOYSA-N 315.355 -0.427 50 20 DBGD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(CCCl)cc1 795159471 XSHHBJMAZIAKEA-LLVKDONJSA-N 320.798 -0.147 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3cnn(C)c3C2)cn1 798444035 NSSXTGFZOPLASY-SECBINFHSA-N 302.338 -0.280 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccnc2c1ncn2C 805170598 GSLDPQHXOQITHY-UHFFFAOYSA-N 306.326 -0.051 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1cc(CO)ccc1O 814860155 MDOQPHVSVXABGX-UHFFFAOYSA-N 318.289 -0.222 50 20 DBGD Cc1cccc2c(=O)n(CC(=O)NNc3cnnn3C)cnc12 816770030 HASDZMZPYKHCFH-UHFFFAOYSA-N 313.321 -0.023 50 20 DBGD CN(NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1CC1 819651745 TWRCYLBYWPTBKH-AWEZNQCLSA-N 324.381 -0.273 50 20 DBGD N#Cc1cccc(NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 826387130 HPJLLCUGGBFCGW-UHFFFAOYSA-N 310.281 -0.527 50 20 DBGD C[C@H]1CC=C(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 839651138 ZNRDFHIKMYXTQJ-DTWKUNHWSA-N 303.384 -0.182 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)C[C@@H](OC)C(C)C 842580965 BUEZGBDTXGQJNF-SNVBAGLBSA-N 311.404 -0.173 50 20 DBGD CNC(=S)N(C)NC(=O)c1cccc(CS(N)(=O)=O)c1 854925165 DRBJIJQUTRHTHY-UHFFFAOYSA-N 316.408 -0.444 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](C)S1 858695357 DJYREPZBPSHGCM-IWSPIJDZSA-N 300.384 -0.168 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@](C)(CO)[C@@](C)(CO)C1 859823538 JOLSZVPUNCBTQF-LEWSCRJBSA-N 301.387 -0.755 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 873765965 SDLSLESZVSAQCU-BQBZGAKWSA-N 324.328 -0.018 50 20 DBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)N1CCOCC1 874248447 UTNSNDZJIWSMFV-UXBLZVDNSA-N 300.340 -0.894 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCCC(=O)N1C 905342078 DYGJHCAMVNVISY-SNVBAGLBSA-N 316.427 -0.129 50 20 DBGD O=C(Cn1cccnc1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 915190647 GURYHMBHOJXZPY-UHFFFAOYSA-N 317.261 -0.387 50 20 DBGD Cn1nncc1NNC(=O)Cn1nc2n(c1=O)CCCCC2 1118826315 BTBRXWIVVSVOIS-UHFFFAOYSA-N 306.330 -0.957 50 20 DBGD Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1118884391 HCWVLYZTIIQEIP-SECBINFHSA-N 308.338 -0.005 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ncc(C(N)=O)cc2Cl)cn1 1320059736 ZVFOLCBXYUFVEC-UHFFFAOYSA-N 322.712 -0.358 50 20 DBGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNC(=O)C3CC3)ccc21 1320349227 XKSMXJFCWLNXQT-UHFFFAOYSA-N 318.289 -0.373 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccn(C2CCCCC2)n1 1322104654 PEALXCJRNVHAFD-UHFFFAOYSA-N 323.353 -0.143 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)c1ccccn1 1325503625 NDGLUQUKBKTYIY-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD COC[C@H](OC)C(=O)NNc1ccccc1S(N)(=O)=O 1328638512 YVFKMLZSDDMKOC-VIFPVBQESA-N 303.340 -0.562 50 20 DBGD CCn1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)nn1 1330141338 FFJMZMNPFOHJMD-LLVKDONJSA-N 316.387 -0.821 50 20 DBGD O=C(NNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)C1CC1 1330183189 DHEDCUTZEVFCFG-NKWVEPMBSA-N 314.285 -0.233 50 20 DBGD CCCN1CCC(NC(=O)NNC(=O)C(=O)NC2CC2)CC1 1330238214 VRZBLKQGJPMCAD-UHFFFAOYSA-N 311.386 -0.530 50 20 DBGD N#Cc1cnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(Cl)c1 1335419421 SYXIQTODISAVPF-MRVPVSSYSA-N 307.697 -0.354 50 20 DBGD CCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)C1CCOCC1 1336945661 QRWDFJUKCSPUQY-NEPJUHHUSA-N 315.370 -0.063 50 20 DBGD CSCc1noc(CCC(=O)NNC(=O)CN(C)C)n1 1340889852 FJJYZUMHMSTDNX-UHFFFAOYSA-N 301.372 -0.426 50 20 DBGD N[C@@H]1CC[C@H](CC(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)C1 1580387763 UMHJDNWQAHRMGE-SCRDCRAPSA-N 324.425 -0.095 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1F)c1ncon1 1593158601 UJIOYBXQUBRAMJ-UHFFFAOYSA-N 318.228 -0.536 50 20 DBGD CN1CCN(CC(=O)NNc2cccc(C(=O)O)c2F)CC1=O 1598616012 MPICWDRCUKVROO-UHFFFAOYSA-N 324.312 -0.259 50 20 DBGD Cn1c2c(ccc1=O)[C@H](NC(=O)NNC(=O)C(=O)O)CCC2 1600923063 VKKCAOTXFPZRGP-MRVPVSSYSA-N 308.294 -0.822 50 20 DBGD Cn1ccnc(NNC(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)c1=O 1600981191 OCCKFTWTOHDKLW-DTWKUNHWSA-N 310.310 -0.507 50 20 DBGD CC(C)(C(=O)O)C(=O)NNc1ccccc1S(N)(=O)=O 1602836783 LZEXHRRWHNAGBT-UHFFFAOYSA-N 301.324 -0.112 50 20 DBGD O=C(NN=Cc1csc(-c2nn[nH]n2)c1)[C@H]1COCCO1 1606849517 LNMKWZHBKWTEQI-MRVPVSSYSA-N 308.323 -0.206 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1cccc(C(=O)O)c1 1608478916 ADRJDHCFKIQVBS-JTQLQIEISA-N 309.278 -0.047 50 20 DBGD O=C(CNC(=O)NNC(=O)C(=O)O)Nc1ccc(F)c(F)c1 1610665015 RQYBZIJAGGIPTH-UHFFFAOYSA-N 316.220 -0.682 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 43934598 HYJNZIXSTDBQTR-QMMMGPOBSA-N 316.358 -0.428 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNc2cccnn2)C1=O 265555794 RKZBKXJNBGTFGE-ZDUSSCGKSA-N 304.310 -0.360 50 20 DBGD O=C(CN1CCC[C@H]1CO)NNC(=O)c1cccc([N+](=O)[O-])c1 270919534 IVHYEONOQVUBCF-LBPRGKRZSA-N 322.321 -0.188 50 20 DBGD COC[C@@](C)(NCC(=O)NNC(=O)c1ccccc1)C(=O)OC 273191466 CVJMVDYMCQVQRR-OAHLLOKOSA-N 323.349 -0.385 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1ccc(C#N)cc1 277966666 NCGFMJIWPPEBKI-UHFFFAOYSA-N 304.306 -0.794 50 20 DBGD CN(C)C(=O)O[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 495970744 QFTALVZZASTAJD-LLVKDONJSA-N 312.370 -0.294 50 20 DBGD CCOC(=O)NNC(=O)[C@@H](C)[C@H](C)C(=O)NNC(=O)OCC 497234229 VTVSRKSFRMBHOI-YUMQZZPRSA-N 318.330 -0.187 50 20 DBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)Cn1cccn1 584929998 GBZSNYSCUJSGDN-JTQLQIEISA-N 305.118 -0.232 50 20 DBGD CC(C)NC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584942784 NFYVWQDDPUJKLN-UHFFFAOYSA-N 319.170 -0.758 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNCc2ccc(B(O)O)cc2)O1 585034722 NBRNHBFRAWDQGA-KGLIPLIRSA-N 306.171 -0.908 50 20 DBGD O=C1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CN1C1CC1 585052963 CFIRHRFSMZVWLY-SNVBAGLBSA-N 313.122 -0.105 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)cn1 728517984 DFLNTVHJUPKDPF-UHFFFAOYSA-N 307.310 -0.872 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(NC(=O)C2CC2)CC1 732198161 VUOSVCVOIIFGDS-SNVBAGLBSA-N 310.398 -0.077 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)CC1CCOCC1 735248524 KPTMDSANYWIWRF-UHFFFAOYSA-N 309.322 -0.027 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCOC[C@@H]2CCCO2)cn1 735514838 FJKBYJKKOOLDJA-NSHDSACASA-N 311.342 -0.440 50 20 DBGD COCCN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 736987433 CFNUITUMEYJBRD-UHFFFAOYSA-N 319.325 -0.201 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737954749 REHFACUXNAEROJ-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc(OC)nc1 740852647 GYPCUJUCZDNJOV-UHFFFAOYSA-N 309.326 -0.449 50 20 DBGD CC(C)(C)OC(=O)NC1(CC(=O)NNC(=O)CO)CCC1 753438441 DSBDNBCSHMQBAP-UHFFFAOYSA-N 301.343 -0.036 50 20 DBGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)CO)cc1F 764421358 MYSPUNILBMOXRW-UHFFFAOYSA-N 303.221 -0.948 50 20 DBGD CC(C)COc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764422032 UUTMCIUKWGUSEQ-UHFFFAOYSA-N 309.322 -0.200 50 20 DBGD CN1CCN(C(=O)NNC(=O)CSc2nncs2)CC1 773673827 PHWUDYGXAXARMY-UHFFFAOYSA-N 316.412 -0.382 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](SC)[C@@H](N(C)C)C1 775999647 HZUOPWCLTJTKKQ-DCAQKATOSA-N 302.444 -0.090 50 20 DBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)N1CCOCC1 795819064 GQBDLNZMXZUQCO-ONGXEEELSA-N 300.359 -0.390 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)n1cnc(C#N)n1 798968987 SEAOHCVSNCQURD-QMMMGPOBSA-N 321.341 -0.837 50 20 DBGD NS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1 799982153 VOIMEZUKNKBDEF-SECBINFHSA-N 304.372 -0.720 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CCNC2=O)nc2ccccc2c1=O 827627272 OUPOMSSFEHRWAI-SECBINFHSA-N 301.306 -0.487 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NN=c1cc[nH]cc1Cl 832242562 HSITVRCOWQVACP-ZETCQYMHSA-N 306.775 -0.072 50 20 DBGD CO[C@@H](CS(=O)(=O)NNC(=O)N1CCOCC1)C(C)C 842581700 URBBWGDUVIHEBW-JTQLQIEISA-N 309.388 -0.466 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](CN)C2(CCOCC2)C1 843388655 VTBUELJLEAVHLY-VXGBXAGGSA-N 312.414 -0.380 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843658459 KXIBFYHWSRTYJX-JLLWLGSASA-N 309.366 -0.040 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)S(=O)(=O)CCO1 843980158 RLTANPXMCNNFDB-IONNQARKSA-N 318.351 -0.765 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](O)c1cnn(C)c1 854286063 SAZUPEYIRZEAAR-JTQLQIEISA-N 315.399 -0.673 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855834065 WZLJZLVIWRZCJJ-UHFFFAOYSA-N 314.386 -0.398 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1cccc(F)n1 856423002 JYHJSZUGQFQUOU-CPCISQLKSA-N 324.312 -0.743 50 20 DBGD N#Cc1ccc(F)c(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858254066 CAIHHUVQDJHNCV-NSHDSACASA-N 319.296 -0.194 50 20 DBGD CC1(C)C[C@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858528143 CSVJUHNOYWWERX-ZJUUUORDSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCc2ccc(O)cc2)N1 858696392 KQFDMGBMHRCFTO-GFCCVEGCSA-N 320.349 -0.066 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC([C@H]3CCOC3)CC2)N1 858699634 VJNBTIFBELNDEI-RYUDHWBXSA-N 324.381 -0.246 50 20 DBGD O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1CCC(=O)N1 862448673 FXCFTFBJYYJBLV-SECBINFHSA-N 306.278 -0.437 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)CCOC3)N1 862463454 DQCCJUHYBRRYQB-GFCCVEGCSA-N 303.318 -0.201 50 20 DBGD C[C@H]1CCC[C@H](OCC(=O)NNC(=O)CS(C)(=O)=O)C1 863463547 MPDIVQONFMIQHL-UWVGGRQHSA-N 306.384 -0.226 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NN(C)[C@H](C)CO)C1 911445157 NJRMPAHFKCETKW-VXGBXAGGSA-N 301.387 -0.395 50 20 DBGD COCCCNC(=O)NNC(=S)NC1CCN(C)CC1 920833467 PUANFJWSEGIUAL-UHFFFAOYSA-N 303.432 -0.205 50 20 DBGD COc1cccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 1116600118 QCALAACNTOHSMD-UHFFFAOYSA-N 317.305 -0.253 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 1118858618 OKTCVMRGELIQQQ-NEPJUHHUSA-N 320.349 -0.017 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCCCNC(N)=O 1261501507 DDKFSBJBQIIIMF-VHSXEESVSA-N 300.359 -0.213 50 20 DBGD CN(C)[C@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 1318521944 ZDCWDZIQGWPSHF-MNOVXSKESA-N 311.386 -0.532 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)Cc1ccncc1 1318890742 OTUSGVMLARTANM-UHFFFAOYSA-N 304.306 -0.689 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@H]3COCCO3)nc21 1319276409 LHXACHNJXHLHLU-ZETCQYMHSA-N 323.313 -0.890 50 20 DBGD COC(=O)CCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1320237336 KLKVQJWFKOPRHG-UHFFFAOYSA-N 308.298 -0.145 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccoc1CC(N)=O 1321914756 JFVJMQQJOLLBOW-UHFFFAOYSA-N 316.408 -0.221 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 1323453038 CQRYOEYIFHNCKZ-IUCAKERBSA-N 314.342 -0.721 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cc(F)ccc1Cl 1325519775 PAPWPSQDGYQABB-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD Cc1nnc(NNC(=O)C2(S(C)(=O)=O)CCCC2)nc1O 1331033798 XOCHUZSLQHBGRO-UHFFFAOYSA-N 315.355 -0.314 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1335396039 RNZQIBPNLNTQQU-MRVPVSSYSA-N 303.344 -0.643 50 20 DBGD C[C@@]1(CNC(=O)C(=O)NCCCON)C[C@H]1Br 1353160455 UKUODPLGWLGKBW-XCBNKYQSSA-N 308.176 -0.327 50 20 DBGD COC[C@]1(C(=O)NCCSS(C)(=O)=O)CCCCN1 1578973852 ANEYWAMSSVMDLA-NSHDSACASA-N 310.441 -0.046 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)N(C)Cc1ccccc1 1592676092 KPEHAVASNONPRY-SNVBAGLBSA-N 308.338 -0.078 50 20 DBGD COCCOCC(=O)NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1606901137 RQKWSIHOXFVSKX-VHSXEESVSA-N 318.326 -0.933 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(O)CCOCC1 1609559060 DNAIRUZZLFXDEU-UHFFFAOYSA-N 304.310 -0.149 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H](C)CS(C)(=O)=O)n1 266983388 DUZQPUISRNSWTB-SSDOTTSWSA-N 302.356 -0.083 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCCn1cccn1 267188586 OBOVOFWGXAEZTK-NSHDSACASA-N 313.358 -0.345 50 20 DBGD COc1ccc(C(=O)NNC(=O)NC2CC2)cc1-n1cnnn1 273234986 SGQAAFMRKYZGQY-UHFFFAOYSA-N 317.309 -0.223 50 20 DBGD C#CCn1ccnc1C=NNC(=O)[C@H](C)CN1CCOCC1 491652122 LIXIXDHJCPMYMF-CYBMUJFWSA-N 303.366 -0.065 50 20 DBGD N#CCCN(CCC#N)C(=O)COc1ccc(B(O)O)cc1 584909121 FHFQONWDUXBOEH-UHFFFAOYSA-N 301.111 -0.599 50 20 DBGD N#CCCN(C[C@H]1CCOC1)C(=O)c1cccc(B(O)O)c1 584943731 VQNXROTVRZXBGO-GFCCVEGCSA-N 302.139 -0.241 50 20 DBGD CSC[C@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584948237 FEFPOPYENHOZJB-GFCCVEGCSA-N 301.148 -0.651 50 20 DBGD CC(C)c1nncn1CCNC(=O)c1cc(B(O)O)ccc1F 584948406 LOOXWXBKBJROPA-UHFFFAOYSA-N 320.133 -0.350 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@H](c2ncon2)C1 584972774 GWJMWZCZUMYRAM-NSHDSACASA-N 321.073 -0.898 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)CNC(=O)c1ccco1 726757450 VISTVBNPLMADDM-UHFFFAOYSA-N 310.310 -0.929 50 20 DBGD Cn1cc(C(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cn1 726767462 WULAPXRAERTCLJ-UHFFFAOYSA-N 320.280 -0.032 50 20 DBGD O=C(NNS(=O)(=O)c1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 736538818 DQDPCOMHINAJRU-UHFFFAOYSA-N 311.279 -0.059 50 20 DBGD C[C@H](c1ccccc1)[C@H](NCC(=O)NNC(=O)C1CC1)C(N)=O 794722639 YVJYXNGZHZREES-YGRLFVJLSA-N 318.377 -0.209 50 20 DBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)CC2 802026271 CPQQQZIJBXMHAG-JTQLQIEISA-N 315.337 -0.181 50 20 DBGD CCN1C[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1=O 852367960 AMXOSZQGGCWXPW-MRVPVSSYSA-N 309.301 -0.215 50 20 DBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCS1 858696801 NLUDLACJGWFDMG-RKDXNWHRSA-N 300.384 -0.167 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H](CO)C2CCCCC2)N1 858697016 PLBMHWLLECFGAE-GHMZBOCLSA-N 312.370 -0.463 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H](O)c2ccccc2Cl)N1 862457630 MRFNDXIQAREZCZ-GXSJLCMTSA-N 311.725 -0.201 50 20 DBGD O=C(NNC(=O)C1CCN(c2cnccn2)CC1)c1cn[nH]c1 862473435 QROZZYGNASHHBB-UHFFFAOYSA-N 315.337 -0.123 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCOc2ccccc21 863461645 PLJMZHKWNXOYEZ-SNVBAGLBSA-N 312.347 -0.255 50 20 DBGD COC(=O)CN(C(=O)c1ccc(B(O)O)cc1)C1CCCC1 863875846 GUTSNLCVXCMVIJ-UHFFFAOYSA-N 305.139 -0.076 50 20 DBGD COC(=O)CNC(=O)CNC(=O)[C@]1(C)C[C@H]1Br 907882163 ROJBVUGYOBAESW-LHLIQPBNSA-N 307.144 -0.435 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnn1CCN(C)C 911501944 BAWFTHVHDNJUFI-QWRGUYRKSA-N 309.370 -0.369 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)cc1OC 915685464 DLUPAGCZYCOQGA-SNVBAGLBSA-N 321.333 -0.009 50 20 DBGD Cn1cc(C=NNC(=O)c2ccc(Cl)nc2)c(=O)n(C)c1=O 915974975 BCJLHOWQNZBJQA-UHFFFAOYSA-N 321.724 -0.104 50 20 DBGD CN(C)C(=O)CCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1115887660 GDAWARRACVNGPF-GFCCVEGCSA-N 320.415 -0.764 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-n2cncn2)nc1 1116029158 ZKLMJJHMOBEHET-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCCOC1 1116519177 ZQXNBCKWGRAPAF-CABZTGNLSA-N 304.368 -0.615 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1317702799 ZSDUVXMLDLIACL-UHFFFAOYSA-N 320.261 -0.495 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc2cnccc12 1321152670 WAHLABYEGUNESM-UHFFFAOYSA-N 302.290 -0.297 50 20 DBGD Cn1cc(C(=O)NNC(=O)NNC(=O)c2ccccc2)cn1 1322969716 ODYBZYUVBQMMOL-UHFFFAOYSA-N 302.294 -0.291 50 20 DBGD COCC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 1325434242 RDAWTKVEOGACKH-VIFPVBQESA-N 304.368 -0.615 50 20 DBGD O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCS(=O)(=O)N1 1326498197 XHEZKZKSQBCSEK-QMMMGPOBSA-N 324.322 -0.734 50 20 DBGD COc1c(F)cc(NC(=O)C(=O)NNC(=O)CCO)cc1F 1337980583 JCFDWWOGAZCGDU-UHFFFAOYSA-N 317.248 -0.558 50 20 DBGD Cc1sc(=O)n(CC(=O)NNC(=O)Cc2cc[nH]n2)c1C 1342408379 PAWVGPYDGWUHJX-UHFFFAOYSA-N 309.351 -0.360 50 20 DBGD CCc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)co1 1342952445 UXXNVXHANOSEDP-SSDOTTSWSA-N 301.324 -0.567 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C2CCOCC2)nn1 1349433583 QSZUBIMZGPSCNP-GXSJLCMTSA-N 323.353 -0.184 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(N2CCCC2=O)C1 1521622931 NBWSCRPPVCTFOV-KOLCDFICSA-N 310.354 -0.541 50 20 DBGD COCCOCC(=O)NNC(=O)Nc1cccnc1C(=O)O 1574163477 RFQZFNUULVTBLA-UHFFFAOYSA-N 312.282 -0.405 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccn2nnnc2c1 1582562467 ROJONLGNBHQUNP-UHFFFAOYSA-N 323.280 -0.544 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCCCCC1)[C@H]1COCCO1 1594779008 IBASMBPTFKGHEO-SNVBAGLBSA-N 314.338 -0.026 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)N1 1602637743 FVPJILYWWQXZHY-ZOZBQHSOSA-N 324.337 -0.905 50 20 DBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)O 1800751802 YDENFHYZESUXRG-HGCLJGPKSA-N 318.801 -0.026 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[C@@H]1CCCO1 32261315 YHXSHXAKUOTGTH-PWSUYJOCSA-N 321.333 -0.046 50 20 DBGD CN1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 263670815 IVEQIMJPBYMPKV-SECBINFHSA-N 310.379 -0.281 50 20 DBGD CC(C)CCC(=O)NCC(=O)NNC(=O)C(=O)NC(C)C 264698119 DNXUTYNLWDKGBC-UHFFFAOYSA-N 300.359 -0.789 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 282574364 DCXBHMJNEUOSPA-UHFFFAOYSA-N 322.321 -0.221 50 20 DBGD O=C(CC1CC1)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 294056344 GBXQZGZUVVLTKV-UHFFFAOYSA-N 324.362 -0.569 50 20 DBGD COC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCCO1 584983921 RMAGKXQIFZFRJA-QWHCGFSZSA-N 311.118 -0.571 50 20 DBGD Cc1noc(C2CN(C(=O)c3ccc(B(O)O)c(F)c3)C2)n1 584984078 XQFWRQPEODSTIG-UHFFFAOYSA-N 305.074 -0.563 50 20 DBGD O=C(NC1(CCO)CCOCC1)c1ccc(B(O)O)c(F)c1 585006860 PUMLQDIDANQMCK-UHFFFAOYSA-N 311.118 -0.833 50 20 DBGD COc1ccccc1C(=O)N[C@@H](C(=O)NCB(O)O)C(C)C 585054356 KNDOFHCCHYMKIO-GFCCVEGCSA-N 308.143 -0.422 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=S)NCC(N)=O)c1 727065358 WYJHFXMECHDSTN-UHFFFAOYSA-N 310.379 -0.337 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NN=C1CCCS(=O)(=O)C1 731924806 KJFHYIMBISOPFV-NSHDSACASA-N 317.411 -0.365 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1 739129215 RJCKORCXTOXEED-MNOVXSKESA-N 303.274 -0.195 50 20 DBGD O=C(COC(=O)[C@H]1C[C@H]1C(=O)O)NNC(=O)c1cccs1 739319287 IKUHYYIGOCAFIA-RQJHMYQMSA-N 312.303 -0.227 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3nnc(C)n3C2)n[nH]1 750796378 WCANUJHRFWEFAO-SECBINFHSA-N 303.326 -0.358 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)Cc1nc[nH]n1 751475793 PNYYMCGUSIZHPZ-UHFFFAOYSA-N 313.321 -0.431 50 20 DBGD CC[C@H](C)OCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751696154 BPLABIYUSRLHMB-IUCAKERBSA-N 307.372 -0.681 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cn(C(C)C)cn1 753964520 RACNWZFULSXOCW-UHFFFAOYSA-N 319.387 -0.007 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ncc(F)cn1 760905416 IMLJWAKRUSUQNK-MRVPVSSYSA-N 303.319 -0.517 50 20 DBGD O=C(CO)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 777782800 OXSUFGDGLNRLPI-UHFFFAOYSA-N 308.262 -0.564 50 20 DBGD CC1(C)OC[C@@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)O1 783279445 ZNQIHZMTUWBVIY-SECBINFHSA-N 314.342 -0.909 50 20 DBGD O=C(CN1CCSC[C@H]1CO)NNC(=O)c1ccccc1 784240076 RHCSMPNNJFPIQH-GFCCVEGCSA-N 309.391 -0.143 50 20 DBGD O=C(CCn1cnccc1=O)NNC(=O)N=c1cc[nH]cc1 816595772 AFEQLQZHXVENSD-UHFFFAOYSA-N 302.294 -0.697 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C(N)=O)c1ccccc1 825659924 CIWPORUAFDMWRP-DLOVCJGASA-N 320.349 -0.032 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nc(N(C)C)no1 827057506 GHWXMXQVDDEXGZ-SFYZADRCSA-N 312.330 -0.609 50 20 DBGD COC(=O)C[C@H](N)C(=O)NNc1nc(-c2ccncc2)no1 828217675 JPJNDGHXHUFJBJ-QMMMGPOBSA-N 306.282 -0.535 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842586764 PLBPERJUKMRNAA-ZJUUUORDSA-N 316.383 -0.229 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1ccc(Cl)cn1 852108370 CLISMTNFIGZMIF-UHFFFAOYSA-N 312.717 -0.087 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)c1cc[nH]n1)C2 855354618 FUQLQFUKXWLGFX-QXEWZRGKSA-N 319.321 -0.186 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)OCC(F)(F)F)c1=O 856018651 FWYYHHBHJDCDAO-UHFFFAOYSA-N 311.220 -0.708 50 20 DBGD CN1CCCC[C@@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858701398 KQWOMMCBRHYIFJ-WDEREUQCSA-N 311.386 -0.673 50 20 DBGD COC(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1 863378644 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CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)s1 1331895668 NOWPOMFPSRZGCG-SSDOTTSWSA-N 303.170 -0.160 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 1337969060 VGNWHUNYIGTPAG-UHFFFAOYSA-N 319.321 -0.239 50 20 DBGD CC(=NNC(=O)Cc1cc(O)nc(S)n1)c1cnnn1C 1343881644 IVOSEZRLYKOTKR-UHFFFAOYSA-N 307.339 -0.318 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cccn2nnnc12 1582562233 LWKLCXRHXZQWOJ-UHFFFAOYSA-N 323.280 -0.544 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)O 1589497706 RITTVKSCDJNDGM-MRVPVSSYSA-N 314.342 -0.514 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2 1594164095 RBAVAFPFVWRLGJ-UBJUHAIHSA-N 318.351 -0.931 50 20 DBGD CN(C)N(C(=O)c1cc(C(=O)O)on1)[C@H]1CCS(=O)(=O)C1 1598257484 MJYUYQFBSCMHBM-ZETCQYMHSA-N 317.323 -0.521 50 20 DBGD O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)NNC(=O)C(=O)O 1601547630 MMIONNYQTSUUPG-UHFFFAOYSA-N 322.256 -0.474 50 20 DBGD O=C(O)CC1(C(=O)NNC(=O)c2cccnn2)CCOCC1 1606071473 BOSCFUNDVHSQEH-UHFFFAOYSA-N 308.294 -0.491 50 20 DBGD O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](B(O)O)C1 1607070181 MYINFJAXUVUEIZ-SECBINFHSA-N 323.143 -0.896 50 20 DBGD CC(C)(NCC(=O)NNC(=O)C1CC1)c1nocc1C(=O)O 1609680380 KURFDORLOIVIHC-UHFFFAOYSA-N 310.310 -0.245 50 20 DBGD Cn1ncc(C(=O)O)c1C=NNC(=O)CNC(=O)c1ccco1 1776040824 YEPZMZWHAJGPPM-UHFFFAOYSA-N 319.277 -0.409 50 20 DBGD Cn1cc(C(=O)NN=Cc2cccn3c(C(=O)O)cnc23)nn1 1776092224 DHUOSZYOFQUJPO-UHFFFAOYSA-N 313.277 -0.075 50 20 DBGD CNC(=O)NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 48950067 GMENGUNAWWMBGD-UHFFFAOYSA-N 300.340 -0.773 50 20 DBGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C(=O)NC(C)C)c1C 53638849 LFURAGQZHJMJNP-UHFFFAOYSA-N 324.337 -0.296 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCN1CCOCC1 114464463 CAZALXJJFUJWMV-ZDUSSCGKSA-N 314.430 -0.168 50 20 DBGD O=C(NNC(=O)C1CCC1)C1=CC=CN2CCS(=O)(=O)N=C12 264669215 GFIDMYKRENOBEB-UHFFFAOYSA-N 324.362 -0.569 50 20 DBGD Cc1cncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 273463616 ICQOVNJIBAPVFY-MRVPVSSYSA-N 300.340 -0.911 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 276882124 RLKQVVFPSHAIIA-GFCCVEGCSA-N 321.337 -0.059 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2n1 295713013 KAMDLHQJDDNPEF-SECBINFHSA-N 305.294 -0.419 50 20 DBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C12CCC2 363292778 OLECGGRGOXGIEN-MNOVXSKESA-N 324.381 -0.057 50 20 DBGD CN(C[C@H](O)C(F)(F)F)C(=O)c1cc(B(O)O)ccc1F 584969745 IOFNJPFRIQPXRD-VIFPVBQESA-N 309.024 -0.499 50 20 DBGD CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(B(O)O)c1 584978999 HVNAFXFYAOQGOM-CYBMUJFWSA-N 304.155 -0.647 50 20 DBGD CCN(CC)S(=O)(=O)CCNCc1ccc(B(O)O)cc1 585023633 KIKCBGCEENNEMW-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD CN(C)[C@@H](CNCc1cccc(B(O)O)c1)c1cnn(C)c1 585027442 AHACTXNEEJDLIY-HNNXBMFYSA-N 302.187 -0.508 50 20 DBGD Cc1cc(OCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)no1 728176973 VAPBJFKSJVUHAU-JTQLQIEISA-N 317.367 -0.146 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C1CCCC1 730090986 VQOCSDXZRCLADC-CYBMUJFWSA-N 307.354 -0.206 50 20 DBGD 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319.774 -0.020 50 20 DBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1325940389 IDUBLBQROZHDRE-UWVGGRQHSA-N 301.368 -0.418 50 20 DBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)n1 1326515453 PZLIHSZKZJQYLL-UHFFFAOYSA-N 320.305 -0.246 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 1327251100 LQAIAVURKUUHKG-SNVBAGLBSA-N 313.335 -0.852 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CCCn2nccc21 1328008874 GFPFNBJBMBOCNZ-UHFFFAOYSA-N 302.294 -0.059 50 20 DBGD CC(C)n1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)n1 1329074277 VXMIOQJCVZVSEV-UHFFFAOYSA-N 308.342 -0.427 50 20 DBGD C[C@@H](OC1CCCCC1)C(=O)NNC(=O)CS(C)(=O)=O 1329208122 NKMITAYMCRXTLS-SECBINFHSA-N 306.384 -0.084 50 20 DBGD O=C(C[C@@H]1CCC(=O)N1)NNc1ccc(-n2ccnc2)nn1 1334407343 CLRGAXXNMMAHDI-VIFPVBQESA-N 301.310 -0.226 50 20 DBGD Cc1ncsc1CCC(=O)NNC(=O)CS(C)(=O)=O 1335368708 VKSGBRXKWZVROW-UHFFFAOYSA-N 305.381 -0.424 50 20 DBGD COC(=O)c1ccc(NNC(=O)c2cn(C)c(=O)nc2O)nc1 1335972658 CENDOOBPYAILOP-UHFFFAOYSA-N 319.277 -0.576 50 20 DBGD 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321.117 -0.483 50 20 DBGD CC(C)n1cnnc1CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584991520 BRWONSTYECUSFO-UHFFFAOYSA-N 320.133 -0.050 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)N1CCO 584998422 PVEBFAZKEZBOBN-PHIMTYICSA-N 324.161 -0.967 50 20 DBGD COCc1nc2n(n1)C[C@H](NCc1cccc(B(O)O)c1)CC2 585029178 WQFUMZUYTDFGFM-CYBMUJFWSA-N 316.170 -0.791 50 20 DBGD CCn1c(S)nc2cc(C(=O)NCB(O)O)ccc2c1=O 585060956 MHNRQBLCBBHZCT-UHFFFAOYSA-N 307.140 -0.553 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNc1nc(C)cc(C)n1 731866420 HWIBXDOUYBKXQJ-UHFFFAOYSA-N 322.369 -0.431 50 20 DBGD CC(C)[C@H](NC(=O)O)C(=O)NNC(=O)C(=O)N1CCCC1 736377324 ZNEJCYFLEJEVEX-QMMMGPOBSA-N 300.315 -0.952 50 20 DBGD C[C@H](NC(=S)NNC(=O)Cn1ccc(O)nc1=O)C1CC1 751619531 OBQOTTADEFUYJU-ZETCQYMHSA-N 311.367 -0.757 50 20 DBGD O=C(CO)NNC(=O)CNC(=O)c1c(F)cccc1Cl 753438700 QWPQTBMHHRWUFD-UHFFFAOYSA-N 303.677 -0.651 50 20 DBGD C#CCOCCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 756746910 YRMZLBZMEQFLIZ-CHWSQXEVSA-N 311.382 -0.327 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2n(n1)CCCO2 763362623 CBPLXKMWVWIGNH-MRVPVSSYSA-N 310.310 -0.232 50 20 DBGD COCCOc1cccc(CC(=O)NNC(=O)CN(C)C)c1 772440279 BKLCGOFWUBAXSE-UHFFFAOYSA-N 309.366 -0.037 50 20 DBGD COCc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 773541086 GGWBCHLDVDHVHC-UHFFFAOYSA-N 308.338 -0.520 50 20 DBGD COc1ccc(C(=O)NNC(=O)C2CN(C(C)=O)C2)cc1OC 788143461 KKMTWFGPCGHIIL-UHFFFAOYSA-N 321.333 -0.057 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCc2nncn2C1 793271642 ODWHJDJVSIPQDS-MRVPVSSYSA-N 314.440 -0.301 50 20 DBGD Cn1cnc(C(=O)NNC(=O)COc2ccc(C#N)cc2)n1 810540250 FLHHPYFAZDUJDP-UHFFFAOYSA-N 300.278 -0.473 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccc(C(N)=O)cc1 843644755 DHHMSGCZKJCFKA-JOYOIKCWSA-N 321.333 -0.263 50 20 DBGD COCCCNC(=S)N(C)NC(=O)Cc1n[nH]c(C)n1 854286015 LWSCSZYOLPPLQF-UHFFFAOYSA-N 300.388 -0.470 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCN(CC(F)F)C1 858546139 NLHAVPOCLVWIQF-MRVPVSSYSA-N 302.285 -0.307 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNc1nc2ccccn2n1 861294690 BKRQBUKUKMLPLZ-QMMMGPOBSA-N 323.382 -0.038 50 20 DBGD COC[C@](C)(CC(=O)OC)NC(=O)c1ccc(B(O)O)cc1 863876840 KXNMLGAPIHXLTK-AWEZNQCLSA-N 309.127 -0.936 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CCCNC1=O 868431861 WVDWACBSFVHJRB-NSHDSACASA-N 305.334 -0.089 50 20 DBGD C#CC[C@@H](CCOC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 875920100 VXDYBRHNZFGZCJ-WCQYABFASA-N 317.411 -0.204 50 20 DBGD O=C(N[C@@H]1CCCC12OCCO2)c1cc(B(O)O)ccc1F 912819038 VBHADEFRBJKALC-GFCCVEGCSA-N 309.102 -0.469 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CCCS1(=O)=O 1118185400 BMHSKGCSJQQMJP-AEJSXWLSSA-N 319.383 -0.681 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)o1 1118374651 VEPFPMYVUCKRLE-ZETCQYMHSA-N 317.323 -0.581 50 20 DBGD C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H]1CN(C)CCO1 1119290578 WFGDWWFFUSVOTD-JQWIXIFHSA-N 314.386 -0.538 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCc2nnc(C)n2C1 1255117506 DHCULLYCWZIEJK-SCZZXKLOSA-N 323.353 -0.362 50 20 DBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 1318220891 KAJUAVSFBARHBD-NSHDSACASA-N 310.354 -0.985 50 20 DBGD CCN1CCOC[C@H]1C(=O)NNc1nncc(N)c1Cl 1329036400 IWDRRUYEOQOXAS-QMMMGPOBSA-N 300.750 -0.124 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)OCC(F)(F)F 1331284684 XZGPCAVXPLREHT-UHFFFAOYSA-N 301.221 -0.541 50 20 DBGD CCNC(=O)NNC(=O)c1cn(CC(OCC)OCC)nn1 1338368999 RQFCCRJTGRRPRO-UHFFFAOYSA-N 314.346 -0.359 50 20 DBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)c3ccc[nH]3)C2)cn1 1339229797 CIXVOKXECQGNKN-SNVBAGLBSA-N 317.353 -0.029 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1nc(C(C)(C)C)ns1 1342599807 BZCYJDWAEBFBDJ-UHFFFAOYSA-N 315.355 -0.432 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1cncs1 1343218333 DTKOONUDCNOOCU-UHFFFAOYSA-N 308.319 -0.144 50 20 DBGD C[C@H](CCS(C)(=O)=O)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1345733180 NTNVFDSKGGJROA-BBBLOLIVSA-N 321.399 -0.435 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1cccnc1 1351153991 VMEWOLNKICDQNI-WCQYABFASA-N 303.366 -0.840 50 20 DBGD CC[C@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)C(=O)O 1573798064 NFSDPNWRNQFABV-MRVPVSSYSA-N 300.315 -0.950 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CC1(O)CNC1 1579872227 FCSGFMRUFZTJNX-UHFFFAOYSA-N 303.322 -0.872 50 20 DBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNc1ccc(F)cn1 1608329865 IEDZMBHVVOPRBR-VIFPVBQESA-N 310.285 -0.013 50 20 DBGD CC(=O)NCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1845990491 JZHHATFZDCUNLA-JTQLQIEISA-N 305.737 -0.140 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1OC 139255862 JDRRDQKZMNNORZ-UHFFFAOYSA-N 316.339 -0.694 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)NC(=O)OC 265883708 NLMDHISIWGZCGA-UHFFFAOYSA-N 316.358 -0.427 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)NC2CCCCC2)nn1 266976284 WMXNZKSBALTYKG-UHFFFAOYSA-N 324.341 -0.272 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1(O)CCCCC1 267932885 OVIPTDDVVGXARK-UHFFFAOYSA-N 309.322 -0.148 50 20 DBGD CNC(=O)NNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 272817962 KTDMWFDWHSUIPC-UHFFFAOYSA-N 309.282 -0.407 50 20 DBGD CCC[C@@H](NC(N)=O)C(=O)NNc1cc(Cl)nc(N)n1 273272282 HNTIWWNQIYCIQA-RXMQYKEDSA-N 301.738 -0.008 50 20 DBGD CC(C)(C)C(=O)Cn1cc(C(=O)NNC(=O)[C@@H]2CCCO2)nn1 294537329 GJEHYXQQMRJTPJ-JTQLQIEISA-N 323.353 -0.167 50 20 DBGD COc1ccnc(NNC(=O)NCCCc2cnn(C)n2)n1 297248077 ICOFUVXUWHUSEK-UHFFFAOYSA-N 306.330 -0.127 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN1CCCCCCC1=O 298814633 QBEUSNAJGDAKKR-UHFFFAOYSA-N 312.370 -0.549 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H]2NC(=O)OC[C@H]2C1 493854337 SYJDQMQQZCMOHM-ZJUUUORDSA-N 312.370 -0.390 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)OC[C@@H]2C1 493941531 LNWNQAHWDNGGCV-QWRGUYRKSA-N 312.370 -0.295 50 20 DBGD CS(=O)(=O)CC1(CC(=O)Nc2cccc(B(O)O)c2)CC1 584910448 BRIBBUYEXFIBFT-UHFFFAOYSA-N 311.168 -0.480 50 20 DBGD CC(C)(C)C(=O)NCCNC(=O)c1ccc(B(O)O)c(F)c1 584956326 VPROLGUFFOHQAO-UHFFFAOYSA-N 310.134 -0.602 50 20 DBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584968100 HQRPFDJXFKORFG-CABZTGNLSA-N 308.118 -0.850 50 20 DBGD COCCO[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584977396 PTUMGTRXPYMYPT-LLVKDONJSA-N 311.118 -0.617 50 20 DBGD O=C(N[C@H]1CCCN(CCCO)C1)c1cc(B(O)O)ccc1F 584995033 HVQXSFBKDMUDPI-LBPRGKRZSA-N 324.161 -0.918 50 20 DBGD COCCCNC(=O)NNC(=S)NCC(=O)NC(C)C 727279248 LRZUVAZRWSLCFG-UHFFFAOYSA-N 305.404 -0.774 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CCNC(=O)O)cc1 739128697 IMHOZGNTEDIMIU-UHFFFAOYSA-N 306.278 -0.258 50 20 DBGD Cn1nnnc1SCC(=O)NNC(=O)c1cccc(C#N)c1 741846384 UZFDBABMNKZJPN-UHFFFAOYSA-N 317.334 -0.365 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)CCN(C)C 748622124 DCXPLDKHPXIKAF-WDEREUQCSA-N 304.391 -0.292 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CCCCO1 758040396 PFDNCFQTKYXPON-DTWKUNHWSA-N 307.372 -0.969 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1csc(S(C)(=O)=O)c1 768259852 QXVBFXYXRORHCK-UHFFFAOYSA-N 306.365 -0.317 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 781064162 VCMVGTFDAULABT-JTQLQIEISA-N 320.415 -0.261 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 799122572 SSDWGYPDHGCMPE-UHFFFAOYSA-N 320.758 -0.097 50 20 DBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 812533944 GDPVEQNMERXHRZ-IVZWLZJFSA-N 321.399 -0.578 50 20 DBGD COc1cccc([S@@](=O)CC(=O)NNC(=O)C(C)(C)O)c1 819509365 XIIJHPBAICQKIB-NRFANRHFSA-N 314.363 -0.279 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1COC(C)(C)O1 826884114 BNRRFOQKGYYJDG-GUBZILKMSA-N 301.343 -0.107 50 20 DBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCl 831304533 SJSFHOHZDQDVGV-RNFRBKRXSA-N 300.764 -0.442 50 20 DBGD O=C1C[C@@H](CNC(=O)NNC(=O)CCOc2ccccc2)CN1 840400237 VYLZZNFZWVZADC-LLVKDONJSA-N 320.349 -0.078 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(Cl)nc2)CC1 845222448 KWZPUEBRXPTNJK-UHFFFAOYSA-N 318.742 -0.683 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1CCNC1=O 857175566 XBEXYKVQJZPLNY-MRVPVSSYSA-N 314.342 -0.815 50 20 DBGD CCO[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 858173888 ITSXCXFCKISHJA-UWVGGRQHSA-N 304.368 -0.616 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CCNC1 861706064 SJGIZYUEEQHMQE-SNVBAGLBSA-N 302.338 -0.051 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2sccc2Cl)N1 863413742 YJOVSDNGFRKHBI-ZCFIWIBFSA-N 323.783 -0.010 50 20 DBGD COCCOCC(=O)NNC(=O)CN1CCc2ccccc21 869908964 DAKDYLFZXRQLLK-UHFFFAOYSA-N 307.350 -0.141 50 20 DBGD C[C@]1(C(=O)NCCN2C(=O)CNC2=O)C[C@H]1Br 906685641 LXGRZVOEYMRFRB-LDWIPMOCSA-N 304.144 -0.172 50 20 DBGD Cc1ccc(NCC(=O)NNC(=S)NCC(=O)N(C)C)cc1 918717181 MOUHCXNYVLQRCX-UHFFFAOYSA-N 323.422 -0.010 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC(C)C)nc1 1252437998 HSSDBTZBUWKMOP-UHFFFAOYSA-N 310.310 -0.128 50 20 DBGD CNC(=O)CN1CCC(NC(=O)NNc2cccnn2)CC1 1328881683 UREDEAHWYZDIHT-UHFFFAOYSA-N 307.358 -0.687 50 20 DBGD C[C@]1(CNC(=O)C(=O)N[C@H]2CCNC2)C[C@H]1Br 1334720104 BNLGIVUZHSGVRK-VAOFZXAKSA-N 304.188 -0.246 50 20 DBGD Cc1cn2c(=O)c(C(=O)N3CC[C@H](B(O)O)C3)cnc2s1 1348490784 UTEPDNADAHHCTL-QMMMGPOBSA-N 307.140 -0.247 50 20 DBGD COC1(c2nccn2C)CN(C(=O)c2ccc(B(O)O)cc2)C1 1520480186 FYMQCKDRVHGPSL-UHFFFAOYSA-N 315.138 -0.902 50 20 DBGD CO[C@H](C(=O)NNC(=O)NC1CCNCC1)[C@H]1CCOC1 1578890764 ANCNPAKGGDIFEG-ONGXEEELSA-N 300.359 -0.880 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2CN)c1O 1579260215 UPXKLYFILSNOGX-KWQFWETISA-N 309.322 -0.474 50 20 DBGD Cn1c(C(=O)NNc2ncc(F)cn2)ccc1-c1nn[nH]n1 1592549700 MKYBGOLZHCVRJY-UHFFFAOYSA-N 303.261 -0.109 50 20 DBGD O=C(CCCCO)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1592835976 SOQCNZRDBHSAQB-UHFFFAOYSA-N 304.310 -0.210 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)c1cnc(C(=O)O)cn1 1594736554 QBRMZYRSTVEEOB-UHFFFAOYSA-N 307.188 -0.319 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccsc1CC(=O)O 1599248409 XIZLSRYGMNSZML-UHFFFAOYSA-N 316.335 -0.201 50 20 DBGD Cc1nc2ccccc2n1CCNC(=O)NNC(=O)C(=O)O 1600730504 PEXRXZFYUCNAKN-UHFFFAOYSA-N 305.294 -0.240 50 20 DBGD O=C(NCc1cccnc1N1CCCC1)NNC(=O)C(=O)O 1601544036 OAIPCYVYHCKQNX-UHFFFAOYSA-N 307.310 -0.403 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1C(=O)O 1605192750 SXICWOPUVSSWMW-UHFFFAOYSA-N 309.278 -0.838 50 20 DBGD CCC(=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353518 ASASPWMPQIWPAQ-JTQLQIEISA-N 302.758 -0.231 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)CNC(=O)c1cccs1)C1CC1 286293497 XXCPJTNNXTXFCY-ZDUSSCGKSA-N 311.363 -0.214 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNc2ncncc2F)C1=O 293986804 LGQCZIQVXJXLQR-CYBMUJFWSA-N 322.300 -0.221 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CC1=O 298304640 PZZDHQHRWFEFRP-VIFPVBQESA-N 309.297 -0.170 50 20 DBGD COc1ncc(/C=C/C(=O)NNC(=O)Cc2cc[nH]n2)cn1 492735601 LFDCTIWPMPVYEH-NSCUHMNNSA-N 302.294 -0.388 50 20 DBGD COC(=O)NNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C 496756751 UDCQXNZWEZHCDC-SNVBAGLBSA-N 311.342 -0.130 50 20 DBGD COc1c(CNC(=O)c2ccc(B(O)O)cc2)c(C)nn1C 584933760 KHZKZFCRXWCVSK-UHFFFAOYSA-N 303.127 -0.653 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CN1C1CC1 584958068 OVLSNQJAEDEWQP-MWLCHTKSSA-N 306.146 -0.140 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@H]1c1ncon1 584968814 OFBGQQYJTJCWAU-NSHDSACASA-N 321.073 -0.898 50 20 DBGD CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cccc(B(O)O)c4)[C@@H]1[C@H]3C2 584988390 MOSPKEDWNKLVKL-WPTOEGHWSA-N 301.151 -0.138 50 20 DBGD CCCN1C[C@@H](CNC(=O)c2cccc(B(O)O)c2)CC1=O 584999738 IBXHQFLJXWHOLT-LLVKDONJSA-N 304.155 -0.645 50 20 DBGD CC(=O)N1CCOC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1 585052215 UXDUATJMNXFAOL-GFCCVEGCSA-N 317.110 -0.664 50 20 DBGD O=C(Cc1ccc(I)cc1)NCB(O)O 585062626 KXCYTAPPLZFPAO-UHFFFAOYSA-N 318.907 -0.038 50 20 DBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)C(=O)NC(C)C 738923206 RLJORZVZYIXVSY-UHFFFAOYSA-N 323.353 -0.051 50 20 DBGD Cc1nc(COc2cccc(C(=O)NNC(=O)CO)c2)no1 753439467 OKNYXNNZHLVLOH-UHFFFAOYSA-N 306.278 -0.290 50 20 DBGD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)CO 756885074 ZXNBQFQSPSFOAS-UHFFFAOYSA-N 324.337 -0.068 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NN=c1cc[nH]cc1Cl 757406375 PMBKZRAOZCRNSG-UHFFFAOYSA-N 319.712 -0.315 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 764421595 OUECTMKLSMCLBU-UHFFFAOYSA-N 321.268 -0.910 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)C(C)(C)O)C1=O 768245420 ASLQDTLUUBRTDI-UHFFFAOYSA-N 314.342 -0.985 50 20 DBGD COc1ccc(C(=O)NNC(=S)NCCSC)nn1 769767508 NONMJVCJMSRQDI-UHFFFAOYSA-N 301.397 -0.043 50 20 DBGD COc1cc(C=NNC(=O)CO)cc(Cl)c1OCC(N)=O 776780232 GSBKHRMWKYIUFN-UHFFFAOYSA-N 315.713 -0.345 50 20 DBGD NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1cnccn1 784065154 HZIYMTSSKUPALL-NSHDSACASA-N 303.297 -0.053 50 20 DBGD CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2O1 785990375 FOKNVWDVBXZWFY-AWEZNQCLSA-N 323.305 -0.338 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(O)ccc1[N+](=O)[O-] 794622008 UUDKOQUDUMMLRU-UHFFFAOYSA-N 310.266 -0.414 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2cccnc12 798153669 ZBWMVGAYWWTXPL-MRVPVSSYSA-N 322.346 -0.241 50 20 DBGD C[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N1CCN(C)CC1 802028431 WXWDFZIKEYCSLM-LLVKDONJSA-N 306.370 -0.708 50 20 DBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 807381279 MJPJBMGHQGMMNC-LLVKDONJSA-N 311.386 -0.767 50 20 DBGD COCCOCC(=O)NNC(=O)c1cc([N+](=O)[O-])cn1C 812218544 PAYPZRGFXNPJIF-UHFFFAOYSA-N 300.271 -0.643 50 20 DBGD CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](O)C(N)=O)cc1 819525620 LOHRJZAAGWOBMD-LWMSPQMPSA-N 303.318 -0.045 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCNC2=O)c(OC)c1 826646777 KIYGRPBXLVPWQT-JTQLQIEISA-N 307.306 -0.399 50 20 DBGD O=C(NCc1ccc(C(=O)O)o1)NNC(=O)[C@H]1COCCO1 833144617 JMNWZOMKCNJKQN-SECBINFHSA-N 313.266 -0.776 50 20 DBGD C[C@@H]1[C@H](O)CCN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 839617884 SPXUMHOEKGKIJF-BXKDBHETSA-N 322.321 -0.189 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cncc(F)c1 842591184 AXRZMSVOMNVMQC-XCBNKYQSSA-N 303.315 -0.045 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 843970131 BLHVWZSUHNKCOP-DJLDLDEBSA-N 300.359 -0.358 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)NC[C@@H]1COCCN1 861681151 GEQMCJYGVRUDID-CYBMUJFWSA-N 306.366 -0.062 50 20 DBGD CC[S@@](=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450269 PSJBRHHDGYTYOL-ZQJOYCHOSA-N 323.374 -0.146 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1cn[nH]c1 862471298 ZFGBDTCLYHMZDJ-SSDOTTSWSA-N 319.243 -0.276 50 20 DBGD O=C(NC[C@H]1COC2(CCOCC2)O1)c1ccc(B(O)O)cc1 863877793 FTHBAYVUUANTLC-ZDUSSCGKSA-N 321.138 -0.982 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 920458761 YVJDOPGCGJODND-ZETCQYMHSA-N 311.260 -0.419 50 20 DBGD O=C(NNC(=O)[C@@H](F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1117668327 BEGFADXQFYSMEG-RFZPGFLSSA-N 306.237 -0.531 50 20 DBGD C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)C(=O)N1CCCC1 1318902143 RNRRJUHQZZBGRI-SNVBAGLBSA-N 314.386 -0.264 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 1318972356 CGEGLQYISPAIMW-UHFFFAOYSA-N 304.303 -0.094 50 20 DBGD CS(=O)(=O)CCCC(=O)NNc1ccc(-n2ccnc2)nn1 1320980798 FZDLXRNDLHFYHK-UHFFFAOYSA-N 324.366 -0.070 50 20 DBGD CCn1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cn1 1323840742 PNDUGSZIZMROHX-GFCCVEGCSA-N 315.399 -0.216 50 20 DBGD COC(=O)CC1CC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1325869524 WXLMJHDDHKKTIA-YGPZHTELSA-N 302.352 -0.134 50 20 DBGD CC(C)N1CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC1 1331834183 OXXOFCCCKWFCGQ-UHFFFAOYSA-N 305.400 -0.701 50 20 DBGD CCOC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCCC1 1331932438 ORZJTEQQKOKFNK-UHFFFAOYSA-N 305.139 -0.028 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 1337960655 JEQVFPJMJVJPLO-UHFFFAOYSA-N 319.321 -0.627 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)nn1 1339793499 LAUJQMNICIYQSE-ZCFIWIBFSA-N 318.742 -0.674 50 20 DBGD CN(C)N(C(=O)c1cc2ncccn2n1)[C@H]1CCS(=O)(=O)C1 1345670368 UCKSKTXXHJFPCX-JTQLQIEISA-N 323.378 -0.165 50 20 DBGD Cc1noc(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1349151792 CBWXPUAZJPERSM-CBAPKCEASA-N 310.310 -0.198 50 20 DBGD COC[C@H](N)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1579087046 VOVSYHDPYJPHMM-JTQLQIEISA-N 303.322 -0.189 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C(=O)O1 1590199437 KHUFRNCUYQTUDR-SVRRBLITSA-N 318.297 -0.408 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)CNc1ccccc1 1594569686 ZPDOGCBDGIPMBP-UHFFFAOYSA-N 317.305 -0.009 50 20 DBGD COC(=O)N(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1604949695 HYIROBCGRRADFA-UHFFFAOYSA-N 306.286 -0.597 50 20 DBGD O=C(NCc1cnn(CC(F)(F)F)c1)NNC(=O)C(=O)O 1608474001 YRJXMZPLIXIYGK-UHFFFAOYSA-N 309.204 -0.640 50 20 DBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 1610795041 CVPZJWQHJOPNMZ-UHFFFAOYSA-N 318.293 -0.173 50 20 DBGD N#Cc1ccc(C(=O)O)c(C=NNC(=O)C(=O)NC2CC2)c1 1776027366 YCTYIAKIDCJWGS-UHFFFAOYSA-N 300.274 -0.015 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(=O)O)cn1C 1776042015 CIVKEPDRRSOHMJ-SSDOTTSWSA-N 316.339 -0.889 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(=O)O)cn1C 1776042016 CIVKEPDRRSOHMJ-ZETCQYMHSA-N 316.339 -0.889 50 20 DBGD CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1800067760 PMZBNDUFUFXQFX-JXUBOQSCSA-N 304.774 -0.047 50 20 DBGD COc1cc(C)nc(NNC(=O)NCCS(C)(=O)=O)n1 266976884 QXECKLJNWMZCRE-UHFFFAOYSA-N 303.344 -0.536 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NN(C)CCOC)ccc1F 288390695 JSVVEANDWWRLST-UHFFFAOYSA-N 319.358 -0.043 50 20 DBGD NC(=O)c1ccc(OCCC(=O)NNC(=O)[C@@H]2CCCO2)cc1 292126478 KTXZKVHWICXVAC-LBPRGKRZSA-N 321.333 -0.119 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNc2ncncc2F)nn1 293462724 VUVRMIWWWMTELR-UHFFFAOYSA-N 324.276 -0.680 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@@H](c2cncn2C)N(C)C)O1 293999159 UXRCCVWLUTWFBD-ZMLRMANQSA-N 309.370 -0.262 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 298814021 QTTMXIGCCKIQTI-AWEZNQCLSA-N 310.354 -0.100 50 20 DBGD O=C(Cc1ccc2c(c1)OCO2)NNC(=O)C(=O)NC1CC1 299046277 SHWDEDJJEJWYKR-UHFFFAOYSA-N 305.290 -0.616 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCC(=O)NCC#N)cc(C#N)n1C 490940955 JVSCRUPQZGXERT-XGICHPGQSA-N 310.317 -0.132 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494743271 XRPAYBKDKIMMCH-UHFFFAOYSA-N 318.330 -0.595 50 20 DBGD COC(=O)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 495368116 XKUKKZXSIQDTNP-SNVBAGLBSA-N 305.290 -0.107 50 20 DBGD O=C(NC[C@@H](CO)Cc1ccncc1)c1ccc(B(O)O)cc1 584984720 BHIBEFQGOOJHKL-ZDUSSCGKSA-N 314.150 -0.658 50 20 DBGD O=C1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C2(CCC2)N1 584987972 ZRGYNPWDPUDYEF-LBPRGKRZSA-N 320.129 -0.563 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H](C)N1CCO 584997300 CWPLNLSUBXOCHV-PHIMTYICSA-N 324.161 -0.967 50 20 DBGD OB(O)c1ccc(CNC[C@@H](O)CN2CCCCC2)c(F)c1 585018773 RUSFVGCIYDITDK-CQSZACIVSA-N 310.178 -0.558 50 20 DBGD NC(=O)c1ccc(OCCC(=O)N2CC[C@H](B(O)O)C2)cc1 585065947 KJMGFWGWJVQQQA-NSHDSACASA-N 306.127 -0.370 50 20 DBGD COCCOc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 732051924 CMQIHJSNOKYYMU-UHFFFAOYSA-N 321.333 -0.249 50 20 DBGD O=C(O)CCCN1CCC(=NNC(=O)C(=O)NC2CC2)CC1 739672455 HXMMBFYTDSXDPG-UHFFFAOYSA-N 310.354 -0.302 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 747407878 XRIZDAHUGSWPBC-UHFFFAOYSA-N 310.339 -0.372 50 20 DBGD Cc1cc(S(N)(=O)=O)cc(NC(=O)NNC(=O)CO)c1C 756636982 YKAKGGAVMFJNRT-UHFFFAOYSA-N 316.339 -0.904 50 20 DBGD COc1nccnc1NNC(=O)CCC[C@@]1(C)NC(=O)NC1=O 764469890 RMJALSGVPMUIAL-CYBMUJFWSA-N 322.325 -0.303 50 20 DBGD CCOc1cnc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)cn1 778536778 QKMZVTAYGFXIGK-QMMMGPOBSA-N 310.310 -0.022 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCC(F)(F)C1 795080571 LEMKDZBHLFUKLB-RNFRBKRXSA-N 313.326 -0.493 50 20 DBGD Cn1cc(C(=O)NNc2cccc(Cl)n2)c(=O)n(C)c1=O 817005066 CLWPNNDNMVSFCO-UHFFFAOYSA-N 309.713 -0.111 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 822547943 SQWSLDMQCUILQC-JTQLQIEISA-N 310.383 -0.311 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCN2C=O)cc1 854259987 FFACFVXEEXPYIL-GFCCVEGCSA-N 318.333 -0.298 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@H]1CCC(=O)N1C 854285345 BHUYPAGEQBKNLH-SNVBAGLBSA-N 316.427 -0.129 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc(Br)cnc1O 857110546 XFMYDQWQHOJOHA-UHFFFAOYSA-N 317.143 -0.128 50 20 DBGD C[C@@H](NNC(=O)CN1CCS(=O)(=O)CC1)C(F)(F)F 862309808 PGKFXWWNVJHLIU-SSDOTTSWSA-N 303.306 -0.712 50 20 DBGD O=C(COc1ccc2c(c1)CCC2)NNC(=O)[C@H]1CCC(=O)N1 862449336 NMEJANDTOCRLTL-CYBMUJFWSA-N 317.345 -0.020 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn[nH]c1 862472795 SLTWSUZYOYDDNW-MRVPVSSYSA-N 317.371 -0.865 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c(C)o1 864231002 ILDNJPGVUPSDAZ-QMMMGPOBSA-N 317.128 -0.388 50 20 DBGD C[C@H](O)CN(C)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 910179843 FUSMDVSVLCSXJP-SXTJYALSSA-N 307.350 -0.863 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 913496624 HBGOHZOZXQQHHA-SNVBAGLBSA-N 301.306 -0.538 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 916148253 PGNSRLIPQSGNIE-SNVBAGLBSA-N 315.333 -0.070 50 20 DBGD CCNC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 920858503 XCKZCSPXXNYVHN-SNVBAGLBSA-N 305.338 -0.220 50 20 DBGD Cc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)cnn1C 1116286363 RCPMCZATSXOFFN-UHFFFAOYSA-N 316.321 -0.685 50 20 DBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CCNC(=O)C1 1116837362 DVCIIPQDVHVVJF-MRVPVSSYSA-N 312.351 -0.697 50 20 DBGD CS(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 1317702580 LKZRPHBCYTZZFZ-UHFFFAOYSA-N 306.369 -0.826 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)c1ccc(OC)cc1 1318025837 NUEBYISOULKXPX-UHFFFAOYSA-N 300.336 -0.109 50 20 DBGD Cn1ccnc(NNC(=O)c2cncc(-n3ccnn3)c2)c1=O 1322757235 PWWOZYRFRBKXJL-UHFFFAOYSA-N 312.293 -0.487 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CO[C@@H]2CCOC2)cc1 1323527546 VEYMPEDZJDOHCL-CYBMUJFWSA-N 319.317 -0.110 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cn(C2CC2)nn1 1328868452 AEQMKYUZSMBZLV-UHFFFAOYSA-N 308.342 -0.321 50 20 DBGD CNC(=O)NNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1341588170 UQUJMSNEOAMBMU-UHFFFAOYSA-N 302.312 -0.663 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@]1(C)C[C@@H]1Br 1351153093 NLVIMAVEUQOZCM-SSDLBLMSSA-N 308.132 -0.337 50 20 DBGD CN1CCC(CNC(=S)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1351650290 HIVBFENWQIQALC-JTQLQIEISA-N 313.427 -0.898 50 20 DBGD C[C@@]1(CNC(=O)C(=O)NCC2(N)CC2)C[C@H]1Br 1356460207 AILWFHWYIVKTAO-XCBNKYQSSA-N 304.188 -0.116 50 20 DBGD Cn1nnc2c(C(=O)NNC(=O)[C@@H]3CCCNC3)ccnc21 1580017017 IFAIDSQHURCNRT-MRVPVSSYSA-N 303.326 -0.876 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NCCC(=O)NCCC(=O)O 1590233476 UFNNHCPCZJLJLQ-UHFFFAOYSA-N 318.330 -0.294 50 20 DBGD COCCOCC(=O)NNC(=O)/C=C\c1ccc(C(=O)O)o1 1594017832 GGEXMXNVKKOASX-HYXAFXHYSA-N 312.278 -0.199 50 20 DBGD O=C(O)c1ccc(CNC(=O)c2ccc(B(O)O)cc2)nc1 1608884511 YECGXVSYGUOJJX-UHFFFAOYSA-N 300.079 -0.610 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ccncn2)C1 1843469313 QNPJMCKCNKVBBC-NSHDSACASA-N 324.768 -0.107 50 20 DBGD O=C1NC[C@@H]2CN(CCI)CCN2C1=O 190942534 LLICOZUMQFZQAK-SSDOTTSWSA-N 323.134 -0.936 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCOCC1CC1 264435398 AUZSVWLJEGPBEW-UHFFFAOYSA-N 324.337 -0.234 50 20 DBGD CC[C@@H](NC(=O)NNc1cccnn1)C(=O)N1CCOCC1 267796786 PADBHYILDDYXDU-SNVBAGLBSA-N 308.342 -0.260 50 20 DBGD CC(C)CC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298817940 YRYJDNSUDUTSGV-TXFQPVFDSA-N 319.361 -0.013 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)c1cn([C@@H]2CCOC2)nn1 584914189 RNONLBVRBKGPKY-LLVKDONJSA-N 302.099 -0.828 50 20 DBGD CN(C)C(=O)CC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584972176 PDJNZCJZYKMVCG-UHFFFAOYSA-N 318.182 -0.303 50 20 DBGD CN(C)C(=O)Cn1cc(NCc2cccc(B(O)O)c2)cn1 585034548 QVRWZCLOJAPFDJ-UHFFFAOYSA-N 302.143 -0.737 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCc2c1cnn2C 728433818 GCATXMNVWWHHNV-MRVPVSSYSA-N 313.383 -0.486 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC1 729258333 ONDIKNQRFONDNV-NSHDSACASA-N 319.317 -0.371 50 20 DBGD COc1cccc(C(=O)NNC(=O)c2nnn(C)c2C)c1O 743316486 BXQCXWNDHACLKV-UHFFFAOYSA-N 305.294 -0.087 50 20 DBGD CNC(=O)NNC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12 746593090 ANVPHBLJHTVYJI-SSDOTTSWSA-N 304.310 -0.359 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)Cc1cc[nH]n1 755279895 UNGNMTIMUOWBHB-UHFFFAOYSA-N 300.340 -0.604 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)c(F)c1 755697137 CVGAOXMWQPCZSP-SSDOTTSWSA-N 303.315 -0.081 50 20 DBGD C[C@H]1C[C@@H]1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 758372727 AGQNZDLKAWIGCH-JGVFFNPUSA-N 311.367 -0.671 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(F)c(O)c(F)c1 762555832 QECJWPHYQJFBCK-UHFFFAOYSA-N 301.249 -0.044 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCS1(=O)=O 772413765 ZARBLYBFNAPWPU-IUCAKERBSA-N 320.367 -0.557 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)SCCO1 798152979 HJXMJVSZOMLWTB-QMMMGPOBSA-N 320.392 -0.437 50 20 DBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(N)=O)cc1 804029970 KZVJMWLTVHHERH-UHFFFAOYSA-N 300.340 -0.685 50 20 DBGD COc1cc(C(C)=NNC(=O)[C@H]2CCS(=O)(=O)C2)on1 814781390 HYVNBRGUWQNPLM-QMMMGPOBSA-N 301.324 -0.042 50 20 DBGD CSCCNC(=S)NNC(=O)/C=C1/SCC(=O)N1C 821491500 ASWLIUQRBKTEAQ-WEVVVXLNSA-N 320.465 -0.109 50 20 DBGD NS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCCC2)C1 821754783 RAVZVKICCJTVBV-JTQLQIEISA-N 318.399 -0.761 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C2/SCC(=O)N2C)CC1 822764619 KPELWDMVGQLDIY-YRNVUSSQSA-N 313.383 -0.979 50 20 DBGD C[C@@H]1NC(C(=O)NN(C)[C@@H](C)CO)=NN(c2ccccc2)C1=O 823977307 UDDTZWZPVRZNBW-QWRGUYRKSA-N 319.365 -0.331 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc1ccncc1 829561904 SIJNJKMXMNYTNX-VIFPVBQESA-N 314.367 -0.901 50 20 DBGD CCc1[nH]c(C(=O)NNC(=O)C(=O)NC(C)C)c(C)c1C(=O)O 830196472 KSGKHCOUXUHTAE-UHFFFAOYSA-N 324.337 -0.131 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CC(=O)N(C2CC2)C1 836348116 BEHUQZXITJCVMH-KOLCDFICSA-N 310.354 -0.351 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1C 843658192 FXMXIHBCSZJDDV-IUCAKERBSA-N 309.322 -0.002 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ccc(C#N)cc1 845855069 SQVRJDNSQQPDPH-UHFFFAOYSA-N 311.367 -0.260 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1 847293629 IWKYUJLFLGNTQI-WDEREUQCSA-N 318.333 -0.408 50 20 DBGD CN1CCN(CC(=O)NNc2nc3ccccc3n2C)CC1=O 848380805 SKECTJSIUHCETM-UHFFFAOYSA-N 316.365 -0.210 50 20 DBGD CN(C)CC[C@H](N)C(=O)NNc1ncc(Br)cn1 848436193 IZKWTXJPENOULW-QMMMGPOBSA-N 317.191 -0.039 50 20 DBGD CCC[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)S(N)(=O)=O 854683025 JXWSJPMGOUECEO-DTWKUNHWSA-N 307.372 -0.840 50 20 DBGD CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450806 BJKSHUYZTDJOSU-UWVGGRQHSA-N 324.381 -0.551 50 20 DBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cn[nH]c2)C1 863414412 VOJHOYOJSBKRPO-DTORHVGOSA-N 301.372 -0.133 50 20 DBGD Cc1cc(C(=O)NNC(=O)CN(C)C)n(C2CCOCC2)n1 863865791 ZUMJIKKHEFVSHD-UHFFFAOYSA-N 309.370 -0.134 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNc1nccc(N2CCOCC2)n1 863896688 COTUMVPMIBVUDD-LBPRGKRZSA-N 322.369 -0.473 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)COCCOC)C1 869909506 YNSPECFNGPRLKM-LLVKDONJSA-N 315.370 -0.555 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CSCCS2)N1 875360657 KEKWWZPAVKRKBD-JGVFFNPUSA-N 318.424 -0.556 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)c2cn(C)c(=O)n2C)c1 899977471 PPPAXLKETIYYSB-UHFFFAOYSA-N 317.349 -0.135 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCc3n[nH]cc3C2)cn1 1116294428 YGPMYZAXYIKUDS-SNVBAGLBSA-N 303.326 -0.355 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N[C@@H](CO)C1CCOCC1 1116894475 KNKXMDWRKPWAIW-ZDUSSCGKSA-N 322.365 -0.258 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1COc2cc(F)cc(F)c21 1254636380 IXCUDJGFGNENES-ZETCQYMHSA-N 315.232 -0.098 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNc1ccc(C(N)=O)nn1 1319074710 CLJZYXIKBXQTLM-UHFFFAOYSA-N 322.350 -0.359 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 1320234909 MBZSXKMFERKRSX-UHFFFAOYSA-N 318.333 -0.286 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)nc1 1324363846 FJWISNAFBQQRPF-UHFFFAOYSA-N 320.305 -0.702 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1324392216 BQMCEKYLSHZLAD-VIFPVBQESA-N 314.367 -0.306 50 20 DBGD O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@@H](B(O)O)C1 1335432251 MCDNINOZFFEQNU-LLVKDONJSA-N 301.115 -0.720 50 20 DBGD Cc1noc2ncc(C(=O)NNC(=O)CS(C)(=O)=O)cc12 1348421415 KOCJAEYMZYPTEP-UHFFFAOYSA-N 312.307 -0.663 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(C)c2)c(O)c1 1348834827 VVSIPFUKKVRUNO-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)N1 1351354468 XXVVMJYZXYRZGP-HBNTYKKESA-N 310.354 -0.636 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)CCOCCN)c1 1579750207 IHKUIJWJZODGTF-UHFFFAOYSA-N 308.382 -0.337 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1c[nH]nc1[C@H]1CCNC1 1579974844 UIQZPGZLLCOWFL-VIFPVBQESA-N 302.338 -0.100 50 20 DBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)NC1CCNCC1 1579985500 DZAJLOXKKLNIDX-GHMZBOCLSA-N 306.370 -0.394 50 20 DBGD Cc1c(C(=O)NNC(=O)CN(C)C)cccc1-c1nn[nH]n1 1591809047 BVXLYVDYMKDVNA-UHFFFAOYSA-N 303.326 -0.502 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H](OC)C(=O)O)c(OC)c1 1594078502 DKHGISLHBQTDHR-JTQLQIEISA-N 312.278 -0.436 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccn(CC(=O)O)n2)cn1 1600932686 QPCAPJPTKNRKHP-UHFFFAOYSA-N 307.270 -0.832 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1csc(C(=O)O)n1 1601312085 CZIMFOIQUWQXDL-UHFFFAOYSA-N 312.307 -0.775 50 20 DBGD O=C(NC[C@H]1COC2(CCCCC2)O1)NNC(=O)C(=O)O 1610690089 JYRMBHPIMALERD-QMMMGPOBSA-N 301.299 -0.523 50 20 DBGD CCOc1ccc(S(=O)(=O)NNC(=O)NC)cc1C(=O)O 263896320 ALPWHIQXZDSBIX-UHFFFAOYSA-N 317.323 -0.094 50 20 DBGD NC(=O)[C@@H]1CCCN1CCCNC(=O)NNc1cccnn1 265497133 YDPVIXAYBCFJLD-JTQLQIEISA-N 307.358 -0.558 50 20 DBGD COCCO[C@@H](C)C(=O)NN[C@H](Cc1ccccc1)C(N)=O 273497724 XYQZPRYWNCDOSF-WCQYABFASA-N 309.366 -0.245 50 20 DBGD COCCCONC(=O)NNC(=O)CNC(=O)c1ccco1 288044973 OSGZYSJYEYSEOG-UHFFFAOYSA-N 314.298 -0.692 50 20 DBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)CNC(=O)c1ccco1 288077371 RKOJERWKRXPZCX-VIFPVBQESA-N 311.342 -0.710 50 20 DBGD COCCc1cc(NC(=O)c2ccc(B(O)O)c(F)c2)n(C)n1 584963579 VISSKNFABQCQKC-UHFFFAOYSA-N 321.117 -0.320 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@H](COCC2CC2)C1 584977248 OLAGAVRZTAFZFY-OAHLLOKOSA-N 319.166 -0.366 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@H]2C1 585010565 UZKCZWFBXOOYKQ-FIQHERPVSA-N 305.114 -0.530 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2ccc[nH]2)C1=O 747664035 WSFGZIFLOYXXCC-UHFFFAOYSA-N 321.337 -0.114 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c([N+](=O)[O-])cnn1C 772236465 QKGLVWJYXFUANK-ZCFIWIBFSA-N 313.270 -0.569 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)N(C)C)N1CCCS1(=O)=O 772691330 JXKVITZRCTXLAL-SECBINFHSA-N 306.388 -0.651 50 20 DBGD COc1cc(SC)ccc1NC(=O)C(=O)NNC(=O)CO 773556202 XIIOCTCZZGVRGN-UHFFFAOYSA-N 313.335 -0.505 50 20 DBGD O=S(=O)(CBr)NCCN1CCCOCC1 782508041 YJWALVOTGDFVHK-UHFFFAOYSA-N 301.206 -0.020 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(=O)N1CCC(C)CC1 805568651 WKDFNQIZTQMNMA-SNVBAGLBSA-N 313.354 -0.266 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnc2n1CCC2 825267058 PVAZUKCACXJIIE-UHFFFAOYSA-N 317.305 -0.387 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCS(=O)(=O)C2)n[nH]1 845903860 UKBXTSFAICFERN-QMMMGPOBSA-N 300.340 -0.696 50 20 DBGD CN1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1=O 846711683 CPHKXRTWFIYPHF-UHFFFAOYSA-N 320.349 -0.282 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2ccccc2F)N1 858089199 JXSYOWACZXILIP-NSHDSACASA-N 308.313 -0.023 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452110 JKJLCSDNFIHHCQ-SCZZXKLOSA-N 310.354 -0.893 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCCC1 862452154 JQMJEXUHTCMHDK-AAEUAGOBSA-N 310.398 -0.077 50 20 DBGD Cc1cc(=NNC(=O)CSCC(=O)N2CCOCC2)cc[nH]1 862508616 UHHCPLLUPYEMMI-UHFFFAOYSA-N 324.406 -0.153 50 20 DBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)CC1(C)OCCO1 863874283 UBGYZXRKNCNPKP-LLVKDONJSA-N 307.155 -0.115 50 20 DBGD O=C1N[C@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)C[C@@H]2CO1 863881271 OVRNRRWWTOAJBO-PELKAZGASA-N 322.101 -0.924 50 20 DBGD CCOC(=O)[C@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 874249011 NBIDPAHRVOLCPS-JTQLQIEISA-N 301.343 -0.105 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NN(C)C[C@H](C)O)C1 910182082 HPOIZCXMMGYJRU-NWDGAFQWSA-N 301.387 -0.395 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c[nH]c2ncccc12 1115884272 MVUUZGZCYVNOSU-QMMMGPOBSA-N 322.346 -0.241 50 20 DBGD CC(=O)NCCCNC(=O)NNc1nncc(N)c1Cl 1116294688 PFJBZXLDBUCQOL-UHFFFAOYSA-N 301.738 -0.136 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCc2ccccc2OC1 1256705609 KYHUIZISIASWOR-SNVBAGLBSA-N 307.306 -0.116 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1261742483 WFBWOZHQYHRSDZ-JTQLQIEISA-N 301.310 -0.274 50 20 DBGD CN(NC(=O)OCc1ccccc1)C(=O)CN1C(=O)CNC1=O 1261829433 PZHCLSOSYLSJKJ-UHFFFAOYSA-N 320.305 -0.162 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnc(Cl)cn1 1321100144 FSCLUGKMXKLQCF-ZCFIWIBFSA-N 318.742 -0.674 50 20 DBGD CN(CC(=O)NNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1321731037 VSLOCWXUAPBRME-SNVBAGLBSA-N 303.384 -0.947 50 20 DBGD CC(C)NC(=S)NNC(=O)CCc1nc(N(C)C)no1 1324262511 QLZOZWYHWQRAGR-UHFFFAOYSA-N 300.388 -0.028 50 20 DBGD COc1cncc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)n1 1324544137 LSOJOTVEEZMHSM-VIFPVBQESA-N 314.367 -0.409 50 20 DBGD Cc1nc(Cn2nnc(C(=O)NNC(=O)CC3CC3)c2C)no1 1326395619 XNVXFQCKLFLTQQ-UHFFFAOYSA-N 319.325 -0.113 50 20 DBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)CN2CCCC2=O)C1 1332227794 GAAYKTVJQLHZRA-CQSZACIVSA-N 310.354 -0.985 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCc2nnnn2CC1 1346184340 XRZHTBIZNYTATB-LLVKDONJSA-N 315.337 -0.589 50 20 DBGD CS(=O)(=O)SCCNC(=O)C1CC2(CNC[C@H]2C#N)C1 1579348460 CSUHFAGZYTUIQE-SQLBVSGCSA-N 317.436 -0.065 50 20 DBGD Cc1cc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)nc(N)n1 1592054203 WYDOKUFRFICVBY-UHFFFAOYSA-N 312.297 -0.301 50 20 DBGD O=C(CO)NNC(=O)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 1592879072 UYXFSVUPFHYQSQ-UHFFFAOYSA-N 320.284 -0.823 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@]1(O)CCSC1 1593165237 YFGGRWOHPFNKFJ-LLVKDONJSA-N 307.339 -0.427 50 20 DBGD O=C(NCCOc1ccc2c(c1)CCC2)NNC(=O)C(=O)O 1610695191 XSHVBSXCNLIRCX-UHFFFAOYSA-N 307.306 -0.031 50 20 DBGD CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795183754 OLKAFCIAGIBJEW-RBLKWDMZSA-N 321.780 -0.328 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)c1ccoc1C 109859236 ARWRKTBZVDNUMA-UHFFFAOYSA-N 305.294 -0.189 50 20 DBGD COc1cc(C(=O)NNC(=O)NC2CC2)ccc1OCC(N)=O 138643497 GZFGLBKWSLYJGL-UHFFFAOYSA-N 322.321 -0.334 50 20 DBGD NC(=O)N1CCC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 147170893 BKGSRDUQVCHXKI-SECBINFHSA-N 317.371 -0.997 50 20 DBGD COC(=O)N[C@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 264474927 OOSGOLISMSVSFE-VIFPVBQESA-N 302.331 -0.560 50 20 DBGD COc1ccnc(NNC(=O)NC[C@@H]2CN(C)CCN2C)n1 264777541 OVSTWKYCELJEAZ-SNVBAGLBSA-N 309.374 -0.643 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 267401152 XLWHIBGWVIZAJB-VIFPVBQESA-N 313.339 -0.981 50 20 DBGD O=C(CN1CCOC[C@H]1C(=O)O)NNC(=O)c1ccccc1 388142166 PPDHNGFTVAYIER-NSHDSACASA-N 307.306 -0.767 50 20 DBGD C=CCN1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 584940938 BTDDBLSMBFQZDE-UHFFFAOYSA-N 306.146 -0.114 50 20 DBGD CC(C)C(=O)NCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584969206 KFCUVLAFOYKQTF-UHFFFAOYSA-N 310.134 -0.650 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1 730090900 QSBQKQGVTDBOKV-UHFFFAOYSA-N 322.346 -0.183 50 20 DBGD Cc1cc(CN2CCN(CC(=O)NNC(=O)C3CC3)CC2)on1 733193552 VVESVACTELQGFR-UHFFFAOYSA-N 321.381 -0.342 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)COC[C@H]1CCCO1 740852539 BEJDJZWVJGYRDT-LLVKDONJSA-N 315.370 -0.366 50 20 DBGD O=C(NNC(=O)[C@H]1Cc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 742055161 KWVDLJFDGOXNSW-PWSUYJOCSA-N 323.374 -0.156 50 20 DBGD COC(=O)[C@H]1COCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C 752311930 UPRVTQXAILBGQZ-WDEREUQCSA-N 315.370 -0.558 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(OC(F)F)n(C)n2)cn1 767090740 CXQCCBHKJVQXQE-UHFFFAOYSA-N 314.252 -0.170 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1c(C)nn(COC)c1C 788667842 WYWHSCAEODYHKL-UHFFFAOYSA-N 319.387 -0.042 50 20 DBGD CN(C)CCN1C(=O)C(=NNC(=O)CN(C)C)c2ccccc21 807968986 HPUFZSMGXHWDQS-UHFFFAOYSA-N 317.393 -0.023 50 20 DBGD COC(OC)C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 823068294 QXWHEVIKKUNOOZ-UHFFFAOYSA-N 317.367 -0.001 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H](O)C1CC1 827857193 YNRURAZCYNOFQS-VIFPVBQESA-N 316.358 -0.388 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCCC(N)=O 855830392 FIQRAOGGISNWFF-UHFFFAOYSA-N 314.386 -0.268 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862456604 ZXSNPDKZZUMFDT-NHYWBVRUSA-N 305.334 -0.026 50 20 DBGD O=C(Cc1ccccc1)NCC(=O)NNC(=O)C1CCOCC1 883060391 KCYGLZZQLGRMRX-UHFFFAOYSA-N 319.361 -0.081 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)COc3cccnc3)nc21 1116321085 YOPHRCDSRCJFFV-UHFFFAOYSA-N 315.293 -0.014 50 20 DBGD O=C(NC1CC1)N[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118811406 XDLPNHUVCNFWFM-JTQLQIEISA-N 321.341 -0.700 50 20 DBGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2cnnn2C)c1C 1118827265 JLQADZOEBGMWNV-UHFFFAOYSA-N 324.366 -0.164 50 20 DBGD CC(C)NC(=S)NNC(=O)CCN1CCCS1(=O)=O 1317913913 SPHUCPJEQNRLGS-UHFFFAOYSA-N 308.429 -0.684 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C 1321480515 SFKKQZFWKJGEGK-SSDOTTSWSA-N 318.330 -0.597 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(CCF)c1 1322822790 LVFHCRGRVKOWLI-QMMMGPOBSA-N 318.330 -0.952 50 20 DBGD O=C(CCn1cnccc1=O)NNC(=O)NCC(F)(F)F 1324337801 VGXDIEOPBASZJX-UHFFFAOYSA-N 307.232 -0.474 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ncncc2Cl)nn1 1325983805 QNUSELLSAHKFEK-UHFFFAOYSA-N 324.732 -0.433 50 20 DBGD O=C(NNS(=O)(=O)c1ccoc1)[C@H]1CCS(=O)(=O)C1 1327854268 BLLQOTBUSVJQDO-ZETCQYMHSA-N 308.337 -0.976 50 20 DBGD CN(C)C(=O)CCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1347526613 BYXMABVPEFKFDT-NSHDSACASA-N 319.427 -0.263 50 20 DBGD Cc1c(C(=O)NNC(=O)NC2CC2)nnn1-c1ccn(C)n1 1347612055 LWYOZBXILCZPRI-UHFFFAOYSA-N 304.314 -0.584 50 20 DBGD CCC[C@H]1C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)CCO1 1351665742 FXZDSONFMCACNA-UWVGGRQHSA-N 306.384 -0.226 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1C 1549321679 USPUGPPTEGRFEL-WCQYABFASA-N 320.397 -0.201 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H]2CNCCN2C)cc1F 1578871343 VVRSWCGARHWCMH-GFCCVEGCSA-N 310.329 -0.041 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](O)C[C@@H](C(=O)O)C1 1591111444 NKXJUVLTSFSBRZ-HBNTYKKESA-N 315.370 -0.664 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc2cnn(CC(=O)O)c2c1 1599143485 TZLKKHHEAAZHHY-UHFFFAOYSA-N 321.293 -0.080 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccoc1CC(=O)O 1599246679 CIBGPLGKECNVQV-UHFFFAOYSA-N 300.267 -0.669 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2ccc(CC(=O)O)cc2)CC1 1601192476 MCUFNCYMZIDATD-UHFFFAOYSA-N 313.335 -0.422 50 20 DBGD COc1ccc2c(c1)OC[C@H](NC(=O)NNC(=O)C(=O)O)C2 1607299059 NYLIXGMAZPSDGB-MRVPVSSYSA-N 309.278 -0.586 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)NCCn2cncn2)c1 263716343 ANXJSCIJHORTEG-UHFFFAOYSA-N 317.353 -0.012 50 20 DBGD CC(=O)N1CCC[C@H]1C(=O)NNC(=O)COc1ccccc1O 264479684 NBUKEIIKNRQGJV-NSHDSACASA-N 321.333 -0.071 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)COCc1ccccc1 267147440 RBUOSRZCWSJSKL-LBPRGKRZSA-N 320.349 -0.106 50 20 DBGD CCNS(=O)(=O)[C@H]1CCN(C(=O)/C(C#N)=C/OCC)C1 271504843 HCRBOHLCHZGOES-USKTWTLRSA-N 301.368 -0.029 50 20 DBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 282705118 PCTQMTQLSYOXTA-OPQQBVKSSA-N 320.349 -0.228 50 20 DBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)N(C)C)cc1 490594978 XLEQOWFXRNKXSE-UHFFFAOYSA-N 324.362 -0.486 50 20 DBGD COC(=O)NNC(=O)CS(=O)(=O)NC1CCC(C)CC1 495407170 IOGOOPAEYXGAAR-UHFFFAOYSA-N 307.372 -0.128 50 20 DBGD CN1CCC[C@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 584992531 MDRMAPBGQQBAQQ-INIZCTEOSA-N 302.183 -0.076 50 20 DBGD COc1ccc(Br)c(S(=O)(=O)NCB(O)O)c1 585055638 FUPPEWYDFZSLOB-UHFFFAOYSA-N 323.961 -0.252 50 20 DBGD O=C(NCB(O)O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 585063067 RQODPDMISAVBSB-SRVKXCTJSA-N 304.159 -0.258 50 20 DBGD Cc1cc(C)nc(NNC(=O)CCn2cc[nH]c(=O)c2=O)n1 726868629 BKQDHATZZCRPAM-UHFFFAOYSA-N 304.310 -0.523 50 20 DBGD Cn1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 747956035 SFPJFLAHKGHHJE-UHFFFAOYSA-N 319.321 -0.122 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(=O)NC2 748828931 QLRNKOMABNRIJL-SRVKXCTJSA-N 310.398 -0.079 50 20 DBGD Cc1ccc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)o1 752173628 FQWYMCSWUPAVBO-UHFFFAOYSA-N 305.294 -0.668 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCCN2C(=O)CNC2=O)o1 752371813 AZIISLKBJHRTOG-UHFFFAOYSA-N 323.309 -0.526 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2COc3ccccc3O2)nn1 757402219 KQBVAEVYAQCNLZ-LLVKDONJSA-N 315.289 -0.141 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 764421467 JXYOLFLTBKGZBU-UHFFFAOYSA-N 302.290 -0.240 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H](O)C[C@H]2CO)c1 764981496 PMZGJECPYBCZJH-QWHCGFSZSA-N 307.350 -0.816 50 20 DBGD O=C(NNC(=O)c1ccc2cc[nH]c2n1)C(=O)N1CCCC1 779507754 DTAFJEKREWMXNQ-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)O[C@@H](CO)C2)cc1 787314246 FAMQCPQWMCGCIR-GXTWGEPZSA-N 321.377 -0.162 50 20 DBGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNC(=O)C1CC1 790090262 CFJUXLHDKWFWPT-UHFFFAOYSA-N 317.353 -0.187 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C[C@H]1CCCOC1 793337162 NOCIHNSVZHBAGJ-SNVBAGLBSA-N 309.322 -0.027 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 807382946 VUTGBRWWYMGDQF-MNOVXSKESA-N 311.386 -0.734 50 20 DBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NN(C)[C@@H](C)CO 823965529 OKQUETPWLAAPDB-YUMQZZPRSA-N 300.388 -0.168 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)c2nccnc2N)cc1 825553837 CINFQLXLOFLGOZ-UHFFFAOYSA-N 316.321 -0.060 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 832691371 HLXUKEXXEDCZPK-PSASIEDQSA-N 322.321 -0.399 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCOCCF 852714826 MQFOHFMQABVVLI-UHFFFAOYSA-N 322.337 -0.172 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cn[nH]c2)C1=O 862474114 MKDLPRWLQLVQFC-UHFFFAOYSA-N 322.325 -0.719 50 20 DBGD CCS(=O)(=O)NCCS(=O)(=O)NCC(Cl)Cl 867470957 ZZGVDGWYUIIEIW-UHFFFAOYSA-N 313.228 -0.351 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ccnc(F)c2)nn1 1116518070 RVASNBJTHPUALI-UHFFFAOYSA-N 307.289 -0.343 50 20 DBGD CN1CCCC[C@@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1123665117 VYFOMZRHIHYJDG-DGCLKSJQSA-N 318.443 -0.148 50 20 DBGD CCNC(=O)COc1cccc(NC(=O)NNC(=O)CCO)c1 1254980442 KVCCBKDBEUVIQF-UHFFFAOYSA-N 324.337 -0.263 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)CN2C1 1263702060 AFXRCNPMKOQHLG-UTUOFQBUSA-N 310.398 -0.221 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1319277385 ISLURFXGFKRNEM-VIFPVBQESA-N 306.384 -0.228 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1320159173 BLHZEBFJLFDIGM-RXMQYKEDSA-N 305.747 -0.410 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccnc1OCC(F)F 1320223821 DJURCSVRYHAKPO-UHFFFAOYSA-N 302.237 -0.169 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(C(N)=O)C1 1320492781 XYVMDVZYIIBWJN-DTWKUNHWSA-N 314.342 -0.734 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC2([S@@](C)=O)CCC2)cn1 1321613659 AZTHQMSIMOTTAD-OAQYLSRUSA-N 313.383 -0.335 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC[S@](=O)C(C)(C)C)cn1 1322970127 RLDRHZKNVNQYOU-NRFANRHFSA-N 315.399 -0.089 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1nncc(N)c1Cl 1323051826 JJLMXMIGPMOHCV-UHFFFAOYSA-N 308.751 -0.905 50 20 DBGD Cn1ccnc1[C@@](O)(CC(=O)NNc1nc[nH]n1)C(F)(F)F 1324335188 PJQPBZJTHFGTLM-VIFPVBQESA-N 319.247 -0.179 50 20 DBGD O=C(NNC(=O)N1CCS(=O)(=O)CC1)c1cccc(F)n1 1327561131 CJLRJWMRHPOIMZ-UHFFFAOYSA-N 316.314 -0.695 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O 1330544140 DGTRRUFACDRQOG-HRDYMLBCSA-N 307.372 -0.825 50 20 DBGD COCCC[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1337363217 DKMZNKHCUNARFI-NXEZZACHSA-N 306.384 -0.369 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc(-n3cnnn3)cc2)c1=O 1339892205 OSNZOPWSGWBLOV-UHFFFAOYSA-N 312.293 -0.487 50 20 DBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)C1CCNCC1 1578230960 UNZAKNBSKBEONN-ONGXEEELSA-N 314.386 -0.096 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C/c2ccc(C(=O)O)o2)CC1 1598611580 YHPWEGHPLSEFQL-HWKANZROSA-N 322.321 -0.021 50 20 DBGD NC(=O)c1ccc(NNC(=O)Cc2ccc(C(=O)O)cc2)nn1 1601166947 FEBHUCYMYDWLMM-UHFFFAOYSA-N 315.289 -0.041 50 20 DBGD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)CN1 1843365815 LQYYUOOOTJNKSK-SCZZXKLOSA-N 317.748 -0.140 50 20 DBGD CCNC(=O)NNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 65190460 QJFSQGZXUBETAZ-UHFFFAOYSA-N 319.321 -0.570 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)c1cnn(C)c1)N1CCCC1=O 117682427 SORRTOGNLHJWFX-LBPRGKRZSA-N 307.354 -0.172 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)n1 265799669 NBKOGSZJJTVROV-SNVBAGLBSA-N 308.342 -0.939 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cccc([N+](=O)[O-])c1 266003758 FJJIVRSNWMJSOH-UHFFFAOYSA-N 308.294 -0.191 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C1CCCC1 299588854 SNXGIZMCDOZIDD-LBPRGKRZSA-N 324.381 -0.549 50 20 DBGD Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NNC(=O)CO)cc1 368266656 XXBFBGRFYQQNEB-GFCCVEGCSA-N 305.334 -0.374 50 20 DBGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)CO)C1 496477282 SLBJGGJSYJXKPD-SECBINFHSA-N 317.342 -0.848 50 20 DBGD C=CCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCS(=O)(=O)C1 584933361 FWJYQJKKRZIMBR-CYBMUJFWSA-N 323.179 -0.818 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)NC1CCCC1 584933643 GROJILLSADNSSR-JTQLQIEISA-N 304.155 -0.457 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](C)N1CCOCC1 584941756 OOCIVZRCQZUXIB-QWRGUYRKSA-N 324.161 -0.656 50 20 DBGD CN(CCNC(=O)c1ccc(B(O)O)c(F)c1)CC(F)(F)F 584943583 DQAKRUQJKXNDDI-UHFFFAOYSA-N 322.067 -0.271 50 20 DBGD CCn1cc(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)cn1 584947365 NENWEGUABJBTPI-UHFFFAOYSA-N 305.118 -0.006 50 20 DBGD CN(C)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCOCC1 584947591 VPMBEAXMSHYUGZ-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD CN1CCC[C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@H]21 584962438 FZTBDQOXGMNSEO-UKRRQHHQSA-N 302.183 -0.077 50 20 DBGD Cc1noc(C(C)(C)NC(=O)c2ccc(B(O)O)c(F)c2)n1 584987742 UORXNAAUIGZZSD-UHFFFAOYSA-N 307.090 -0.138 50 20 DBGD C[C@@H]1CN(CCCNCc2ccc(B(O)O)cc2)CCCO1 585037859 LYTOPKAHQLTMMX-CQSZACIVSA-N 306.215 -0.043 50 20 DBGD Cn1nccc1[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)CCO1 585044189 AMMJCYGHSIRWON-MFKMUULPSA-N 305.143 -0.297 50 20 DBGD O=S1(=O)CCC[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1 585051599 JXQAVPWADNQISD-JTQLQIEISA-N 308.124 -0.334 50 20 DBGD Cn1nc(SCC(=O)NN=Cc2ccco2)c(=O)n(C)c1=O 730568840 DWINYBVJZRWNEQ-UHFFFAOYSA-N 323.334 -0.686 50 20 DBGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)C1CCC1 732245953 KWKPTJUKGAHMSV-UHFFFAOYSA-N 306.388 -0.554 50 20 DBGD COCCCNC(=O)NNC(=O)CCCn1ccccc1=O 735039528 ZFWCDUYAKOEEOT-UHFFFAOYSA-N 310.354 -0.005 50 20 DBGD CC(=NNC(=O)C(=O)NC1CC1)c1cccc(-n2cnnn2)c1 744823891 IUCNSSLUAHMAGM-UHFFFAOYSA-N 313.321 -0.219 50 20 DBGD COC(=O)[C@@H]1COCCN1[C@@H](C)C(=O)NNC(=O)CC(C)C 752311929 UPRVTQXAILBGQZ-QWRGUYRKSA-N 315.370 -0.558 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2coc(S(N)(=O)=O)c2)n[nH]1 757651780 ZPZKCVZIABWSBV-UHFFFAOYSA-N 313.295 -0.967 50 20 DBGD CS[C@@H](C)CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758025737 NNVVUTCENNPJBJ-YUMQZZPRSA-N 311.429 -0.397 50 20 DBGD COC(=O)C[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 759052193 IEUZKQYBJDPJOY-UWVGGRQHSA-N 306.384 -0.322 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCNC(=O)C1 760266032 YNEOLSKDJXPTRO-JTQLQIEISA-N 321.333 -0.252 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 764317099 IOZILPSGFUODMN-JTQLQIEISA-N 321.333 -0.016 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)nc1 769738123 HQVMVFABYAQAIM-UHFFFAOYSA-N 321.318 -0.801 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)CCN2C 778319519 UMGJCGXZGUGOGU-UHFFFAOYSA-N 304.350 -0.036 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1Cc2ccccc2O1 789857600 IRLIZPRCWMCYIM-GFCCVEGCSA-N 303.318 -0.240 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@]1(O)CCSC1 804953762 CTLQWDJGSZBOHJ-LBPRGKRZSA-N 306.351 -0.027 50 20 DBGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NN(C)C(N)=O 810829093 ZYTVCAYXBUKJQJ-JTQLQIEISA-N 310.358 -0.475 50 20 DBGD CCN(CCO)NC(=O)Cc1cccc(NS(C)(=O)=O)c1 823856332 PSVGDOYTIJTDNF-UHFFFAOYSA-N 315.395 -0.054 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNc1ccc(C(=O)O)cn1 833501518 AYIYDFLMLFSYPY-UHFFFAOYSA-N 323.353 -0.321 50 20 DBGD CO[C@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C12CCC2 834954534 YWCQISBILGVTGY-WPRPVWTQSA-N 303.384 -0.015 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)[C@@H]2CCO[C@H]2C)nn1 842558422 XOZZOFMIUGMEQN-VHSXEESVSA-N 309.326 -0.284 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](c1cncn1C)N(C)C 843970864 MHCLDOVKUIZHLQ-HOSYDEDBSA-N 309.370 -0.405 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)c1cccc(F)n1)S(N)(=O)=O 856427224 RXDZIPFUYIWUQP-QMMMGPOBSA-N 318.330 -0.561 50 20 DBGD Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858696512 MOEXROKFKQYDQX-NEPJUHHUSA-N 320.349 -0.363 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@H]1COCCN1 861680208 GJWGHFVFCAZTGS-LBPRGKRZSA-N 310.329 -0.313 50 20 DBGD COc1ccccc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863413977 PCFRVEZFFAJPQP-MRVPVSSYSA-N 313.335 -0.717 50 20 DBGD CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1ccc(B(O)O)cc1 863879247 PCQAKBDLAOOKCR-HNNXBMFYSA-N 323.154 -0.811 50 20 DBGD CCCCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)cn1C 920766584 DHMKHFYSNOQXSA-UHFFFAOYSA-N 317.371 -0.583 50 20 DBGD O=C(NNC(=O)c1cnc2n1CCCCC2)C(=O)NC1CC1 1261762306 NHMBTYZOCOGLQS-UHFFFAOYSA-N 305.338 -0.351 50 20 DBGD CCOC(=O)NCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319172961 YWNMRAFASCSUFA-UHFFFAOYSA-N 323.309 -0.696 50 20 DBGD COc1cc(NC(=O)C(=O)NNc2cc(C)nc(C)n2)ncn1 1320549938 VVKGYEGNXAOTNO-UHFFFAOYSA-N 317.309 -0.026 50 20 DBGD Cc1cc(F)cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 1321615469 SHAXOLHSEQYBCL-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD Cc1nn(C)c(C(=O)NNC(=O)c2cnn(C)c2)c1[N+](=O)[O-] 1321905627 MROPIGLNNFEOSY-UHFFFAOYSA-N 307.270 -0.555 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCn2c(nnc2C(F)F)C1 1326390980 LPQVVKUUOWDIAW-ZETCQYMHSA-N 316.312 -0.023 50 20 DBGD O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCS(=O)(=O)N1 1326498196 XHEZKZKSQBCSEK-MRVPVSSYSA-N 324.322 -0.734 50 20 DBGD Cc1ccncc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1328219826 HMRRKYMLBADJFR-ZJUUUORDSA-N 306.322 -0.099 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NNc2cc(Cl)ccn2)N1 1328718973 QEOBAOFCAUMUOT-SSDOTTSWSA-N 312.717 -0.329 50 20 DBGD C=CCNC(=S)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1330306033 VSSGWIIJIUTHAM-VIFPVBQESA-N 305.425 -0.117 50 20 DBGD Cc1c([C@@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cnn1C 1331504107 NMXWJOOLFJLXDK-XCBNKYQSSA-N 308.342 -0.601 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1c[nH]c2cnccc12 1331737289 WJTXHGYJAIEEQP-UHFFFAOYSA-N 310.335 -0.703 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1COc2cc(F)ccc2C1 1333799570 NLCRIZCEXJVPSE-VIFPVBQESA-N 311.269 -0.367 50 20 DBGD O=C(NNC(=O)N1CCN([C@H]2CCOC2)CC1)c1cccnn1 1336946338 HKNMKOAFXPZFBN-NSHDSACASA-N 320.353 -0.763 50 20 DBGD C[C@@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)C[C@H](O)CN1 1576350957 UVSLHXDQERDPRP-LRDDRELGSA-N 316.361 -0.098 50 20 DBGD Cc1ccccc1[C@H](N)C(=O)NNC(=O)N1CCN(C)CC1 1579793334 HLGJYZLBHNOCMY-ZDUSSCGKSA-N 305.382 -0.017 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCCCC1)[C@H]1COCCO1 1594779029 JAUASXGCJOCVLM-SECBINFHSA-N 300.311 -0.416 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C 1609300778 JOEZDXYFYFAJAH-UHFFFAOYSA-N 319.281 -0.499 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ocnc1C(=O)O 1609881108 ZILJDXAPKJSARB-YUMQZZPRSA-N 311.294 -0.122 50 20 DBGD O=C(CCn1cncn1)NNC(=O)c1ccc2c(c1)OCCO2 42004653 MKQGGFQKAAKIMT-UHFFFAOYSA-N 317.305 -0.099 50 20 DBGD Cc1nnc(SCC(=O)NNC(=O)c2cccs2)n1N 47820443 PYDUBFBBALZQNU-UHFFFAOYSA-N 312.380 -0.085 50 20 DBGD C[C@]1(NS(=O)(=O)CBr)CCS(=O)(=O)C1 127245809 HDTMWIXRUNCMHC-LURJTMIESA-N 306.203 -0.165 50 20 DBGD Cc1ccnc(NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 290465307 RMRAGTQIMPJXQM-UHFFFAOYSA-N 324.366 -0.455 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C(C)C)N1CCCC1=O 299618169 PVLYMRCMXCLMQK-NSHDSACASA-N 312.370 -0.695 50 20 DBGD COC(=O)N(C)NC(=O)Cn1c(=O)nc(O)c2ccccc21 496295701 PVFHPFQBOOWHMG-UHFFFAOYSA-N 306.278 -0.169 50 20 DBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CN2CCC1CC2 584946781 WXWREOUKCPQQHP-AWEZNQCLSA-N 306.146 -0.328 50 20 DBGD O=C(NCCn1cnnc1C1CC1)c1ccc(B(O)O)cc1 584948743 OJIYYPAFKGVORC-UHFFFAOYSA-N 300.127 -0.735 50 20 DBGD CN(CCCO)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584967946 OVSXSNKJBCJVRD-UHFFFAOYSA-N 320.198 -0.715 50 20 DBGD O=C(CN1CCCCCC1=O)NNC(=O)CN1CCCC1=O 726260415 MIMWJHYUROJEIS-UHFFFAOYSA-N 310.354 -0.841 50 20 DBGD COCCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 727099508 XRECUWKLYBXLMM-UHFFFAOYSA-N 304.306 -0.269 50 20 DBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O 729625617 ALWJEOYIODWOJX-CHWSQXEVSA-N 322.409 -0.123 50 20 DBGD CNS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)C(C)(C)C)C1 733348198 NAYQHBDUOQUNNU-VIFPVBQESA-N 320.415 -0.213 50 20 DBGD O=C(NNS(=O)(=O)c1cnc[nH]1)[C@H]1COc2ccccc2O1 736540467 ZILQXLGEENYGBR-SNVBAGLBSA-N 324.318 -0.441 50 20 DBGD COc1cccc([C@H](O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 755284855 ZMJZMSACZVVECS-ZDUSSCGKSA-N 304.306 -0.158 50 20 DBGD CCCCSCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758034542 HCQOHODHWPPBTN-MRVPVSSYSA-N 311.429 -0.395 50 20 DBGD COC[C@@](C)(O)C(=O)NNc1ccccc1S(C)(=O)=O 766663364 POEQJEPKFHKMSR-GFCCVEGCSA-N 302.352 -0.069 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 770855816 GBLLHPVXLNFJDS-KOLCDFICSA-N 306.322 -0.616 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778438719 VGCWFMNLOYPXLW-UHFFFAOYSA-N 316.358 -0.427 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC(=O)N(C)C[C@H]2C)cc1 782590211 AXHNJWSVQIZUML-GFCCVEGCSA-N 318.377 -0.081 50 20 DBGD CC(C)(C(=O)NNC(=O)N1CCOCC1)S(=O)(=O)C1CC1 786018354 GZXZPTSEWMHUGG-UHFFFAOYSA-N 319.383 -0.585 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 802026184 ALBZFXSVSIFQTP-UHFFFAOYSA-N 318.249 -0.021 50 20 DBGD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)CO 810389607 JNEBBQJFPUPXTI-UHFFFAOYSA-N 310.266 -0.765 50 20 DBGD CNC(=O)NCCC(=O)NNc1ccccc1S(C)(=O)=O 815827643 IQHCTILFDBEOPV-UHFFFAOYSA-N 314.367 -0.148 50 20 DBGD CC(=O)NCCN(C)CC(=O)NNC(=O)c1cccc(C)c1 830148441 XEENFSMBXHCJIQ-UHFFFAOYSA-N 306.366 -0.176 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CC12CCNCC2 831180632 PXVPXSRKHLXJCR-QWRGUYRKSA-N 314.386 -0.490 50 20 DBGD C[C@H](NC(=O)O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 833739890 VKKCNYYATQDLBI-OIBJUYFYSA-N 309.278 -0.370 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Cn1cnc2ccccc21 847286230 JMLCNKMZBXMYCT-NXEZZACHSA-N 315.333 -0.305 50 20 DBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNc1ccc(C(N)=O)nn1 857150026 KNWGQBFRXRHSPL-LLVKDONJSA-N 322.369 -0.041 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C2=NO[C@@H](c3ccccc3)C2)N1 862452897 PAFHVDKRNBINRV-CMPLNLGQSA-N 316.317 -0.070 50 20 DBGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862472018 RWUMKXGDIYJUSJ-VIFPVBQESA-N 311.367 -0.128 50 20 DBGD Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)CS(C)(=O)=O 863464739 SREHSNUQWMRNFV-UHFFFAOYSA-N 316.310 -0.491 50 20 DBGD O=C(N[C@H]1CCn2cncc2C1)c1cc(B(O)O)ccc1F 869103529 NOLPFDRYFIIMHP-JTQLQIEISA-N 303.102 -0.553 50 20 DBGD CNS(=O)(=O)C1CCN(S(=O)(=O)CCCCl)CC1 881878416 GKLMMDREQZHIFT-UHFFFAOYSA-N 318.848 -0.041 50 20 DBGD O=C(COC(=O)C[C@H]1COC(=O)C1)NNC(=O)c1ccccc1 1116299354 WHOQCWZWPMHIDB-JTQLQIEISA-N 320.301 -0.056 50 20 DBGD O=C(CC1CC1)NNC(=O)C(=O)Nc1ccnc(OCCO)c1 1118486382 GOJLRJUIJYZDHX-UHFFFAOYSA-N 322.321 -0.661 50 20 DBGD C[C@H](NC(=S)NNC(=O)c1cn(C)c(=O)nc1O)C1CC1 1118774603 ORMLOHPVENPJCI-LURJTMIESA-N 311.367 -0.607 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 1255080065 ZKWKFUTYJDVODI-UHFFFAOYSA-N 315.355 -0.704 50 20 DBGD CCc1cc(NC(=O)C(=O)NNc2nccc(OC)n2)n(C)n1 1320387434 UNCHVVWOPPRYHS-UHFFFAOYSA-N 319.325 -0.137 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnn(C(F)F)c1 1321672803 ROVFUVFDMNCVPP-UHFFFAOYSA-N 304.257 -0.091 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCn2c(nnc2C(F)F)C1 1326448276 NBJCCBRMKNLHHY-UHFFFAOYSA-N 316.312 -0.165 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)[C@@H](C)OCCOC)nn1 1328640945 ASSDLHGRSLZDIR-SECBINFHSA-N 314.346 -0.820 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1340988341 YIAMBKQPAUNJLZ-SECBINFHSA-N 317.371 -0.255 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)NC)n1 1342875575 CCNQCIUTCLIASG-QMMMGPOBSA-N 322.321 -0.456 50 20 DBGD CN(C)N(C(=O)[C@H]1NCc2n[nH]cc21)[C@@H]1CCS(=O)(=O)C1 1578420164 AVOWQTSOOVMTHM-KCJUWKMLSA-N 313.383 -0.954 50 20 DBGD O=C(NNC(=O)[C@H]1NCCOc2ccccc21)c1cnn[nH]1 1580736564 XTRXOEGWNDSKCW-NSHDSACASA-N 302.294 -0.711 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NN=c1cc[nH]cc1Cl 1609537901 APNJBJQSPFGNLX-UHFFFAOYSA-N 320.704 -0.928 50 20 DBGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1781211343 QMPDDJDYHUYQMY-RNCFNFMXSA-N 320.773 -0.856 50 20 DBGD CC(=O)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 18708676 RGVSDMWHNXBCLH-UHFFFAOYSA-N 322.340 -0.249 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCCO2)C1=O 42968249 HJVBYHIQIRVKNK-LKFCYVNXSA-N 324.337 -0.967 50 20 DBGD CCN1CCO[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 183789189 XDFKFOKIHGLPCR-ZETCQYMHSA-N 300.750 -0.124 50 20 DBGD Cc1ccc(C(=O)NNS(=O)(=O)N2CCOCC2)s1 268798162 XHZFSBJEUYATPQ-UHFFFAOYSA-N 305.381 -0.132 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 276672315 VCPZXDYQOMNNBU-NWDGAFQWSA-N 320.349 -0.454 50 20 DBGD C[C@H](CCNC(=O)c1ccc(B(O)O)c(F)c1)[S@@](C)=O 584962635 JGIITTQFOWXCHD-ZPWHCFADSA-N 301.148 -0.608 50 20 DBGD O=C(N[C@@H](CO)CN1CCCCC1)c1cc(B(O)O)ccc1F 584988424 NCWHVRSAYVATIT-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD CS(=O)(=O)[C@H]1CCC[C@H](NCc2cccc(B(O)O)c2)C1 585028642 MKXSQZOBSJUBST-KBPBESRZSA-N 311.212 -0.188 50 20 DBGD O=C1CCCN1CCc1nc(-c2ccc(B(O)O)cc2)no1 585050813 LUFKQBSYIJNEGI-UHFFFAOYSA-N 301.111 -0.419 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 729304379 QRIGDKPFAYYSIX-UHFFFAOYSA-N 310.354 -0.893 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cn1 735446279 JWDCYTBJCYDYFK-VIFPVBQESA-N 307.354 -0.172 50 20 DBGD COCCn1cc(NC(=O)NNC(=O)c2cnn(C)c2)cn1 735509482 IFLZNLVZHXLEKL-UHFFFAOYSA-N 307.314 -0.271 50 20 DBGD COc1ccccc1C(=O)NNC(=O)c1nc(O)nc(O)c1N 746241580 YCSZUXBXIAOEJC-UHFFFAOYSA-N 319.277 -0.447 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)C[S@](C)=O)n1 753361234 ZUVKFTIEUXRRCQ-FPVGNUTFSA-N 315.399 -0.403 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccnnc2)cc1 756751777 BKEHXGODXFQOHT-UHFFFAOYSA-N 320.330 -0.045 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1(C)CCC1 758051971 ISYVSCHEDSIXQN-QMMMGPOBSA-N 307.372 -0.969 50 20 DBGD CCCOc1cccnc1C(=O)NNC(=O)C(=O)NC1CC1 760073505 ISXPXUCVYNDJSC-UHFFFAOYSA-N 306.322 -0.090 50 20 DBGD Cn1ccc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 763276328 HCQKZOFIQSUHLD-UXBLZVDNSA-N 313.317 -0.205 50 20 DBGD CCN1C[C@@H](C(=O)NNC(=S)NCCSC)CC1=O 770245143 ARXGRHKGSMGTBI-QMMMGPOBSA-N 304.441 -0.287 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(O)CCOCC1 772088446 LNFPXUMDUNYNTN-JTQLQIEISA-N 316.354 -0.347 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCC(=O)N(C)C 785832533 YPNRMTNVTWJXMW-VIFPVBQESA-N 301.343 -0.266 50 20 DBGD CO[C@@H](C)CN(C)C(=O)NNC(=O)CNC(=O)c1ccco1 805043863 UZECWJGYVDCTCO-VIFPVBQESA-N 312.326 -0.283 50 20 DBGD C#Cc1ccccc1CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 810346861 ZIIHRVSZJLOIOH-SNVBAGLBSA-N 323.374 -0.705 50 20 DBGD CN(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 819642503 JXLLVGPNUITLGY-UHFFFAOYSA-N 308.363 -0.150 50 20 DBGD C#CCOCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 823851071 YPMBFGUOLSUYRM-UHFFFAOYSA-N 314.305 -0.332 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCNC(=O)c1ccco1 825617039 BLBYCLYKGAHUSR-NXEZZACHSA-N 324.337 -0.235 50 20 DBGD CNC(=O)CCCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827280283 AZGQAAXTRPUZMI-VHSXEESVSA-N 300.359 -0.390 50 20 DBGD COCCNCCNC(=O)NNC(=O)COc1cccc(C)c1 841968379 PXGZWSRWRVEIKS-UHFFFAOYSA-N 324.381 -0.060 50 20 DBGD C[C@@H](COCC1CC1)NC(=O)NNC(=O)C(=O)N1CCCC1 845584674 VVZYRMFXNGSBJV-JTQLQIEISA-N 312.370 -0.246 50 20 DBGD Cc1c(F)cccc1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 861947240 SNIPCGHENUEYIX-SNVBAGLBSA-N 322.296 -0.501 50 20 DBGD COc1cccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862452739 NQFQKJBTYBAHPB-LLVKDONJSA-N 307.306 -0.500 50 20 DBGD O=C(N[C@@H]1CCCC2(C1)OCCO2)c1ccc(B(O)O)cc1 863877872 HZBXLQCQJAXGNQ-CYBMUJFWSA-N 305.139 -0.218 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)CCOc2ccccc2)C1=O 900435915 SKUUCJTYETUZQK-ZDUSSCGKSA-N 321.333 -0.540 50 20 DBGD CCOCCO[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 918147947 NJVFOXRCYIHURS-VXGBXAGGSA-N 322.427 -0.080 50 20 DBGD O=C(NNC(=O)c1cc2cccn2cn1)C(=O)N1CCCC1 931248483 VLYQANIIXLFBIA-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD CNC(=O)NNC(=O)c1ccc(S(=O)(=O)CCOC)cc1 1115932081 KXAATVKRNODFOG-UHFFFAOYSA-N 315.351 -0.320 50 20 DBGD COc1ccc(S(=O)(=O)CCC(=O)NN(C)C(N)=O)cc1 1116502765 CCWOQPLQOWULPU-UHFFFAOYSA-N 315.351 -0.099 50 20 DBGD C[S@](=O)C1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 1116910881 LVSXAEHKGMISAH-DGIBIBHMSA-N 323.440 -0.722 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)c(=O)n(C)c1 1320241808 ZEMXJQUIHDCVMY-UHFFFAOYSA-N 306.322 -0.420 50 20 DBGD CO[C@H]1CCC[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)C1 1335369432 ZVZQBMBWPOENFT-UWVGGRQHSA-N 306.384 -0.226 50 20 DBGD C[S@](=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1348388383 OZGPJSTZHLEYDZ-CWKPULSASA-N 309.347 -0.536 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2NCC23CCOCC3)n1 1579585203 XTCVNJAQYJEFLX-CYBMUJFWSA-N 321.381 -0.584 50 20 DBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1783876032 LLVDKZCHSDOMTC-ZWNOBZJWSA-N 319.789 -0.971 50 20 DBGD CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](F)Cl 1847765800 ZBXFQZRNMNLADA-LAEOZQHASA-N 305.737 -0.141 50 20 DBGD CCCCNC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 138958241 UDDLMINJTKSBSF-QMMMGPOBSA-N 308.429 -0.348 50 20 DBGD CC(C)OCCS(=O)(=O)NNC(=O)Cc1cccnc1 267408384 XVCVYJBRIFMQMO-UHFFFAOYSA-N 301.368 0.000 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CN(C)CCO1 267993550 LEWQMHMSHGNQHG-CYBMUJFWSA-N 307.350 -0.284 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCCS1 268332444 NBMDWMWMZDUEDE-GFCCVEGCSA-N 300.384 -0.119 50 20 DBGD O=C(CC(=O)NNC(=O)c1ccncc1)NCC(F)(F)F 272346536 JFXVAWICZISDSL-UHFFFAOYSA-N 304.228 -0.089 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(N2CCNC2=O)cc1 276278573 PNZBLMNNJNALBB-UHFFFAOYSA-N 306.322 -0.252 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cncc(OC)c1 282033256 QEAXHJDMCDGKKN-UHFFFAOYSA-N 318.355 -0.381 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1 282060722 SCPWSFODHQAURX-UHFFFAOYSA-N 317.323 -0.396 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1C 288584402 GVPAEDQANVLAGW-UHFFFAOYSA-N 323.309 -0.401 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CCS(C)(=O)=O)cc1 298728725 QLKNZOWNDCXBGW-UHFFFAOYSA-N 314.363 -0.044 50 20 DBGD CC(=O)NCC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584932640 BLDAJPTZOAWSEP-UHFFFAOYSA-N 304.155 -0.645 50 20 DBGD CCS[C@@H]1CC[C@]1(O)CNC(=O)c1ccc(B(O)O)cc1 584957230 MSJBDLZYVLOVCY-OCCSQVGLSA-N 309.196 -0.257 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](N2CCOCC2)C1 584996113 XUDIADMNTWHRRP-OAHLLOKOSA-N 318.182 -0.697 50 20 DBGD COCCOCCOCCCNCc1ccccc1B(O)O 585036801 PRIXAORAFLWHMJ-UHFFFAOYSA-N 311.187 -0.474 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=S)NCC1CCC1 727866253 WLPXJIMEUMEROU-UHFFFAOYSA-N 320.440 -0.683 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 740852077 JNZHCNDKYUITDW-SECBINFHSA-N 312.370 -0.693 50 20 DBGD O=C(NNC(=O)[C@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 746103066 OHBLMMYBKFSBOU-GHMZBOCLSA-N 312.347 -0.698 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)NC[C@@H]2C1 752332225 NBXZUZYVVDIQOO-GHMZBOCLSA-N 311.386 -0.722 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CCCCO1 758040395 PFDNCFQTKYXPON-BDAKNGLRSA-N 307.372 -0.969 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)o1 759773323 DSPHLTTWZOUFDK-BDAKNGLRSA-N 310.310 -0.435 50 20 DBGD O=C(Cn1cccn1)NNC(=O)[C@H]1COc2ccccc2O1 765999891 FYSQUIILDVJVBO-GFCCVEGCSA-N 302.290 -0.130 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1O 768767697 NJXLAHQTIWLEPP-GWCFXTLKSA-N 302.334 -0.368 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](F)c1ccccc1 769651604 UOZFUJAESGINEK-WCBMZHEXSA-N 317.342 -0.218 50 20 DBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NN(C)C(N)=O)ccc21 770534989 PZOZIIRBTBEHIQ-UHFFFAOYSA-N 305.294 -0.635 50 20 DBGD O=C(NNc1ncccn1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779593900 OTRRZGRLNFSIAD-GHMZBOCLSA-N 314.305 -0.110 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1sccc1C 779846687 NUHKTYGOMBCWCZ-UHFFFAOYSA-N 307.353 -0.278 50 20 DBGD COC(=O)C[C@@H](C)CC(=O)NNC(=O)N1CCN(C)CC1 809794089 AGHWCECJIRPEJC-JTQLQIEISA-N 300.359 -0.436 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CC1)OCCO2 827266188 AVEDPVBXWNPNPX-WDEREUQCSA-N 313.354 -0.009 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)CO1 828428131 TXEMVNXTRFBEJJ-RNFRBKRXSA-N 307.314 -0.128 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(CC#N)CC(=O)O)cc1 832911285 CAFUTLLABCRSQS-UHFFFAOYSA-N 304.306 -0.334 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(C)n1 834816041 NHOCNAQTRPUIMM-VIFPVBQESA-N 314.367 -0.521 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H]([C@H](C)N)C2)cc1 843356529 WQAWYCQAMZTTAF-JSGCOSHPSA-N 320.393 -0.196 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)N1CCOCC1)CC2 845337334 TYDBJZRFGBAPCH-LLVKDONJSA-N 307.354 -0.173 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cncnc1C 848402921 KGFJOEOTVOGFEE-JTQLQIEISA-N 311.367 -0.005 50 20 DBGD CNC(=S)N(C)NC(=O)CN(C)c1ncnc2[nH]cnc12 854926279 ZRUPDAHKPPXUMI-UHFFFAOYSA-N 308.371 -0.744 50 20 DBGD C[C@@H](Sc1ccccn1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456079 MCVUPUCWFXXHGP-BDAKNGLRSA-N 308.363 -0.012 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)N1 862457976 UWNSSPAEHRSEFM-QMMMGPOBSA-N 308.250 -0.660 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2(N(C)C)CC2)C[C@@H](C)O1 863853818 DLSFCPUXMFVABM-VXGBXAGGSA-N 312.414 -0.273 50 20 DBGD C[C@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CNCCO1 876656002 BQQYJUXBBYQZAH-CYBMUJFWSA-N 313.379 -0.088 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)cc2)CCN1C1CCOCC1 877077689 QZRQEBOYDVRHSI-OAHLLOKOSA-N 318.182 -0.764 50 20 DBGD C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)n1cncn1 915262185 RXTAAASDFYWMAP-JTQLQIEISA-N 314.305 -0.063 50 20 DBGD COC[C@H](C)NC(=S)NNC(=O)CCN1CCOCC1 1115813422 NNJOVIWBVADYRZ-JTQLQIEISA-N 304.416 -0.761 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C 1323940788 JUBUDQSJCFAWCH-UHFFFAOYSA-N 320.349 -0.063 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(=O)n(CCOC)c1 1326978819 PTCYLUPWRIINFK-UHFFFAOYSA-N 310.379 -0.210 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@H]1C1CC1 1329758011 BOUFQNORXXSKSV-WDEREUQCSA-N 321.337 -0.105 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)c1cccc(F)n1 1329963266 FVPRQMIHXAOJSP-UHFFFAOYSA-N 320.371 -0.626 50 20 DBGD CC(=O)Nc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1330107567 FFVHJXQSKLPAFP-LBPRGKRZSA-N 318.333 -0.387 50 20 DBGD COC(=O)c1nscc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1335432199 LVGICBMRYHNRIW-ZCFIWIBFSA-N 320.157 -0.833 50 20 DBGD CN(NC(=O)C1CCN(C(=O)c2cccnc2)CC1)C(N)=O 1337551768 VIWMEHIWPYNNCD-UHFFFAOYSA-N 305.338 -0.025 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNC(=O)c1ccc[nH]1 1582138370 BFSJBXDMTJVZDA-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD CN1C[C@H](O)C[C@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591171597 LISXLXVPCOCLQP-NOZJJQNGSA-N 318.341 -0.840 50 20 DBGD Cc1c(C(=O)NNC(=O)C(C)(C)O)cccc1-c1nn[nH]n1 1591809035 BDUIOOCUTKYNOV-UHFFFAOYSA-N 304.310 -0.293 50 20 DBGD O=C(CCCn1ccc(C(=O)O)n1)NNC(=O)c1cn[nH]c1 1601273539 FBQOBPRDVCTWNW-UHFFFAOYSA-N 306.282 -0.454 50 20 DBGD O=C(NCCN1CCNCC1)NNc1cccc(C(=O)O)c1 1601502372 NRHOUEMFFJXJRD-UHFFFAOYSA-N 307.354 -0.084 50 20 DBGD O=C(O)CC1(C(=O)NNC(=O)c2ccnnc2)CCOCC1 1606071558 ITANHARVIHCEEP-UHFFFAOYSA-N 308.294 -0.491 50 20 DBGD O=C(c1ccnnc1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349773 NOPOLRVKTBLICK-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD CCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)NC(C)C 62930829 HGNFHUBJXRMBLU-UHFFFAOYSA-N 319.343 -0.513 50 20 DBGD Cc1ccsc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 67181421 ZRRYFFWVQFUTEK-ZETCQYMHSA-N 305.381 -0.245 50 20 DBGD CCN(C)S(=O)(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 266759572 GBQMAIXVUYDUMQ-UHFFFAOYSA-N 318.311 -0.269 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccc1 272511722 URIWYQFZCIMHKT-CABZTGNLSA-N 305.334 -0.277 50 20 DBGD C[C@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCCOC1 272668923 JXOKKRGHQYWOCS-HNNXBMFYSA-N 320.349 -0.225 50 20 DBGD COc1ccnc(NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 369048982 ZGJMGAJBTCPDKO-GHMZBOCLSA-N 322.369 -0.026 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)S1(=O)=O 584991220 WKPFAPPNYYYDTH-NXEZZACHSA-N 311.168 -0.986 50 20 DBGD CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCB(O)O 585054014 GCLBYUBYMGNHEV-NSHDSACASA-N 314.097 -0.153 50 20 DBGD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@@H](B(O)O)C1 585058514 HHSVEUKAIXKBRH-SNVBAGLBSA-N 314.128 -0.027 50 20 DBGD COc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c(O)c1 728434773 PRGKRVQOCONBMM-MRVPVSSYSA-N 315.351 -0.211 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)cc1O 728436547 HFDWJSDACNTTMO-SSDOTTSWSA-N 301.324 -0.514 50 20 DBGD O=C(CSc1nnnn1C1CC1)NNC(=O)Cc1cc[nH]n1 730091541 HOCOVZXQGXXPEB-UHFFFAOYSA-N 322.354 -0.787 50 20 DBGD O=C(CCCn1ccccc1=O)NNC(=O)N1CCOCC1 735036957 AXAADHSTKQCRPG-UHFFFAOYSA-N 308.338 -0.299 50 20 DBGD CN(C)c1ccc(NC(=O)NNC(=S)NCC(N)=O)cc1 741856542 OSADEHGGZLQPCI-UHFFFAOYSA-N 310.383 -0.262 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 745978195 QFBXNYGSFFLGKF-UHFFFAOYSA-N 318.355 -0.286 50 20 DBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 755889123 KSZQFVLPULHNFR-DTWKUNHWSA-N 302.400 -0.490 50 20 DBGD CS(=O)(=O)Cc1cccc(NC(=O)NNC(=O)CO)c1 756268637 DPXPGWJVEGNQTG-UHFFFAOYSA-N 301.324 -0.624 50 20 DBGD Cn1nc(C(=O)NNC(=O)C2(O)CCC2)c2ccccc2c1=O 771876372 VUCUHSQRWCMADJ-UHFFFAOYSA-N 316.317 -0.391 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1 771882462 UVUDJOSHQJQDDB-SNVBAGLBSA-N 321.333 -0.095 50 20 DBGD CNC(=O)Cn1nc(NC(=O)NNc2ncccn2)cc1C 775701066 ZCUNRTXUUDRCBT-UHFFFAOYSA-N 304.314 -0.124 50 20 DBGD COC(=O)c1ccccc1NNC(=O)Cn1ncn(C)c1=O 778962428 BXCJQPMTEUVQFU-UHFFFAOYSA-N 305.294 -0.488 50 20 DBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1cccc(F)c1[N+](=O)[O-] 791076380 ORFRMBIGLJVYCT-ZETCQYMHSA-N 311.229 -0.225 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc2[nH]c(O)nc2c1 808633935 IQAITPKYRNHTMB-ZCFIWIBFSA-N 321.293 -0.234 50 20 DBGD CC(=O)NCCN(C)C(=O)NNC(=O)c1ccc(C#N)cc1 825814657 IXYCCVCCGGIMKA-UHFFFAOYSA-N 303.322 -0.019 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCS(=O)(=O)C1CC1 826974213 KBLVKSLTUOYJBU-WCBMZHEXSA-N 319.383 -0.681 50 20 DBGD CC[C@H](CNS(C)(=O)=O)NC(=O)NNC(=O)CC(C)C 838655622 HKJZWBZAIVUAHB-SECBINFHSA-N 308.404 -0.309 50 20 DBGD COCCCn1cc(C(=O)NNC(=O)c2cnn(C)c2)cn1 859447869 YALZRZCVAHMLNO-UHFFFAOYSA-N 306.326 -0.272 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)N1 862460243 GLHWWCNEAILUQR-ONGXEEELSA-N 322.277 -0.946 50 20 DBGD Cc1csc(C(=O)NNC(=O)C2(S(N)(=O)=O)CC2)c1 862479874 DZTBXLJKGGWCPF-UHFFFAOYSA-N 303.365 -0.361 50 20 DBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1cnn[nH]1 918278455 AFLOACBKJIHHTG-UHFFFAOYSA-N 306.238 -0.447 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1cnnc2ccccc12 1116065632 BMJUYAOIABRFNX-UHFFFAOYSA-N 300.278 -0.375 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=S)NC(C)C)C(C)C 1116126655 UCUCVQSGYFDZOV-JTQLQIEISA-N 304.416 -0.323 50 20 DBGD CC(=O)NC1CCC(C(=O)NNC(=O)N2CCOCC2)CC1 1263721886 FLDYTGZXLQNCDZ-UHFFFAOYSA-N 312.370 -0.246 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C[C@@H]2CCOC2)CC1 1319994917 JATNZNOCVXDKIY-OLZOCXBDSA-N 312.414 -0.414 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(-n2cccn2)ccn1 1321953631 CETATWCUZWOPCI-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD N#CCCCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1324037544 QHGCNEHFGDIKGP-JTQLQIEISA-N 316.383 -0.022 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1 1328085132 MVRWGFSOWWEAIY-UHFFFAOYSA-N 321.215 -0.477 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)c2cn(C)c(=O)nc2O)n1 1328675635 QNGXMMYTYOHBKW-UHFFFAOYSA-N 310.701 -0.005 50 20 DBGD O=C(CCS(=O)(=O)C1CCCC1)N1CC[C@H](B(O)O)C1 1329293713 UAZXVOHFZLFPNH-JTQLQIEISA-N 303.189 -0.191 50 20 DBGD CCc1ocnc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1339376448 GPACICDQVYRTBZ-ZETCQYMHSA-N 301.324 -0.567 50 20 DBGD C[C@H](CCS(C)(=O)=O)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1345733184 NTNVFDSKGGJROA-OPRDCNLKSA-N 321.399 -0.435 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCCCN1C 1346696349 RPKKDWJROOEMBK-RYUDHWBXSA-N 316.402 -0.147 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](F)[C@H]1CCNC1 1579016131 AKBZOCOYQJRSDG-VHSXEESVSA-N 306.407 -0.192 50 20 DBGD COC(=O)C(=O)NN=Cc1ccc(OC)c(-c2nn[nH]n2)c1 1591225940 FYEGZUNWBWKHOL-UHFFFAOYSA-N 304.266 -0.502 50 20 DBGD CC(C)NC(=S)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1591661188 WADRZJKZMHQZBM-QMMMGPOBSA-N 316.383 -0.787 50 20 DBGD CN(C)S(=O)(=O)CC(=O)NNc1ccc(C(=O)O)cn1 1598259093 AIOODOMGXODNAD-UHFFFAOYSA-N 302.312 -0.886 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(C(=O)O)c1 1610505035 OWZGHWMOTQDTNT-UHFFFAOYSA-N 309.278 -0.838 50 20 DBGD O=C(CN1CSCC1=O)NNC(=O)c1ccc2c(c1)OCO2 8141214 KHFVFWOMMRZXQT-UHFFFAOYSA-N 323.330 -0.291 50 20 DBGD CCN(CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CC1 102065458 JIWASXNNINRLMT-CYBMUJFWSA-N 318.443 -0.148 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCNC(=O)c2ccco2)[nH]n1 153267171 BWUUPHXGKFVGKK-UHFFFAOYSA-N 305.294 -0.108 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)C2CCC2)C1=O 264751172 LEXBFGWEVGBGJD-AWEZNQCLSA-N 308.338 -0.346 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1O 266989115 GZUGLCJEMYWKKZ-MRVPVSSYSA-N 300.336 -0.166 50 20 DBGD NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 270189550 BWFYZWZQGNLMAA-SNVBAGLBSA-N 314.323 -0.262 50 20 DBGD CN(NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)C(N)=O 277024436 GAQVERZJLJQZQT-CQSZACIVSA-N 306.322 -0.565 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1cnnn1 298193499 KHWPTRCVGTZCDN-QMMMGPOBSA-N 308.273 -0.573 50 20 DBGD NC(=S)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 299460368 BQHRWSAIQIBVRV-UHFFFAOYSA-N 320.374 -0.296 50 20 DBGD CN(C)[C@@H](CNC(=O)c1cccc(B(O)O)c1)c1cnn(C)c1 584947746 AECATQCRESESSK-AWEZNQCLSA-N 316.170 -0.867 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCO[C@@H]1C 584983264 VJDPXCPFZYZHNZ-RISCZKNCSA-N 307.155 -0.368 50 20 DBGD CN1C[C@H]2CC[C@H](CC1=O)N2C(=O)c1ccc(B(O)O)c(F)c1 584996413 HAOADTNANMOUSA-GHMZBOCLSA-N 320.129 -0.659 50 20 DBGD OB(O)c1cccc(CNC2CCN([C@H]3CCOC3)CC2)c1 585050249 VADHBGVNWPOARV-INIZCTEOSA-N 304.199 -0.291 50 20 DBGD O=S(=O)(NCB(O)O)c1cc2c(cc1Cl)OCCO2 585055664 GQXKPEDWBOBXTP-UHFFFAOYSA-N 307.520 -0.599 50 20 DBGD O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)NCB(O)O)C1 585059793 ZLANNYFRHSXZSB-LLVKDONJSA-N 318.204 -0.901 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C[C@H](C)O)CC1 732201604 HQNUPTIDEDKYBC-QWHCGFSZSA-N 314.430 -0.433 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cc(F)ccc1C(=O)O 737349777 LEWLZMYOAMHXTQ-UHFFFAOYSA-N 305.287 -0.012 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2cnn(C)c2)CC1 746666889 CITNIXHVAKPYGB-NSHDSACASA-N 308.386 -0.512 50 20 DBGD CC1=C(C(=O)NNc2ccc(C(N)=O)nn2)C(=O)OC1(C)C 757406149 RIIUQJQKZZSMOW-UHFFFAOYSA-N 305.294 -0.330 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C 764213230 UXICJDSUPAXCGE-UHFFFAOYSA-N 307.354 -0.600 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 764299644 JOMRTTYKSYIFFP-UHFFFAOYSA-N 309.278 -0.810 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2c[nH]nc2C)nn1 772845879 WNMHSXOAVPZUGF-UHFFFAOYSA-N 305.298 -0.363 50 20 DBGD CN(NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(N)=O 778411480 FKANJCOZUHDMSL-ZDUSSCGKSA-N 305.294 -0.604 50 20 DBGD Cn1ccc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 782185882 UZQJZAUKMHSNHW-ZDUSSCGKSA-N 316.317 -0.050 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@H](N(C)C)C1 788427533 NXTXZITXDIROLZ-KOLCDFICSA-N 304.416 -0.100 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802096947 BEYGNZTYBNSPTH-ZDUSSCGKSA-N 311.294 -0.035 50 20 DBGD COc1cccc2c(C(=O)NNC(=O)C(=O)NC(C)C)n[nH]c12 813377064 AKGCMAHYQKALAR-UHFFFAOYSA-N 319.321 -0.143 50 20 DBGD CCN(CCO)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 823884644 CUZBZTMLMAJKEZ-LLVKDONJSA-N 307.416 -0.562 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1 826445087 GNYJWSQKSMSYHK-JTQLQIEISA-N 302.294 -0.193 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCOC1)[C@@H]1COc2ccccc2O1 840238921 JLORXMUNPNSCGM-FZMZJTMJSA-N 308.290 -0.875 50 20 DBGD CC(C)CC(=O)NNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 845414003 JIMKOCOYJHBXFI-VIFPVBQESA-N 306.388 -0.603 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CCNC1=O 854216642 BQFGGZPVHYNESF-RKDXNWHRSA-N 309.297 -0.124 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCCS1(=O)=O)C1CC1 855094723 FXONTUYMNZWJIG-APPZFPTMSA-N 305.425 -0.143 50 20 DBGD CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858698015 XDBCIOZUMQHAHH-MNOVXSKESA-N 312.370 -0.247 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C(N)=O 860580713 HZDSPYAESARUPL-JTQLQIEISA-N 319.321 -0.475 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccnc3ccnn23)CC1 861570843 NSULFRZVMSWBOM-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2c(F)cccc2F)N1 863413980 PCGGDJBNOJPAQS-QMMMGPOBSA-N 319.289 -0.447 50 20 DBGD O=S(=O)(CBr)N1CCC(CO)(CO)CC1 872541800 XVMPILKVYMEDSG-UHFFFAOYSA-N 302.190 -0.265 50 20 DBGD C[C@@H](C(=O)NNC(=O)C1CCOCC1)N1CCSCC1 883066678 GXSGZUPVOACNDY-JTQLQIEISA-N 301.412 -0.002 50 20 DBGD Cn1nccc1CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1254876875 MHEDEZTVTWFPNE-GFCCVEGCSA-N 315.399 -0.656 50 20 DBGD Cc1nc(C(=O)NNC(=O)C(=O)NC2CC2)c2ccccn12 1319053550 LPFNRFYYZWDHCX-UHFFFAOYSA-N 301.306 -0.318 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 1320218398 GQEGWVSDJURFHP-UHFFFAOYSA-N 308.250 -0.543 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 1327085229 RUTHXNGJENWUHW-UHFFFAOYSA-N 305.342 -0.829 50 20 DBGD NC1(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CCCC1 1328348403 AXWJKHWNCJNIFM-UHFFFAOYSA-N 320.353 -0.378 50 20 DBGD O=C(NN=c1cc[nH]cc1Cl)c1cnn(C[C@@H](O)CO)c1 1328351363 WDXWSKDPVDKUNK-SECBINFHSA-N 311.729 -0.537 50 20 DBGD CC(=O)Nc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1C 1330226543 MLZJNRKCOMLOTQ-NSHDSACASA-N 318.333 -0.007 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CCOCC1 1333154337 MGZUIDMAABRBBO-SNVBAGLBSA-N 312.370 -0.246 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CCNC2=O)CC1 1348898619 GBGQHUOOPVSZFY-GHMZBOCLSA-N 324.381 -0.246 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cc[nH]n1 1351063080 CSGNHHLEFHKTFJ-ZETCQYMHSA-N 318.380 -0.909 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)[C@@H](C)N 1575416417 YDIWPINPZQYPFC-MFKMUULPSA-N 321.381 -0.422 50 20 DBGD C[C@H](NC1CC1)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 1576800015 FMDDQHHCWRNRRA-UTUOFQBUSA-N 312.414 -0.226 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1c[nH]c(-c2nn[nH]n2)c1 1593157505 CJLDLFSERFQBTC-SECBINFHSA-N 305.298 -0.475 50 20 DBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccnn2)CO1 1595006833 VWRZENNJFXMROC-IUCAKERBSA-N 308.294 -0.493 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cncc(C(=O)O)c2)N1 1602637808 IAVSMGSMXKCIQL-MRVPVSSYSA-N 307.266 -0.789 50 20 DBGD CN(C)Cc1csc(CNC(=O)NNC(=O)C(=O)O)n1 1606037273 OJZFZVLEEDQIPN-UHFFFAOYSA-N 301.328 -0.880 50 20 DBGD CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 43469239 IOAJPJRFIRCHQK-UHFFFAOYSA-N 314.367 -0.099 50 20 DBGD CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NC)c1 49166014 MVGRUGOGCMGJMB-UHFFFAOYSA-N 300.340 -0.441 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)c3ccc[nH]3)nn2)COC1 184212888 SHEDEAIUAIREJV-UHFFFAOYSA-N 304.310 -0.283 50 20 DBGD C[C@@H]1C(=O)Nc2cc(C(=O)NNC(=O)CN(C)C)ccc2N1C 267526790 OKSDTDNUSMLQMX-SECBINFHSA-N 319.365 -0.214 50 20 DBGD COC(=O)NCC(=O)NNC(=O)CSc1ccccc1O 270695944 KWOPGHQMQHFZRP-UHFFFAOYSA-N 313.335 -0.012 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)ccc1F 273502686 PMCPCYSOLLIZHW-ZCFIWIBFSA-N 321.305 -0.337 50 20 DBGD CC[C@@H](CO)NC(=O)NNC(=O)CNC(=O)c1cccs1 276004702 SGZOOCVXWXBVAX-QMMMGPOBSA-N 314.367 -0.421 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)COCc1ccccc1 293050716 AYGGCXXJFCGMGE-UHFFFAOYSA-N 308.338 -0.330 50 20 DBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1nnc[nH]1)C2=O 294083514 ZDQSKWBYZAADPT-AMIZOPFISA-N 321.341 -0.252 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)CN1CCS(=O)(=O)CC1 490755352 ZCJBHTGROSEDNB-UHFFFAOYSA-N 307.372 -0.727 50 20 DBGD O=C(CCN1CCOC1=O)NN=c1nc(-c2cccnc2)[nH]o1 491329073 JGFNIJIUGPWBTN-UHFFFAOYSA-N 318.293 -0.161 50 20 DBGD CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584938358 YQWCZLOVOAGVTC-ZDUSSCGKSA-N 304.155 -0.503 50 20 DBGD CN(C(=O)c1ccc(B(O)O)cc1)C1CCS(=O)(=O)CC1 584954456 LCYBXIRBSNNKRE-UHFFFAOYSA-N 311.168 -0.984 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCSC[C@H]1CCO 584965772 SHBKCGJMPREVDX-SNVBAGLBSA-N 313.159 -0.555 50 20 DBGD CN(C)CCN1CCC(CNCc2ccc(B(O)O)cc2)CC1 585022004 HDVKIXHREULMSY-UHFFFAOYSA-N 319.258 -0.270 50 20 DBGD CNC(=O)C[C@H](NCc1ccc(B(O)O)o1)c1ccccc1 585039138 OBFGIIHXIGYPEI-ZDUSSCGKSA-N 302.139 -0.074 50 20 DBGD N#CCSCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737697093 CBZAYIDMIIDNKG-UHFFFAOYSA-N 317.334 -0.116 50 20 DBGD CS[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 745894486 FFMZQMZCDNSOKE-BDAKNGLRSA-N 300.384 -0.121 50 20 DBGD CS[C@@H]1CC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 745894487 FFMZQMZCDNSOKE-DTWKUNHWSA-N 300.384 -0.121 50 20 DBGD Cn1ccc(C=NNC(=O)C(=O)NN=Cc2ccn(C)c2)c1 749853121 CTKFLHKWPOOZML-UHFFFAOYSA-N 300.322 -0.036 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(=O)c1c(C)nn(C)c1C 771917892 VDDZBKRJKXIDRI-SECBINFHSA-N 324.337 -0.291 50 20 DBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNc1cccnn1 776935896 HIVVDNJDCSZJDH-GHMZBOCLSA-N 311.342 -0.077 50 20 DBGD CN(CCNC(=O)N(C)C)CC(=O)NNC(=O)C(C)(C)C 777715378 BKGRPWSOEWUIFA-UHFFFAOYSA-N 301.391 -0.617 50 20 DBGD Cc1cscc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783998554 BJOZTHSELIJBEM-UHFFFAOYSA-N 324.362 -0.235 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)NC2CC2)c(=O)c1 791127072 AUNWFUJERYTNGB-CQSZACIVSA-N 308.338 -0.599 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)cc1 801107405 VKSDAFQKKBNXRU-SNVBAGLBSA-N 318.333 -0.393 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](CN)C1CCCC1 841985130 JVJQUWUCLOUJHF-PWSUYJOCSA-N 316.402 -0.114 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1 843351704 XWIMWXLPGVTDAP-GFCCVEGCSA-N 321.337 -0.351 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1nnc2c1CCCC2 848236974 OWKVEYGOYJNCRI-VHSXEESVSA-N 307.354 -0.271 50 20 DBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)[C@H]1COc2ccccc2O1 854179902 HYYORTRAIRXDLH-GZMMTYOYSA-N 305.290 -0.748 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=S)N[C@@H](C)C1CC1 855103090 QLLWKUXMQLSYRA-QMMMGPOBSA-N 323.440 -0.659 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)n1 856422964 IZEPBUMKQJCUDC-SSDOTTSWSA-N 303.315 -0.338 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858296635 RPWUWPXEDGAATL-FBIMIBRVSA-N 309.370 -0.922 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1 862095939 RDPKCTIISJERNA-WCBMZHEXSA-N 310.310 -0.758 50 20 DBGD CCOC(=O)[C@H](F)C1CN(C(=O)c2cccc(B(O)O)c2)C1 863883683 JIJIRVXZDLCHDG-GFCCVEGCSA-N 309.102 -0.660 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cs1 864231438 MZVQYDSQRVDRRV-ZETCQYMHSA-N 319.169 -0.228 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)[C@@H]1CCCNC1=O 864465321 TXYJOEYYVQKQGT-SECBINFHSA-N 309.297 -0.122 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1C1CCCC1)c1cccnn1 882056913 IHYQTHCEPLQHHB-ZDUSSCGKSA-N 319.365 -0.119 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=S)NC(C)(C)C 899997546 XLMZAOOVEWJTMJ-SSDOTTSWSA-N 310.445 -0.392 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H]2CCCCN21)C(=O)N1CCCC1 900455051 QPSVOMOYKHSDBN-NWDGAFQWSA-N 308.382 -0.227 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 1116627126 LSWLCRRDMVAESH-UHFFFAOYSA-N 320.305 -0.312 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nc2ncc(C)cn2n1 1261600182 VUOXJGXDMLVFKO-MRVPVSSYSA-N 320.309 -0.465 50 20 DBGD Cn1cc(C(=O)C(=O)NNC(=O)CNc2ccccc2)cn1 1318316305 UCQJXMFIYBYMMD-UHFFFAOYSA-N 301.306 -0.138 50 20 DBGD Cc1nnc(NNC(=O)CC2(CS(C)(=O)=O)CC2)nc1O 1319017023 KUHBHQNCMRWDBV-UHFFFAOYSA-N 315.355 -0.456 50 20 DBGD CCn1cc(NC(=S)NNC(=O)NCC(=O)OC)cn1 1320192395 QTOPGDLRGYORDF-UHFFFAOYSA-N 300.344 -0.423 50 20 DBGD CC1(C)C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1320414061 ZFLVPHDPNJHPCJ-JTQLQIEISA-N 312.370 -0.103 50 20 DBGD CN1N=C(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CCC1=O 1321442668 BCHPHVYEZPRUCT-VIFPVBQESA-N 316.383 -0.913 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCC2)cn1 1325996385 PUXRLYJXVIJOTK-UHFFFAOYSA-N 300.340 -0.852 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1nncc(N)c1Cl 1340554824 MARDFJMIRMAXCR-SCSAIBSYSA-N 308.751 -0.907 50 20 DBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)COCCOC)C1 1352010935 RYWZWMGXIZDYAB-SNVBAGLBSA-N 301.343 -0.945 50 20 DBGD O=C(CCCc1cnn[nH]1)NNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1577866495 STEKDVPADWQVKC-GDPRMGEGSA-N 305.338 -0.110 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)c2cn(CCN)nn2)c1 1578426884 IOSPSEISXXIHMB-UHFFFAOYSA-N 317.353 -0.622 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H](F)[C@H]1CCNC1 1580576721 WLBDNPQJONEAMI-HZMBPMFUSA-N 319.340 -0.028 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 1590338480 RRCICXCFFJSCIA-CBAPKCEASA-N 319.325 -0.609 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)oc1C(=O)O 1607706871 JLRBGHROGMUYBK-SSDOTTSWSA-N 318.307 -0.225 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C1(C(=O)O)CC1 1608369406 XIDGBRNHDHFBNR-UHFFFAOYSA-N 302.290 -0.111 50 20 DBGD CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1795145295 HHXQDAROKGLCIA-NOHGZBONSA-N 318.801 -0.024 50 20 DBGD O=C(C1CC(O)C1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841348463 SIYNCIWWWDFTLG-ILDUYXDCSA-N 316.785 -0.440 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 267529290 YTFSJCWQSZLUSK-MRVPVSSYSA-N 306.326 -0.125 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CC1=O 267531130 ZTRLWEUWNDWJGD-LLVKDONJSA-N 319.365 -0.073 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccccc1OC 267689159 YDDXPHZPMWENEF-UHFFFAOYSA-N 301.324 -0.995 50 20 DBGD CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1cnn(C)c1 270456686 PRXRIYJLGPSQBV-VIFPVBQESA-N 311.342 -0.047 50 20 DBGD CN(CC(=O)NNc1cnc2ccccc2n1)S(C)(=O)=O 274202330 NILRZDDNTPWMAK-UHFFFAOYSA-N 309.351 -0.036 50 20 DBGD C[C@H]1Oc2ccccc2N(CCC(=O)NNC(=O)CO)C1=O 367732288 VENOMEFPLHOHEN-SECBINFHSA-N 307.306 -0.670 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](n2cncn2)C1 584942747 VWDHVLKAPKHBQH-NSHDSACASA-N 318.117 -0.426 50 20 DBGD CNC(=O)CC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584955699 SWQYKJNNKSMGRF-UHFFFAOYSA-N 304.155 -0.645 50 20 DBGD O=C(NC[C@H](O)CN1CCCCC1)c1ccc(B(O)O)c(F)c1 584965387 RCCBOJJFQYGVIV-LBPRGKRZSA-N 324.161 -0.918 50 20 DBGD OB(O)c1ccccc1CNC1CCN(c2cccnn2)CC1 585037877 MLQVWMJWEIXWQY-UHFFFAOYSA-N 312.182 -0.085 50 20 DBGD OB(O)c1cccc(CNC2CCN([C@@H]3CCOC3)CC2)c1 585050250 VADHBGVNWPOARV-MRXNPFEDSA-N 304.199 -0.291 50 20 DBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@H](B(O)O)C1 585063847 ILFIJZPSVAAAPW-YUMQZZPRSA-N 310.081 -0.235 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)c(O)c1 728437936 YLFSYXCBGBBHMM-ZETCQYMHSA-N 301.324 -0.514 50 20 DBGD Cn1cc(C=NNC(=O)c2cccc(C#N)c2)c(=O)n(C)c1=O 728781467 MWCHYNQJOBSIIH-UHFFFAOYSA-N 311.301 -0.280 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H](C)N2C(=O)CCC2=O)n1 746623920 PFQYGOKQJAEKSL-QMMMGPOBSA-N 307.310 -0.226 50 20 DBGD CC(C)CO[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758027993 BDRIFIXCFFEYDF-RKDXNWHRSA-N 309.388 -0.867 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)CNC(=O)c1cccnc1 763204412 NTAAMHLIPIBUSY-UHFFFAOYSA-N 312.351 -0.652 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccnn1CCC(C)C 764304308 XWXZIMIWGXUFRS-UHFFFAOYSA-N 311.342 -0.339 50 20 DBGD CNC(=O)CCCC(=O)NNC(=O)Cc1cn2ccccc2n1 780849402 YONOTTNKFFWAKC-UHFFFAOYSA-N 317.349 -0.060 50 20 DBGD CN(C)CCOCCNC(=O)NNC(=O)Cc1ccncc1 788013351 JLXSCMDUELAUAI-UHFFFAOYSA-N 309.370 -0.467 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N=c2cc[nH]cc2)c(=O)n1 802029260 KIIWNEUVRRRQSJ-UHFFFAOYSA-N 316.321 -0.470 50 20 DBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(C)=O)cn1C 808068248 PQZJWQKKHALUIA-UHFFFAOYSA-N 317.323 -0.900 50 20 DBGD COc1ccccc1CC(=O)NN=C1C(=O)NC(=O)NC1=O 814220416 WYCKCTQZWSYVKR-UHFFFAOYSA-N 304.262 -0.924 50 20 DBGD COC(=O)CSCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825943152 ZKQPKHRULMQWCP-BDAKNGLRSA-N 319.383 -0.352 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1C(=O)O 833054183 RHJQTHPJDKVRGZ-UHFFFAOYSA-N 312.307 -0.325 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)nn12 843642428 WNMIDTZKPJHGEY-RKDXNWHRSA-N 304.310 -0.381 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843775198 QUMRKXOMZXYTKV-NSHDSACASA-N 312.370 -0.246 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)C(C)(C)C 852083903 NZMKOXOKYYGSSQ-SFYZADRCSA-N 307.372 -0.825 50 20 DBGD N#Cc1cccc(NNC(=O)C2=NN(CCO)C(=O)CC2)c1 855621019 FPKRRFNCFOMYAU-UHFFFAOYSA-N 301.306 -0.028 50 20 DBGD Cc1cccc(O)c1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 858173679 FLZPPNMQRHTFGY-SECBINFHSA-N 312.347 -0.104 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(N2CCOCC2)CC1 859354753 ALHOXSSMWPLPHI-LBPRGKRZSA-N 312.414 -0.271 50 20 DBGD COCCOc1cncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862463047 XFHGWZCXBVKETP-LLVKDONJSA-N 322.321 -0.854 50 20 DBGD O=C(NNC(=O)C1=CCCCO1)N[C@H]1CCS(=O)(=O)C1 1116181541 ZOKQSLJBNKFDAI-QMMMGPOBSA-N 303.340 -0.802 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1117763256 CNXROCDVVJAKBR-WDEREUQCSA-N 323.374 -0.307 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 1261211585 BDWHBGOQCGDSJL-PRHODGIISA-N 304.368 -0.616 50 20 DBGD O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 1261829928 FPIKJYHNKMIJRO-MNOVXSKESA-N 317.301 -0.286 50 20 DBGD O=C(NNC(=O)c1ccnc(-n2cccn2)c1)C(=O)NC1CC1 1318647784 UIGOGBIAPDERNT-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1cccc1 1320264235 URUAOTVZCGIRON-BDAKNGLRSA-N 302.356 -0.866 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F 1320599621 GNYGGKUZEWTTCT-UHFFFAOYSA-N 319.195 -0.637 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc2ccn(C)c12 1338829836 SOHQLAXFOPJDRK-UHFFFAOYSA-N 318.289 -0.563 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1C 1339482679 QTYBPXXUURGVQH-UHFFFAOYSA-N 314.685 -0.698 50 20 DBGD CCn1nc(C(=O)NNc2ncnc3[nH]cnc23)ccc1=O 1339603246 CNEQHPPJHMGWKG-UHFFFAOYSA-N 300.282 -0.314 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccn2nnnc2c1 1350781037 ZMQUFCDYDYAJBR-UHFFFAOYSA-N 319.325 -0.810 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CNCCCO2)n1 1579585246 YEDBFWXXHGRPNS-GFCCVEGCSA-N 324.385 -0.791 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C 1590365323 CUOWAOZLMOBUKW-UHFFFAOYSA-N 317.309 -0.329 50 20 DBGD COc1ccc(O[C@@H](C)CNC(=O)NNC(=O)C(=O)O)cc1 1607281456 SKOWTOLQINYUMC-QMMMGPOBSA-N 311.294 -0.123 50 20 DBGD O=C(CNC(=O)NNC(=O)C(=O)O)Nc1ccc(Cl)cc1 1610664719 BFZNLZLGFWOVJI-UHFFFAOYSA-N 314.685 -0.307 50 20 DBGD O=C(CN1CCn2cnnc2C1)NNC(=O)c1ccccc1 105877393 VYHISFRRJWITCW-UHFFFAOYSA-N 300.322 -0.445 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)NCCn2cncn2)c1 263852318 SPBOUIHDROSBFY-UHFFFAOYSA-N 318.337 -0.004 50 20 DBGD Cc1ccc(NNC(=O)NCCC(=O)N2CCOCC2)nn1 264423639 XMWMYKLJWRUIEJ-UHFFFAOYSA-N 308.342 -0.340 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 299012955 OAHPBHZOBHVDRX-SNVBAGLBSA-N 312.370 -0.551 50 20 DBGD C[C@H](O)C[C@@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584973492 AGDQBVXOCCZRFY-GXSJLCMTSA-N 311.118 -0.883 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)N1CCN(C)CC1 728977656 WCIMLGGEADYVAK-LBPRGKRZSA-N 315.377 -0.045 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 731879561 NDQVDIQIZIBVEN-TVQRCGJNSA-N 323.378 -0.067 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCS(=O)(=O)NC(C)C 746972961 PDZUDBMYFPQAMU-UHFFFAOYSA-N 308.404 -0.309 50 20 DBGD COC[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CC1 750442627 ILYPKPUBSDGOIG-CMPLNLGQSA-N 305.400 -0.208 50 20 DBGD COC(=O)[C@@H]1COCCN1[C@H](C)C(=O)NNC(=O)CC(C)C 752311927 UPRVTQXAILBGQZ-MNOVXSKESA-N 315.370 -0.558 50 20 DBGD O=C(CO)NNC(=O)C[C@H](c1ccccc1)N1CCOC1=O 753440662 WUQFCJQSILTFIN-LLVKDONJSA-N 307.306 -0.290 50 20 DBGD Cn1c(=O)oc2cc(C=NNC(=O)C(=O)NC3CC3)ccc21 754916344 CPKSLDJOHOKRAY-UHFFFAOYSA-N 302.290 -0.140 50 20 DBGD NC(=O)c1cccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 755664455 LPDBHYHRNWNIPQ-NSHDSACASA-N 324.362 -0.394 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 762866597 PXXXFMFMGZWRDD-SNVBAGLBSA-N 322.369 -0.329 50 20 DBGD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NNC(=O)CO 764429771 YIGVGQNKNIBEIA-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 775459911 PMQAGZUQCGZSGF-MNOVXSKESA-N 312.370 -0.246 50 20 DBGD COc1nc(C)c(Br)cc1C(=O)NNC(=O)CO 777177892 LBYZKDKZVJXPAL-UHFFFAOYSA-N 318.127 -0.086 50 20 DBGD Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)CO)no1 777781515 XRFCCPDBHXAMAE-ZETCQYMHSA-N 316.339 -0.817 50 20 DBGD NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 804030523 SCVHPGYOVIMOEE-UHFFFAOYSA-N 312.351 -0.216 50 20 DBGD CC1=C(C(=O)NNC(=O)N2CCN(C)CC2)C(=O)OC1(C)C 807383510 YDTKWXIXXXJJQG-UHFFFAOYSA-N 310.354 -0.374 50 20 DBGD Cn1nncc1NNC(=O)CCNS(=O)(=O)c1ccccc1 816769583 OLAAZPJKMOKLDP-UHFFFAOYSA-N 324.366 -0.373 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2ccccc2[N+](=O)[O-])CC1 816917826 CXXHOJQJSBCBIQ-UHFFFAOYSA-N 300.296 -0.141 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1cccc(C#N)c1 821141507 QLJZXZBTCBMJDN-NWDGAFQWSA-N 324.362 -0.004 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)N1CCOCC1)C(C)(C)C 822854453 MYTLXZDFOZYVMI-SNVBAGLBSA-N 300.359 -0.390 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1nc2ccccn2n1 834350913 GWJFEEFPEKMFGH-QMMMGPOBSA-N 312.355 -0.500 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 854388768 XJMVZDSWTFKVRF-DTWKUNHWSA-N 301.343 -0.566 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(CF)cc1 857116621 KSVULUJRZHGAPZ-QMMMGPOBSA-N 317.342 -0.145 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc3c2OCO3)N1 860905463 OHRYKNCIOOLKHZ-QMMMGPOBSA-N 306.278 -0.153 50 20 DBGD C/C=C/C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OCC 863879671 XTWVPLVJOZAZEQ-LQPUYASZSA-N 305.139 -0.006 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@H](CO)C1 879002336 HRFAROPREOSUMB-ZDUSSCGKSA-N 324.356 -0.805 50 20 DBGD Cc1cn(C(C)(C)C(=O)NNC(=O)CN2CCCC2=O)cn1 913734476 RJUCQLNWXZKYGX-UHFFFAOYSA-N 307.354 -0.304 50 20 DBGD Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NNC(=O)CO 1116574229 YAHKNUMVBDFFDF-UHFFFAOYSA-N 308.260 -0.256 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CN1CCC(C)CC1 1118555226 ADTAKMJYIFZVRF-SNVBAGLBSA-N 300.359 -0.390 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(N2CCCC2)nc1 1318189213 RBTGWSMNXVIHQZ-UHFFFAOYSA-N 319.365 -0.033 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)Cn1ncn2nccc2c1=O 1318426786 GWNKDEMMVYSYKJ-UHFFFAOYSA-N 308.298 -0.553 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 1320231804 IWYVTEMYZBQQCK-UHFFFAOYSA-N 318.333 -0.189 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(C(=O)OC)cn1 1320499435 FSXIBRGIDNWTFA-ZETCQYMHSA-N 324.293 -0.634 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)cn1 1321920963 PUQABGIQBAZMIA-VXGBXAGGSA-N 306.370 -0.009 50 20 DBGD CN(C)N(C(=O)[C@H]1CCCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1324127694 GGYOSSWSEQTKSJ-NXEZZACHSA-N 303.384 -0.853 50 20 DBGD Cn1nncc1NNC(=O)c1ccc(NS(C)(=O)=O)cc1 1324336320 YENWAUDNUHASRR-UHFFFAOYSA-N 310.339 -0.057 50 20 DBGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNc2ncccn2)C1 1324382109 ZCMRPJNTJHAFMN-VIFPVBQESA-N 314.371 -0.616 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC(c3ncc[nH]3)CC2)N1 1331531197 HLSZSPTYKTXAKK-JTQLQIEISA-N 320.353 -0.392 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2CCNCC2)C[C@@H]1Br 1334722224 XGVFNGPTJQQFQB-KWQFWETISA-N 304.188 -0.292 50 20 DBGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(C)=O)c1 1342590320 HAURKVDLNSOCDJ-UHFFFAOYSA-N 306.322 -0.149 50 20 DBGD N#CC1=CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 1433869951 CKLBZDSXESFCKQ-JTQLQIEISA-N 302.294 -0.318 50 20 DBGD CN(C)N(C(=O)c1ccc(C(=O)O)[nH]1)[C@H]1CCS(=O)(=O)C1 1574550254 QUZZNUDSXHCABG-QMMMGPOBSA-N 315.351 -0.181 50 20 DBGD CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)CN)c1 1574970421 VPPDGGVLXONFSZ-UHFFFAOYSA-N 309.347 -0.797 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2cccc(C(=O)O)c2)nn1 1599008516 NCPNBFWILMYWMS-UHFFFAOYSA-N 319.277 -0.094 50 20 DBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)c2cn(C)nn2)c1 1600108631 MNTQKZFZVULFFD-UHFFFAOYSA-N 303.278 -0.103 50 20 DBGD Cn1cnn(CCC(=O)NNc2cccc(C(=O)O)c2F)c1=O 1600994687 QPFVPYDJKAMADM-UHFFFAOYSA-N 323.284 -0.048 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 1602805171 PKMAELLTWQVRIA-VIFPVBQESA-N 323.305 -0.219 50 20 DBGD Cn1cnn(CCC(=O)NNc2ccc(C(=O)O)c(F)c2)c1=O 1608137318 GMQMVYXBKHFKME-UHFFFAOYSA-N 323.284 -0.048 50 20 DBGD COCCc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)O 1610267337 PHYXDYKMTFEZDP-UHFFFAOYSA-N 309.278 -0.954 50 20 DBGD C[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793116704 RENXUXUEBRNXID-HHKYUTTNSA-N 304.774 -0.395 50 20 DBGD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016084 QTAABCAFFVLRCZ-SRSLHRDFSA-N 310.181 -0.662 50 20 DBGD C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)C(O)O)C2 1844376954 DRXPLIGHPCMTAN-UHFFFAOYSA-N 316.430 -0.648 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CC2CC2)cs1 294148009 MEUSLJSTGHXHFT-UHFFFAOYSA-N 303.365 -0.043 50 20 DBGD C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@@H](B(O)O)C1 585073971 GXJUDVRUALEEQN-VXGBXAGGSA-N 320.154 -0.355 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ncccc1O 725902022 FJXKULTXRHOCPB-UHFFFAOYSA-N 304.262 -0.429 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)c1cccn1C 743746561 RGUDEFDXRMDJAZ-UHFFFAOYSA-N 306.282 -0.101 50 20 DBGD COC(=O)CN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 757081756 PLSNLYLVDITGMK-UHFFFAOYSA-N 304.306 -0.576 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)nn1 757407312 HVHSMQOOGQLTPV-ZETCQYMHSA-N 304.310 -0.971 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 764300850 YUBOBZRYTVXSID-UHFFFAOYSA-N 304.306 -0.089 50 20 DBGD COCc1c(C(=O)NNC(=O)CO)cnn1-c1ccccc1 768729799 MIUKTPCQLIOFBU-UHFFFAOYSA-N 304.306 -0.228 50 20 DBGD CN1CC[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1=O 776173596 ZCDQSLMTSFBTHY-SNVBAGLBSA-N 320.353 -0.765 50 20 DBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)NCC(=O)OC 779721316 NXHULTNVPOBBLY-VIFPVBQESA-N 317.415 -0.678 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H](CC(=O)O)[C@@H]1C 814835510 SLLCVSZODOJPAA-XHNCKOQMSA-N 319.383 -0.083 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)Cn1nc(C)cc1C 827913591 CMUWMDGBNWLFMW-GHMZBOCLSA-N 311.342 -0.756 50 20 DBGD CCOC(=O)[C@@H](CC)C(=O)NNC(=O)N1CCN(C)CC1 839734977 SMBQXGNSGLQXEN-JTQLQIEISA-N 300.359 -0.436 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC(C)(C)O1 858699316 OBYJHGCSNMPMKI-VIFPVBQESA-N 312.370 -0.105 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCc3c(O)cccc3C2)N1 858701505 LIYQTJRKTFUTLR-NSHDSACASA-N 318.333 -0.230 50 20 DBGD Cc1nc2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc2n1C 862460065 ZETZFMJBSUKXCE-LLVKDONJSA-N 315.333 -0.079 50 20 DBGD CC(C)Oc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccn1 863462206 LAORFMZJNOJTFU-UHFFFAOYSA-N 315.351 -0.326 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H](O)CCc1ccccc1 863464899 XDCAFJGLANDDQI-NSHDSACASA-N 314.363 -0.828 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)c2ccc(=O)n(C)n2)cc1 901377625 QRXHASKSVOETHM-UHFFFAOYSA-N 316.317 -0.071 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2cccnn12 913732486 YIEBTEKWQKNXOY-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N[C@H](CO)C1CCOCC1 1116894471 KNKXMDWRKPWAIW-CYBMUJFWSA-N 322.365 -0.258 50 20 DBGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2cnnn2C)c1 1117634797 BCIQYICEZMBPHP-UHFFFAOYSA-N 318.293 -0.317 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1118887428 SCFIJKSORFHTRN-MDZDMXLPSA-N 318.337 -0.016 50 20 DBGD CC(C)Oc1ncccc1NC(=O)C(=O)NNC(=O)CCO 1254904862 HADNGRCSIQFMOG-UHFFFAOYSA-N 310.310 -0.663 50 20 DBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc2o1 1254905764 UXEFYDYRCGEWCE-UHFFFAOYSA-N 306.278 -0.395 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCc2nnc(C)n2C1 1255117511 DHCULLYCWZIEJK-WPRPVWTQSA-N 323.353 -0.362 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1nc2ncccn2n1 1261497963 PQOBMCHXAMQFTD-BDAKNGLRSA-N 304.310 -0.761 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cn(C)nc1-c1ccoc1 1321008425 VREGGTDGFOWWSR-UHFFFAOYSA-N 319.321 -0.034 50 20 DBGD Cn1cnc(C(=O)OCC(=O)NNC(=O)c2cccs2)n1 1323966426 BWWGGOOVJFRGQK-UHFFFAOYSA-N 309.307 -0.505 50 20 DBGD COc1ncc(/C=C/C(=O)NNC(=O)C(=O)NC(C)C)cn1 1324149967 GOLWKHKMNRDLHL-SNAWJCMRSA-N 307.310 -0.830 50 20 DBGD COCCC[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1337363222 DKMZNKHCUNARFI-ZJUUUORDSA-N 306.384 -0.369 50 20 DBGD C#CC[C@@]1(C(=O)NNC(=S)NCCSC)CCCN1 1574525147 DHSLMSSYAIQHRT-LBPRGKRZSA-N 300.453 -0.010 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc(F)cc(C(=O)O)c1F 1589150127 KIPBBCFXGHSYGY-UHFFFAOYSA-N 301.205 -0.231 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)c(F)cc1F 1598884459 ZZKMXXNYBPEDFC-UHFFFAOYSA-N 317.204 -0.011 50 20 DBGD COCCN(C)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1599231972 JBGPWRAZUIOJMH-VIFPVBQESA-N 319.358 -0.036 50 20 DBGD COc1cccc(OCCCNC(=O)NNC(=O)C(=O)O)c1 1599682697 VNPLJATUSCLJJE-UHFFFAOYSA-N 311.294 -0.121 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](O)[C@H]2C(=O)O)cn1 1600946001 KBYKQLIZAKVLSH-OUONCDGISA-N 304.306 -0.236 50 20 DBGD O=[N+]([O-])c1ccc(N2CC[C@@H](B(O)O)C2)cc1-c1nn[nH]n1 1607081139 DLOUHZCJFNFICE-SSDOTTSWSA-N 304.075 -0.172 50 20 DBGD NC(=O)NCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1 1846389364 GNTXCTBEYUUALP-UHFFFAOYSA-N 323.180 -0.338 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)Cc1ccc(F)cc1 76176140 REGIDIRZGMIYLM-UHFFFAOYSA-N 302.327 -0.050 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCOc1cccc(C=O)c1 264577535 HQNOQCGODPMLNI-UHFFFAOYSA-N 321.333 -0.060 50 20 DBGD O=C(CN1CCOC[C@@]12CCOC2)NNC(=O)c1ccccc1 282318919 KYLJZSCTKZPMFH-INIZCTEOSA-N 319.361 -0.061 50 20 DBGD COC(=O)N(C)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 496668974 UPYXYXXYDNXOTJ-UHFFFAOYSA-N 307.266 -0.623 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1=O 584946981 CRQQIKMWGUETDJ-GFCCVEGCSA-N 308.118 -0.755 50 20 DBGD CCO[C@@H](CCN(C)C)CNC(=O)c1ccc(B(O)O)cc1 584958088 PAJCDLQMRGTLSM-AWEZNQCLSA-N 308.187 -0.547 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCO[C@H]1C 584983262 VJDPXCPFZYZHNZ-FZMZJTMJSA-N 307.155 -0.368 50 20 DBGD CO[C@H]1COCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 584998197 NWPOMRVNSILMTH-RNCFNFMXSA-N 311.118 -0.713 50 20 DBGD CN(C)C(=O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585002202 PXHUDZLHDHWEOJ-SNVBAGLBSA-N 308.118 -0.944 50 20 DBGD CN1C(=O)c2cccc3c(S(=O)(=O)NCB(O)O)ccc1c23 585055993 MOAKMPLWOFDOAX-UHFFFAOYSA-N 320.135 -0.280 50 20 DBGD CC(C)NC(=O)CCCC(=O)NNC(=O)C(=O)NC(C)C 732751085 KAAQKLSPABRBSS-UHFFFAOYSA-N 300.359 -0.647 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)COc1ccc(C#N)cc1 754972844 CSFSHTRJKLDWOX-AWEZNQCLSA-N 307.306 -0.518 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cnn(CC(=O)N(C)C)c1 756802661 UDESYQZZBXMONI-UHFFFAOYSA-N 312.330 -0.840 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)[nH]1 764687740 JGEPBOFQAJXSGI-UHFFFAOYSA-N 312.289 -0.528 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)N2CCN(C)CC2)cc1 773658557 NLUZPZDRRSGVBG-UHFFFAOYSA-N 319.365 -0.078 50 20 DBGD CC(CCn1cccn1)=NNC(=O)[C@H](C)NS(C)(=O)=O 776768165 DCXUJRREJDXFGQ-JTQLQIEISA-N 301.372 -0.297 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCC(=O)c1cnn(C)c1 793454975 CQMMNUAOCDKNMS-UHFFFAOYSA-N 304.310 -0.124 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCCCN1C(C)=O 795587623 JQLMJECMYMDEAQ-LLVKDONJSA-N 300.359 -0.246 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 798315546 KLEIGEYZQLOFTM-ZCFIWIBFSA-N 308.260 -0.110 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)NCCc1cccs1 814626930 SUTQSNQVTMXMLE-UHFFFAOYSA-N 313.383 -0.060 50 20 DBGD COc1nccnc1NNC(=O)CCCCCS(N)(=O)=O 816971286 YPOZYUUOZSHDLL-UHFFFAOYSA-N 317.371 -0.223 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)CCC(=O)O)n1 818976736 GNMGFDBLAGQTML-UHFFFAOYSA-N 314.367 -0.452 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(C)(C)COC)CC1 823456070 OSAKVDOPSAOLAD-LBPRGKRZSA-N 314.430 -0.025 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)c2cnn(C)c2)n1 847507197 QBHSSXRTFKKBLI-UHFFFAOYSA-N 305.342 -0.747 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)C(C)(C)C 852083902 NZMKOXOKYYGSSQ-JGVFFNPUSA-N 307.372 -0.825 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNc1ncc(Cl)cn1 856907424 WGTYFOXHDCGRCC-UHFFFAOYSA-N 322.778 -0.353 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)c1cccc(C#N)c1 858189083 ZWANMEOTFNYPHW-UHFFFAOYSA-N 320.305 -0.308 50 20 DBGD COC(=O)[C@H](C)CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 863871923 GRPWXHNDGRJQCO-SECBINFHSA-N 323.129 -0.081 50 20 DBGD C[C@H](O)CN(C)NC(=O)CCCS(=O)(=O)N1CCCC1 910171638 ZAKQOXOQOLQSPD-NSHDSACASA-N 307.416 -0.464 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CNC(=O)NCc1ccco1 917937692 ANIBEJKKTAJWHD-UHFFFAOYSA-N 319.321 -0.122 50 20 DBGD NC(=O)CSc1ccccc1C(=O)N1CC[C@H](B(O)O)C1 1118915639 IRIJIEPGTOWGBS-VIFPVBQESA-N 308.168 -0.047 50 20 DBGD O=C1C[C@H](C(F)(F)F)[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CN1 1119606298 DIGOWHQZPKMYRP-PRJMDXOYSA-N 308.065 -0.624 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1nnc2n1CCCCC2 1252438064 JVUCCWNMSRFYMC-UHFFFAOYSA-N 324.341 -0.950 50 20 DBGD CN(C)N(C(=O)[C@@H]1C[C@]12CCOC2)[C@@H]1CCS(=O)(=O)C1 1254882903 RUZGJPDUXSKXNY-MDZLAQPJSA-N 302.396 -0.095 50 20 DBGD Cc1cnccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1261253626 JNXKPFVHGLXCMA-SECBINFHSA-N 312.351 -0.479 50 20 DBGD CNC(=S)N(C)NC(=O)c1cnn(-c2ccc(O)nn2)c1C 1261744804 QDJXUKAOUGOFLF-UHFFFAOYSA-N 321.366 -0.243 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 1319260915 NAYWKXGFZZYETR-JTQLQIEISA-N 315.443 -0.700 50 20 DBGD C[C@]1(NNC(=O)NCCc2cnccn2)CCS(=O)(=O)C1 1319813622 ZYZXWLKAXMOXHZ-LBPRGKRZSA-N 313.383 -0.600 50 20 DBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)OC)c1C 1323968399 RHJFBUAZPVZCAI-UHFFFAOYSA-N 308.294 -0.320 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCNc1ccc(C)cn1 1324101568 AQQVGKBQFNFDDH-UHFFFAOYSA-N 309.326 -0.305 50 20 DBGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)N1CCOCC1 1324273318 UCOMLYOPHURVDE-SNVBAGLBSA-N 319.383 -0.726 50 20 DBGD NS(=O)(=O)c1ccc2c(c1)C(=NNC(=O)CCO)CCC2 1325940209 FQUCWXVIQHYQCR-UHFFFAOYSA-N 311.363 -0.127 50 20 DBGD CN[C@@H](C(=O)NNc1nncc(N)c1Cl)c1cnn(C)c1 1328522387 LQKFAVSPWOGANA-SECBINFHSA-N 310.749 -0.151 50 20 DBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1329572208 XFMKHELUSVTJMS-QMMMGPOBSA-N 315.355 -0.948 50 20 DBGD Cc1noc(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1349151791 CBWXPUAZJPERSM-APPZFPTMSA-N 310.310 -0.198 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1coc(/C=C/C(=O)O)c1 1594163906 NIJNMGBJIHYNLC-NSCUHMNNSA-N 316.291 -0.817 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)CN2CCCC2=O)c(C)c1C(=O)O 1599952931 ACEKUEGWBAVAAH-UHFFFAOYSA-N 322.321 -0.287 50 20 DBGD C[C@@H](CO)N(C)NC(=O)COc1ccccc1-c1nn[nH]n1 1603566168 GYZXVQUPYLENTG-VIFPVBQESA-N 306.326 -0.411 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1 25147065 RCADOKYVJVPYJM-UHFFFAOYSA-N 322.302 -0.202 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)NCCNC(C)=O)cc1 43141179 QUGFHXRJVVPURC-UHFFFAOYSA-N 324.337 -0.460 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)cc1 49165713 ZOZZBJHLALXAFQ-UHFFFAOYSA-N 300.340 -0.441 50 20 DBGD O=C(CN1CCC[C@@H](Cn2ccnn2)C1)NNC(=O)C1CC1 119316198 QJCJLGSIFKLYLN-LLVKDONJSA-N 306.370 -0.453 50 20 DBGD O=C(Cc1ccsc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 126046170 YMVMPSVVJZNHHB-SECBINFHSA-N 317.392 -0.192 50 20 DBGD COc1cc(F)cc(NNC(=O)Cn2ccc(=O)n(C)c2=O)c1 157510782 GVMATMWOILVBEZ-UHFFFAOYSA-N 322.296 -0.162 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C[C@H]1COC(=O)C1 269027695 RATQQZQRVPCHNE-SECBINFHSA-N 308.290 -0.128 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccccc1C 272397131 DQJBNNUEQXGPFP-UHFFFAOYSA-N 301.324 -0.339 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 278509771 AUHVQAJPHXVNET-UHFFFAOYSA-N 323.309 -0.098 50 20 DBGD COC(=O)N(C)NS(=O)(=O)N1CCC2(CC1)OCCO2 495888283 AGXNOWNTEAUKHW-UHFFFAOYSA-N 309.344 -0.727 50 20 DBGD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(B(O)O)ccc1F 584972188 PKBYPZROAHRROQ-SECBINFHSA-N 320.129 -0.754 50 20 DBGD Cn1nc(NC(=O)c2cc(B(O)O)ccc2F)cc1C1CC1 584991223 CAQSAGKZEYBUCH-UHFFFAOYSA-N 303.102 0.369 50 20 DBGD CCN1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CC1=O 585054539 XDWDOIJIIPTQOE-SNVBAGLBSA-N 301.111 -0.248 50 20 DBGD CO[C@@H](C)C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 728732812 NPCLXPJPUILCQW-QMMMGPOBSA-N 315.351 -0.280 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746092675 BPNBMDWSHIHQSF-WJOQGRNVSA-N 321.333 -0.905 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H](C)N1CCSCC1 750856346 IYCVBTFLFNQFKV-JTQLQIEISA-N 304.416 -0.209 50 20 DBGD CNC(=O)NNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C 751698101 MCMZAMTXMDOKSO-UHFFFAOYSA-N 300.340 -0.475 50 20 DBGD CN(C)c1nccc(NNC(=O)c2cnc3c(c2)nnn3C)n1 758230546 KFDTVBLOEWJHOX-UHFFFAOYSA-N 313.325 -0.024 50 20 DBGD C[C@H]1C[C@H]1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 758372729 AGQNZDLKAWIGCH-YUMQZZPRSA-N 311.367 -0.671 50 20 DBGD CN1CCCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 758839963 ICKFQMSTCSZMIP-JTQLQIEISA-N 305.338 -0.348 50 20 DBGD CCOC(=O)c1nn(C)cc1C=NNC(=O)NCC(=O)OC 769799685 ZGCASJCEBGJYQP-UHFFFAOYSA-N 311.298 -0.597 50 20 DBGD COC(=O)N(C)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772022930 YAQMOHPNJVTXRG-VIFPVBQESA-N 317.342 -0.190 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(=O)c1cnn(CC)c1 772221791 UKDIRMGVCFIWBK-MRVPVSSYSA-N 310.310 -0.425 50 20 DBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)C(=O)NC1CC1 774590228 TUPDHOPNGBDZKU-SECBINFHSA-N 306.322 -0.049 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 798315545 KLEIGEYZQLOFTM-LURJTMIESA-N 308.260 -0.110 50 20 DBGD COc1cc(C(C)=NNC(=O)[C@@H]2CCS(=O)(=O)C2)on1 814781389 HYVNBRGUWQNPLM-MRVPVSSYSA-N 301.324 -0.042 50 20 DBGD COC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(C)C 843654139 ZJTKOQBXBQEGLC-GUBZILKMSA-N 301.343 -0.061 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)NCC(=O)NCC#N)cc1 845194486 ZLLODYJWRUIAOH-UHFFFAOYSA-N 319.321 -0.332 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 846275581 JDQSVCODYXOQFJ-GUBZILKMSA-N 308.342 -0.802 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)N2CCN(C)CC2)cn1 854378939 ISPFNGGQSDHSOX-ARJAWSKDSA-N 320.353 -0.513 50 20 DBGD COc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858087363 NHGKJMNAUGDEHI-LBPRGKRZSA-N 320.349 -0.153 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 858125908 PKIZIPKNHZCVQQ-VIFPVBQESA-N 322.394 -0.546 50 20 DBGD Cn1ncc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C1CC1 860950378 LCUIYMWSWXOQLP-QMMMGPOBSA-N 306.326 -0.271 50 20 DBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862456312 OFYPQDVMOKXSDO-IVZWLZJFSA-N 311.338 -0.608 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2nc3cnccc3s2)N1 862463189 ZVYOQNQAZWWSHJ-LURJTMIESA-N 305.319 -0.269 50 20 DBGD COC(=O)c1cc(C=NNC(=O)CS(C)(=O)=O)oc1C 863188323 RTQRNZARMCNFHZ-UHFFFAOYSA-N 302.308 -0.131 50 20 DBGD C[C@@H](O)CN(C)NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 910162647 HWAUPOUSEBSRHJ-SNVBAGLBSA-N 317.386 -0.034 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 910183986 WJIBQDAZJQFYQH-JTQLQIEISA-N 315.395 -0.106 50 20 DBGD CN(C)[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C12CCC2 912600614 CPEDEUWNDJKBBV-UONOGXRCSA-N 302.183 -0.031 50 20 DBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@H]1Br 912977273 HYCPXTSDBNEKDF-ZTNVNUCQSA-N 304.144 -0.414 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccccc2F)c(O)nc1=O 915805911 BXIPEWMNZVVUQV-UHFFFAOYSA-N 306.253 -0.300 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=S)NCC(=O)N(C)C)n1 918717543 TVPVVBXHKKBDBX-UHFFFAOYSA-N 312.399 -0.917 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1 1116729735 JSACVGHLFOYECZ-UHFFFAOYSA-N 321.289 -0.543 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC)cc1OC 1319300174 SLKHUJSGXXUIHT-UHFFFAOYSA-N 311.294 -0.293 50 20 DBGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cnnn2C)cc1 1327546327 YNQLGWGLUIHWOU-UHFFFAOYSA-N 316.321 -0.223 50 20 DBGD CCN(CCO)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1330881184 ZHKFDAGHLRIVSS-SNVBAGLBSA-N 308.400 -0.686 50 20 DBGD CCn1nncc1CNC(=O)NNC(=O)Cc1cccnc1 1334908245 LYFBGEIOGPHZBQ-UHFFFAOYSA-N 303.326 -0.234 50 20 DBGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 1340108836 AWXGSHIBICMVNQ-UHFFFAOYSA-N 304.328 -0.588 50 20 DBGD C[C@@H]1C[C@@]1(C(=O)O)C(=O)NNc1nccc(N2CCOCC2)n1 1574282336 VPTZOPLPDPTKOI-OTYXRUKQSA-N 321.337 -0.133 50 20 DBGD CSc1nc(O)c(C(=O)NNC(C)=O)cc1-c1nn[nH]n1 1591705934 RAAPSKFYRRQUGZ-UHFFFAOYSA-N 309.311 -0.530 50 20 DBGD Cn1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1=O 1592586821 PYCTXYYQRUQQIF-UHFFFAOYSA-N 313.281 -0.888 50 20 DBGD O=C(NNc1ncncc1F)c1cccc(-c2nn[nH]n2)n1 1593166271 FTBWWQKXWIZOLR-UHFFFAOYSA-N 301.245 -0.052 50 20 DBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 1593927005 RXOZSGRPQLGLRK-QMTHXVAHSA-N 324.289 -0.537 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](C(=O)O)O1 1599864964 CSRDUYBTWPKDLL-PWSUYJOCSA-N 321.333 -0.379 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1601023771 KUPASUILRASSFR-BKPPORCPSA-N 323.309 -0.162 50 20 DBGD C[C@@H]1CN(C)C[C@@H](C(=O)NN=Cc2ccc(C(=O)O)nc2)O1 1776092196 CELCUHHGUQEBMV-SKDRFNHKSA-N 306.322 -0.051 50 20 DBGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)C2CC2)c1 41781186 WIAJRZFFPDYDEI-UHFFFAOYSA-N 321.333 -0.009 50 20 DBGD Cc1ccc(F)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 263984270 XYTGHKHPQWQJIK-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C=CCCC1 275189647 JPDUDCTXZIAFNR-NXEZZACHSA-N 303.384 -0.182 50 20 DBGD O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C1CC1 275789226 KRHRGWAVCLIHLZ-OLZOCXBDSA-N 321.377 -0.015 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 277928797 JPQZHGJPXUOFEI-SNVBAGLBSA-N 309.322 -0.219 50 20 DBGD O=C(NCCNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCO1 291668867 PSHVTFXWPPVATQ-NSHDSACASA-N 321.337 -0.679 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 292349374 DZNRHJVHYZROMG-UHFFFAOYSA-N 321.337 -0.600 50 20 DBGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)N(C)C)c1 299339095 AENZXZMZKYCHNN-UHFFFAOYSA-N 324.337 -0.264 50 20 DBGD O=C(NNC(=O)c1cn2ccccc2n1)C(=O)N1CCCC1 299614361 YCAQDAZIRCUTTK-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)N1 302682579 ANPSVZLVSBPOSP-LURJTMIESA-N 315.127 -0.183 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@H]([C@@H]2CCCO2)C1 584957090 CGKDEUIBIUYPLE-KBPBESRZSA-N 305.139 -0.614 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584959002 ASNGPQQPQHEPIK-JTQLQIEISA-N 308.118 -0.754 50 20 DBGD CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584966500 BLABOJDHNLXQKG-NSHDSACASA-N 322.145 -0.554 50 20 DBGD C[C@](O)(CNC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F 584968586 YWMWYOZECUTHHO-JTQLQIEISA-N 309.024 -0.451 50 20 DBGD Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1-n1cnnn1 585070500 YGKFDKPQVNHHPY-LLVKDONJSA-N 301.115 -0.340 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CC[C@H](B(O)O)C1 585075590 SOBDWCZOFTVUBW-GARJFASQSA-N 308.143 -0.763 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)c1ccccn1 732049103 OKALXUCRUXLXCF-UHFFFAOYSA-N 303.278 -0.036 50 20 DBGD O=C(NNC(=O)c1cnn2ccccc12)C(=O)N1CCCC1 732278985 AJUUQRXCPALMMG-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](O)C[C@H]1C(=O)O 736402693 WYNDQPGXUXZLLG-AEJSXWLSSA-N 301.343 -0.912 50 20 DBGD Cn1cc(N2CC[C@H](NC(=O)NNc3cccnn3)C2=O)cn1 737048546 WDKKVNQRMIQWPV-JTQLQIEISA-N 316.325 -0.358 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] 741202955 AJTXPGWDHNEWMV-UHFFFAOYSA-N 313.295 -0.069 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1 752015105 JHJVNUYDMXQOMU-NSHDSACASA-N 319.317 -0.388 50 20 DBGD CCOCC(=O)NNC(=O)NCC1(CS(C)(=O)=O)CC1 753038541 PSSUAMZXDKIJJN-UHFFFAOYSA-N 307.372 -0.822 50 20 DBGD CN1CCN(c2ccccc2NC(=O)NNC(=O)CO)CC1 755529411 CBFJRCBBWFUGHX-UHFFFAOYSA-N 307.354 -0.417 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)NCC(F)(F)F)CCC1 798314295 FNUVHLJJDBYVAD-UHFFFAOYSA-N 317.289 -0.154 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)CN2CCCC2=O)n1C 814761268 SIOVYNFVMUYUCI-UHFFFAOYSA-N 306.322 -0.116 50 20 DBGD C[C@@H](CO)N(C)NC(=O)Cc1cccc(NS(C)(=O)=O)c1 823959869 RIDZKMFWZUXRJU-JTQLQIEISA-N 315.395 -0.056 50 20 DBGD CN1N=C(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1=O 826050840 GAADUIKMDPRRFQ-UHFFFAOYSA-N 314.309 -0.082 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@H]1C(=O)O 826753801 FURUTSWVCKCRRN-ZJUUUORDSA-N 301.343 -0.646 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCS1(=O)=O 847518155 LYYBCEKXYBTDLB-SECBINFHSA-N 319.383 -0.984 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccn2nnnc2c1 850305625 AGWLRFDQXPPLCA-ZETCQYMHSA-N 306.282 -0.773 50 20 DBGD O=C(CCNC(=O)c1cccs1)NNC(=O)[C@@H]1CCC(=O)N1 862448969 KBDPTTBINWMZPO-QMMMGPOBSA-N 324.362 -0.706 50 20 DBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452474 LMCBKLHDDDPKGW-ZJUUUORDSA-N 310.354 -0.797 50 20 DBGD COc1nc(N(C)C)sc1C=NNC(=O)CS(C)(=O)=O 863188123 NQANPLAGGLYPRF-UHFFFAOYSA-N 320.396 -0.288 50 20 DBGD COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(B(O)O)cc1 863876841 KXNMLGAPIHXLTK-CQSZACIVSA-N 309.127 -0.936 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc2c(c1)N(C)CCO2 869906499 MUWXJVWTLXGEJV-UHFFFAOYSA-N 323.349 -0.061 50 20 DBGD COc1ccc(NC(=S)NNC(=O)C2CN(C(C)=O)C2)cn1 874953998 MIERIOMSXJREHU-UHFFFAOYSA-N 323.378 -0.114 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NN(C)C[C@H](C)O)C1 910168583 OWIFNWHYIYUKKU-QWRGUYRKSA-N 307.416 -0.608 50 20 DBGD CN(C)CCN1CCC(NC(=O)NNC(=O)c2ccc[nH]2)CC1 916382787 OTCOSUOYHSMPFS-UHFFFAOYSA-N 322.413 -0.015 50 20 DBGD CC1CCN(C(=O)C(=O)NNC(=O)C(=O)N2CCCC2)CC1 1116800563 DLLRVCDEWSKEOC-UHFFFAOYSA-N 310.354 -0.985 50 20 DBGD CC(=O)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)cs1 1261835265 PAVJNKFNXPEDNR-UHFFFAOYSA-N 304.349 -0.244 50 20 DBGD O=C(NCCCN1C(=O)CCC1=O)NNC(=O)c1ccc[nH]1 1318300616 RVHIFOIMYHDJMF-UHFFFAOYSA-N 307.310 -0.502 50 20 DBGD CN(C)c1nccc(NNC(=O)c2ccc(C(N)=O)nc2)n1 1318705595 LMVQTRBPGVLPIL-UHFFFAOYSA-N 301.310 -0.207 50 20 DBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2ccc[nH]2)CCC1 1321080950 UKSDGGUDCVGCKU-UHFFFAOYSA-N 314.367 -0.074 50 20 DBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1F 1323944251 WAROHUGCEDWWOP-UHFFFAOYSA-N 322.296 -0.189 50 20 DBGD O=C(CCc1nc2cccnc2[nH]1)NNC(=O)[C@@H]1CCC(=O)N1 1329172960 QKXVBPISGAOZLG-VIFPVBQESA-N 316.321 -0.684 50 20 DBGD O=C1N[C@H]2CCN(C(=O)NNC(=O)c3cn[nH]c3)C[C@@H]2CO1 1331537346 TWSGGHXTNDAVRQ-BDAKNGLRSA-N 308.298 -0.806 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNc1ncncc1F 1349582343 WMSHZKLBGDRZOY-UHFFFAOYSA-N 305.335 -0.092 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1nnn([C@@H]2CCNC2)c1C(F)F 1576271793 IDLXHBDOCSNNHM-JGVFFNPUSA-N 318.328 -0.293 50 20 DBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C(=O)O)C1 1594407397 VIDMGOWJVAMEBG-PELKAZGASA-N 309.102 -0.169 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1cccc(C(=O)O)c1F 1601302208 DBTMAJSGBPANCQ-UHFFFAOYSA-N 310.241 -0.481 50 20 DBGD O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)NNC(=O)c1ccccc1 1601317588 NRYNTALPHYVWPI-PJXYFTJBSA-N 303.318 -0.290 50 20 DBGD CC(C)OC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1609101075 SDZLACWURHXFBM-UHFFFAOYSA-N 316.299 -0.212 50 20 DBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)O)C1 1846173858 QCYJPSJRRYAKLO-NXEZZACHSA-N 304.774 -0.176 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 8391156 QQQKWQOEXJJHBD-UHFFFAOYSA-N 321.259 -0.426 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)c1ccncc1 192559544 GWUUKULSEPMVMN-UHFFFAOYSA-N 312.289 -0.648 50 20 DBGD COCCn1cc(S(=O)(=O)NNC(=O)CC(C)C)cn1 269612213 KNKVDIZYLYODQY-UHFFFAOYSA-N 304.372 -0.115 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(F)c1 273457867 HCYFQVNJXCWSPT-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD COC(=O)[C@H]1C[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 281024742 BHQZQCVGQDYOEH-PTRXPTGYSA-N 320.301 -0.217 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)ccc1F 281461679 FVCYVJTVXLOAPN-UHFFFAOYSA-N 318.330 -0.221 50 20 DBGD O=C(CC1CC1)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 294250480 SVAWFMDBKGAQIY-PNZRWIHMSA-N 321.333 -0.904 50 20 DBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)Cn2cnnn2)o1 299496118 LNPNZQQSJIITHG-UHFFFAOYSA-N 321.341 -0.431 50 20 DBGD O=C(NCCn1cnnc1C1CC1)c1ccc(B(O)O)c(F)c1 584949795 VGJNFDYQAILWQE-UHFFFAOYSA-N 318.117 -0.596 50 20 DBGD CN1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 585001434 WFKHPGJQPFDSMD-VIFPVBQESA-N 308.118 -0.896 50 20 DBGD C[C@H](CCN1CCN(C)CC1)NCc1cccc(B(O)O)c1 585036608 MLAWYZLTQYRCTJ-CQSZACIVSA-N 305.231 -0.518 50 20 DBGD CCN1C(=O)CO[C@H](C(=O)NCB(O)O)[C@H]1c1ccccc1 585062499 JSCKZITZPFGWHE-OLZOCXBDSA-N 306.127 -0.897 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cccc(OC(F)F)c1 728448582 IOXDEKFXBBQPLR-UHFFFAOYSA-N 318.305 -0.118 50 20 DBGD CCN(CCCNC(=O)NNC(=O)C1CCC1)S(C)(=O)=O 732242571 NWMZHRSEUMHMKM-UHFFFAOYSA-N 320.415 -0.212 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)c2ccccc2O)C1 732474940 MQEYYUNTCGFZAF-LLVKDONJSA-N 321.381 -0.418 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)NCC 734125530 JQEFSCDVLAFFKK-SNVBAGLBSA-N 320.415 -0.069 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(F)c(C(=O)O)c1 737952024 PTBGYJHYYHSGFK-UHFFFAOYSA-N 305.287 -0.012 50 20 DBGD C[C@H](O)CN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744398623 VYAPFAYVZOTDEZ-NSHDSACASA-N 300.403 -0.822 50 20 DBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)Cc1ccncc1 747322975 VPICNBMGIKMBLR-UHFFFAOYSA-N 318.293 -0.034 50 20 DBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 753956490 YVNAUEDBFQTICU-UHFFFAOYSA-N 317.371 -0.301 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 764421127 GCVIJADZLGPKDF-UHFFFAOYSA-N 303.278 -0.845 50 20 DBGD NC(=O)c1ccc(NNC(=O)Cc2csc3nccn23)nn1 768231411 NXOLDZOALWYBBY-UHFFFAOYSA-N 317.334 -0.030 50 20 DBGD COc1ccccc1C(=O)NNC(=O)Cn1ncn(C)c1=O 778723272 YDQDYOKSFICFMO-UHFFFAOYSA-N 305.294 -0.948 50 20 DBGD COC(=O)[C@@H](C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1 796497345 XCRGFKPUWJWKDN-SNVBAGLBSA-N 318.333 -0.187 50 20 DBGD O=C(NNC(=O)c1cccc(C(=O)O)c1)C(=O)N1CCCC1 821451683 HVJLNEKGPYAQRA-UHFFFAOYSA-N 305.290 -0.232 50 20 DBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1 824177091 JYRMJKCKWOAACJ-XYPYZODXSA-N 323.353 -0.218 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 826667524 PUOBOHFOFFJTPH-IJLUTSLNSA-N 319.365 -0.206 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 854922980 VPKXEZXNPVJNRD-UWVGGRQHSA-N 323.378 -0.576 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)N(C)C)n1 854956111 DWEXUOLYDCELME-UHFFFAOYSA-N 322.778 -0.722 50 20 DBGD CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1(C)C 858264622 CGDHGCJFYZVCKV-RFXMVYNHSA-N 312.370 -0.201 50 20 DBGD CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858310930 BKHWVWMIEVEVGF-HBNTYKKESA-N 311.386 -0.532 50 20 DBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(OC)n1 860535683 ALZKWOYOSYROQO-ZETCQYMHSA-N 323.309 -0.470 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2OCCc3ccccc32)N1 862457802 RABBPHKVVHHDJB-WCQYABFASA-N 303.318 -0.274 50 20 DBGD C=CC(=O)N(CC)CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 908279501 MARIXRAKDYROCF-NSHDSACASA-N 317.411 -0.487 50 20 DBGD O=C(CCN/C(O)=C1\N=CC=CC1=O)NNC(=O)c1ccc[nH]1 1252384965 YDBUFOUNGROSQT-WYMLVPIESA-N 317.305 -0.308 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccncc1 1318953927 OUPKKAZPAZVNRQ-UHFFFAOYSA-N 314.367 -0.901 50 20 DBGD Cn1ccc(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)c1 1319269179 YZWGXCYKYIGIEX-UHFFFAOYSA-N 316.321 -0.111 50 20 DBGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 1321140639 OZDZSIOBJAVJTQ-UHFFFAOYSA-N 318.333 -0.529 50 20 DBGD Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)C(=O)NC1CC1 1321172420 NEFHHIJRZREGJG-UHFFFAOYSA-N 308.338 -0.005 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=S)NCCc1cccnc1 1325967971 FEMXUPRGMGGSLS-UHFFFAOYSA-N 309.395 -0.356 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCO)cn2ccnc12 1327835256 UMSQMCAGZXHLIQ-UHFFFAOYSA-N 305.294 -0.889 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1ccccc1F 1346470922 GSTNVRQUBBLGCJ-FZMZJTMJSA-N 320.368 -0.096 50 20 DBGD C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)NNC(=O)c1cn[nH]c1 1351351454 FDTZXYBXDSOMLL-QMMMGPOBSA-N 310.358 -0.001 50 20 DBGD CN(C)N(C(=O)[C@@H](N)CCCC#N)[C@H]1CCS(=O)(=O)C1 1578420140 AENPMLLULRFKLH-QWRGUYRKSA-N 302.400 -0.500 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1594442291 QQRBDVREEKNXPH-IUCAKERBSA-N 310.310 -0.251 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1596859957 HRGWAGGQSAKCHS-WQTVUKCASA-N 323.349 -0.182 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2ccc(F)c(C(=O)O)c2)CC1 1608258788 PBPXMZOTKPLWKN-UHFFFAOYSA-N 317.298 -0.212 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2cncnc2)C1 1842483514 SYYCLQHXGNPPOH-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccc(C#N)cc1 140437856 DZTCGICCOXXZHN-UHFFFAOYSA-N 305.363 -0.245 50 20 DBGD O=S1(=O)CCCN(S(=O)(=O)CBr)CC1 227979485 XOGDJIWUZMQEIH-UHFFFAOYSA-N 306.203 -0.211 50 20 DBGD CC(=O)N(C)CC(=O)NNc1nc2ccccc2c(=O)n1C 264937833 GGYZJLBQVHTMBK-UHFFFAOYSA-N 303.322 -0.145 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)ccc1C#N 277644717 QHJXXSAZTCODIO-UHFFFAOYSA-N 324.362 -0.299 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)[C@@H]1CCCO1 292091710 GWOHJOTWQKTKJH-VIFPVBQESA-N 324.337 -0.823 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCO[C@@H]1C1CC1 375109708 HGQIQXDMOANEPM-ABAIWWIYSA-N 324.381 -0.199 50 20 DBGD O=C(CN1CCN2C(=O)OC[C@H]2C1)NNC(=O)c1cccs1 493942524 URBGYDHAXRMGFA-SECBINFHSA-N 324.362 -0.355 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)cc1OC 496819172 LRHXZIJYQYFULE-HQJQHLMTSA-N 323.305 -0.038 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)cc1OC 496819174 LRHXZIJYQYFULE-WRWORJQWSA-N 323.305 -0.038 50 20 DBGD CCO[C@H]1C[C@](CO)(NC(=O)c2cccc(B(O)O)c2)C1(C)C 584979296 POPXKHDTGWJDAD-XJKSGUPXSA-N 321.182 -0.338 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN(C(=O)C2CC2)C1 585001273 VEMOVVPGTOGKLY-UHFFFAOYSA-N 306.102 -0.843 50 20 DBGD NC(=O)[C@@H]1CCCN(CCCNCc2cccc(B(O)O)c2)C1 585021540 BEZJBYCDLDUSNG-CQSZACIVSA-N 319.214 -0.957 50 20 DBGD O=C(Cc1nc(-c2ccc(B(O)O)cc2)no1)NCC1CC1 585054852 NTGBFDYTUYCCHA-UHFFFAOYSA-N 301.111 -0.515 50 20 DBGD CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1C 585058469 GHCVZMNZBIEZEV-SNVBAGLBSA-N 301.177 -0.243 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccncc1 732839661 WXCJBKIJHOVKJG-SNVBAGLBSA-N 312.351 -0.733 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCN(C2CC2)C1 748636735 XGPQXHRQFIXNCF-QWRGUYRKSA-N 314.386 -0.395 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2cncnc2)c2ccccc2c1=O 760797103 CWVFTZVTIVOMFA-UHFFFAOYSA-N 324.300 -0.202 50 20 DBGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)COCC)cc1 764319079 JORWXVATWIPIRH-UHFFFAOYSA-N 319.317 -0.179 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1OC 765396729 VPOPPFMJRCROML-UHFFFAOYSA-N 312.282 -0.185 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O 768762797 XUKAHPSRLBAWLE-SKDRFNHKSA-N 322.321 -0.332 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C(N)=O)c1 771984241 HBVOOVWUQRYWNC-MRVPVSSYSA-N 307.306 -0.112 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCC1(C)C 776140174 VNWTVJDPKCQAQK-RKDXNWHRSA-N 305.400 -0.102 50 20 DBGD COCCN([C@H](C)C(N)=O)S(=O)(=O)CBr 782434738 KJEWDMAUFMKGFP-ZCFIWIBFSA-N 303.178 -0.509 50 20 DBGD CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CN(C)C)c1C 792268309 LMXVSIPQEJNANV-SECBINFHSA-N 324.385 -0.190 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H]2C(=O)O)c1 821340422 HVTGLDNSXJBKIM-LBPRGKRZSA-N 316.317 -0.132 50 20 DBGD COc1cc(C)nc(NNC(=O)CNC(=O)[C@@H]2CCCN2)n1 830981003 MWKFCVUIOOQZLB-VIFPVBQESA-N 308.342 -0.895 50 20 DBGD CN[C@@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 843344794 XNTUDTZJMJIVMU-LLVKDONJSA-N 321.337 -0.351 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1COCCN1CC(F)F 843970438 GATZJQVZDYMQDR-AEJSXWLSSA-N 321.324 -0.475 50 20 DBGD CNC(=S)N(C)NC(=O)[C@]1(c2ccccc2)CNC(=O)C1 854920710 HJVQWYCWKKMEMQ-AWEZNQCLSA-N 306.391 -0.088 50 20 DBGD CCOCCC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858313776 IWKGECRQNGLWGE-JTQLQIEISA-N 312.370 -0.198 50 20 DBGD CC(C)(C)[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858699308 NWXLJVGBXXJXBF-ZJUUUORDSA-N 312.370 -0.247 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(C(F)(F)F)n[nH]1 863465627 DBJGQJRARVTLEE-UHFFFAOYSA-N 314.245 -0.766 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H](C)c1ccco1 863866574 VYBQEMJYBKSOTM-RKDXNWHRSA-N 317.367 -0.142 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCc2cnc(C)n2C1 869904581 BPXWUKYOGYDYLB-NSHDSACASA-N 310.354 -0.436 50 20 DBGD COCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)OC)cc1 1116807824 VPERHIVNQOJIKY-UHFFFAOYSA-N 309.278 -0.908 50 20 DBGD CN(C)N(C(=O)C[C@H]1CCCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1117486691 XWKMLTLQIZKNDT-MNOVXSKESA-N 317.411 -0.463 50 20 DBGD CCOc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1C 1257268161 KYOWKDLVQNLIEZ-UHFFFAOYSA-N 309.322 -0.138 50 20 DBGD C[C@@H]1[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CCN1C 1261501052 OEOVEYDNUZLYDL-NXEZZACHSA-N 305.338 -0.492 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CC2(Cl)Cl)N1 1261787402 OGIUZBYPQNTUFZ-RITPCOANSA-N 309.153 -0.211 50 20 DBGD O=C(COC(=O)C1(CO)COC1)NNC(=O)c1cccs1 1321279882 BXZVJOZVMJAPOR-UHFFFAOYSA-N 314.319 -0.939 50 20 DBGD Cc1cc(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)ncn1 1321845443 SRMYKPVLNPYUBA-UHFFFAOYSA-N 300.282 -0.687 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 1323927978 ZZWUNDNUDLDZOM-UHFFFAOYSA-N 320.284 -0.098 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)Cc3cc[nH]n3)nn2)COC1 1325407824 YGJLGOBEPCCNCP-UHFFFAOYSA-N 319.325 -0.959 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 1325506529 QYYHHCGXKXOKEY-UHFFFAOYSA-N 310.285 -0.334 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 1338739790 LZXJCKHCHRORFV-UHFFFAOYSA-N 320.227 -0.431 50 20 DBGD CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 1352876925 IREABIOXOUSGCJ-GFCCVEGCSA-N 304.155 -0.693 50 20 DBGD NCCCCCC(=O)NNC(=O)c1cn(C2CCOCC2)nn1 1580292575 CZSJHVXSVGVRAB-UHFFFAOYSA-N 324.385 -0.090 50 20 DBGD Cn1c(C(=O)NN=c2cc[nH]cc2F)ccc1-c1nn[nH]n1 1592549389 BEIGDUVVJHOVEE-UHFFFAOYSA-N 302.273 -0.082 50 20 DBGD O=C(O)Cc1ccccc1NC(=O)NNC(=O)[C@@H]1COCCO1 1595136568 OALLXJCIUTUVQO-NSHDSACASA-N 323.305 -0.118 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](C(=O)O)C2=O)o1 1600341665 UODWVKCKWRGPPY-VIFPVBQESA-N 323.305 -0.328 50 20 DBGD O=C(O)Cc1csc(NC(=O)c2ccc(B(O)O)cc2)n1 1602153456 PISPDVRSRNVWBX-UHFFFAOYSA-N 306.108 -0.298 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cncc(C(=O)O)c1 1605332125 SLVGEQJVQXLQRJ-UHFFFAOYSA-N 302.312 -0.318 50 20 DBGD CN(CC(=O)NNc1ccc(C(=O)O)cc1F)S(C)(=O)=O 1606081340 JXVYVQPOOFYBLH-UHFFFAOYSA-N 319.314 -0.142 50 20 DBGD CNC(=O)COc1cc(C(=O)O)ccc1NC(=O)NNC(C)=O 1606274169 TWXPDIZJWVHKNM-UHFFFAOYSA-N 324.293 -0.318 50 20 DBGD CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792900234 WQCKXIVXZGOXAV-UTINFBMNSA-N 304.774 -0.047 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCCO1 32261692 RAGGYSVYCHVVOL-SFYZADRCSA-N 323.271 -0.276 50 20 DBGD O=C(Cn1ccc2ccccc21)NNC(=O)c1nc(=O)[nH][nH]1 104942494 MCXVIWUJEFCWLO-UHFFFAOYSA-N 300.278 -0.486 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CN2CCOCC2)C1 129256665 SGBQXBAFDHTXPD-CHWSQXEVSA-N 312.414 -0.414 50 20 DBGD CC(C)c1nnnn1CC(=O)NNC(=O)Cc1ccncc1 175803698 REPQYBWJPPAOIF-UHFFFAOYSA-N 303.326 -0.418 50 20 DBGD CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)c1cnn(C)c1 266828426 TVPIPGUXXFIHEG-SECBINFHSA-N 311.342 -0.048 50 20 DBGD COc1nccnc1NNC(=O)CCC(=O)N1CCOCC1 274150037 YWRXWQVKWWUTOP-UHFFFAOYSA-N 309.326 -0.433 50 20 DBGD COc1ccc(NNC(=O)C2=NN(CCO)C(=O)CC2)nc1 275551429 LZFNDCYPIBFSGI-UHFFFAOYSA-N 307.310 -0.496 50 20 DBGD COCCN(C)NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 293753013 YFTOXABOPBKYNR-HNNXBMFYSA-N 320.349 -0.036 50 20 DBGD C[C@@H](O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 294268462 GPUSGNUILBLVMV-CYBMUJFWSA-N 320.393 -0.273 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 368246435 UZKVIPHABLYYAH-SDDRHHMPSA-N 312.370 -0.974 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(B(O)O)c1 584909661 HIDDHDBSQBTHRJ-JTQLQIEISA-N 304.155 0.000 50 20 DBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)CN1CCCC1 584932220 QHGXDJLRFYDCPY-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)cn1 735470485 AWROEMHHLLBTEA-UHFFFAOYSA-N 302.294 -0.751 50 20 DBGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)N(C)C)c1 745833659 AUUVTJBRMCWUCF-UHFFFAOYSA-N 301.324 -0.062 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)Cc1ccncc1 747325298 YODBWLJSCDDIFU-UHFFFAOYSA-N 313.379 -0.158 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 752732783 DTJNXYFELKJADN-JTQLQIEISA-N 320.484 -0.187 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CN1C1CC1 753944756 LKGKOKPAIPIDCG-MNOVXSKESA-N 323.397 -0.436 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCCO1 755426181 RAJORAVLXPVSGU-VIFPVBQESA-N 302.352 -0.347 50 20 DBGD C#CCNC(=S)NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1 758182775 DHTNESIAXIAYHO-IJLUTSLNSA-N 312.439 -0.140 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNc1cnccn1)n1cccn1 775278068 XJEZQELANBPCRH-SNVBAGLBSA-N 303.326 -0.164 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1nccnc1C 783512823 FRGXGHXWEJYJED-JTQLQIEISA-N 311.367 -0.005 50 20 DBGD O=C(CN1CCCC1=O)NNc1ccc(-n2ccnc2)nn1 804957648 OUWPBCWVBWFIOT-UHFFFAOYSA-N 301.310 -0.272 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 807380268 SJJJRGSLFFYPNP-UHFFFAOYSA-N 310.314 -0.465 50 20 DBGD COCCOCC(=O)NNC(=O)c1c(F)ccc2c1OCO2 827870051 SWWBFPKJBMQBFG-UHFFFAOYSA-N 314.269 -0.022 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ccc(C(=O)O)cn1 833460315 ASAACJYHIYYLFH-UHFFFAOYSA-N 316.339 -0.449 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843979580 OWRURNNRZXGEBE-JQWIXIFHSA-N 323.349 -0.175 50 20 DBGD C[C@H](C(=O)NNC(=S)NCC1CCC1)N1CCN(C)CC1 855091270 JNWVXDHMJMAXPJ-LLVKDONJSA-N 313.471 -0.082 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)c3cc[nH]n3)nn2)COC1 855356494 NFMMVJCMPZZFKI-UHFFFAOYSA-N 305.298 -0.888 50 20 DBGD COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858250805 HFGAHKSLHGPLDJ-BDAKNGLRSA-N 300.359 -0.201 50 20 DBGD CC(C)c1nn(C)cc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 861050373 GIJKFMHZQDDPFQ-QMMMGPOBSA-N 308.342 -0.025 50 20 DBGD C[C@H](NNC(=O)Cn1nc2n(c1=O)CCCC2)C(F)(F)F 862323558 UCOLNPLHXXEADG-ZETCQYMHSA-N 307.276 -0.047 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(F)cc3nn[nH]c23)N1 862458712 HWFKTAMYDVZFMR-SSDOTTSWSA-N 306.257 -0.863 50 20 DBGD CCCCNC(=O)NNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 863400158 BONDNEWVWAGWGX-UHFFFAOYSA-N 320.331 -0.379 50 20 DBGD CC(C)CCn1cc(C(=O)NNC(=O)CS(C)(=O)=O)nn1 863463246 GVMGEXGUYARAIS-UHFFFAOYSA-N 317.371 -0.870 50 20 DBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NN(C)C[C@@H](C)O 910168575 OVRJMQDCBTZIRE-SFYZADRCSA-N 300.388 -0.168 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)CS(C)(=O)=O 919744814 ZDTOCEHYAXVJGT-UHFFFAOYSA-N 315.351 -0.701 50 20 DBGD COc1nccc(C(=O)NNC(=S)NCCSC)n1 935196386 JMIPZWJYVNFCQE-UHFFFAOYSA-N 301.397 -0.043 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CO[C@@H]3CCOC3)nc21 1253271838 AGBJYVNTANFIAV-SSDOTTSWSA-N 308.298 -0.683 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCN1 1319469230 RPZNFEWXPAIPJT-QMMMGPOBSA-N 305.338 -0.424 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2nc(O)oc2c1 1319843886 BSDXEDILQWHUMK-UHFFFAOYSA-N 306.278 -0.181 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccncc1 1321369087 SIQVPXVACZKVAM-UHFFFAOYSA-N 317.305 -0.065 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc2nnc(O)n2c1 1324564437 CIYXRZNUPFRJQB-UHFFFAOYSA-N 308.298 -0.585 50 20 DBGD Cc1cocc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1328815935 VBVRQSGTSZREHK-QMMMGPOBSA-N 301.324 -0.281 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nccc(C(F)F)n1 1329283694 KWZXVHVLYGWWCS-UHFFFAOYSA-N 303.225 -0.582 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1C 1329297714 DVZONKIFVMRIRS-PSASIEDQSA-N 323.353 -0.507 50 20 DBGD COCC(=O)N[C@H](C(=O)NNc1nccn(C)c1=O)C(C)C 1330776793 JFZZJGXXEWEAQV-JTQLQIEISA-N 311.342 -0.989 50 20 DBGD CN(C)Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)no1 1331134399 CHNSRISUQSYXTF-UHFFFAOYSA-N 310.358 -0.662 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cc(C)[nH]n2)n1 1336230393 WLTDYVWEGKKLOL-UHFFFAOYSA-N 302.294 -0.452 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)c2cnn(C)c2)n1 1343129338 UCMGNZAOMJCRQO-UHFFFAOYSA-N 307.314 -0.737 50 20 DBGD CCn1[nH]c(C)nc1=NC(=O)NNC(=O)CCCc1cnn[nH]1 1576702078 BWLZSPXNCGXJBV-UHFFFAOYSA-N 321.345 -0.678 50 20 DBGD O=C(O)Cc1ccccc1CNC(=O)NNC(=O)c1ncon1 1602144658 DEJPQNBODFDXIQ-UHFFFAOYSA-N 319.277 -0.159 50 20 DBGD CC(C)(C(=O)O)n1ccc(NC(=O)C(=O)NNC(=O)C2CC2)n1 1602837907 GMGZHXUTBVJERW-UHFFFAOYSA-N 323.309 -0.801 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 15639662 GUYCRFNQEJKGBI-SNVBAGLBSA-N 314.338 -0.050 50 20 DBGD COc1cc(CC(=O)NNC(=O)C(=O)NC2CC2)ccc1C 53758856 UUGRITSWEADFPA-UHFFFAOYSA-N 305.334 -0.028 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2C1 70719934 WBCFYHWCXVBMCW-NSHDSACASA-N 305.334 -0.090 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1nc(C)cc(OC)n1 266968827 WAJPVEVMKOIDQZ-UHFFFAOYSA-N 318.355 -0.702 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Cl)ccn1 273355893 BWIXECDNXSXSLT-ZCFIWIBFSA-N 320.758 -0.566 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(F)c1 273457865 HCYFQVNJXCWSPT-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnnn2C)C[C@@H](C)O1 282101210 WALIIUVNJFBROZ-NXEZZACHSA-N 310.358 -0.925 50 20 DBGD CCOC(=O)c1cccc(S(=O)(=O)NNC(=O)NC)c1 299508123 MDTGOQRVXZMCPP-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD CCCC[C@H]1C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584961216 RMMSVJLQJRGTLF-ZDUSSCGKSA-N 322.145 -0.364 50 20 DBGD COCCN(Cc1ncc[nH]1)C(=O)c1ccc(B(O)O)c(F)c1 584983823 QPNXNPWJTPESAA-UHFFFAOYSA-N 321.117 -0.483 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 727271392 BJTZQMXYJPBGJH-CBAPKCEASA-N 305.425 -0.285 50 20 DBGD COc1cc(CNC(=O)NNC(=O)c2cnn(C)c2)ccn1 735512537 NJCHNWHPXLFKEL-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)C[C@@H]2SC(=N)NC2=O)cc1 742598161 VARUMYXOENOZBV-VIFPVBQESA-N 317.330 -0.124 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNC(=O)N2CCOCC2)CC1=O 745986254 PQRPJADFOZPQSJ-LLVKDONJSA-N 312.370 -0.436 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC([C@H](O)C(=O)OC)CC1 749534753 CHPSTUJNSWHWHY-SKDRFNHKSA-N 315.370 -0.822 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)CNC2=O)o1 752781442 RYHQVTYEHJUYBJ-UHFFFAOYSA-N 308.294 -0.319 50 20 DBGD CC(C)N1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 754258392 HTAGFIIYOVXVAD-ZJUUUORDSA-N 304.416 -0.244 50 20 DBGD CCCCO[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758029008 HSMZJTICVPWBOE-IUCAKERBSA-N 309.388 -0.723 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(C(N)=O)cc1 768495237 SUHFHZHFFQBROE-UHFFFAOYSA-N 300.340 -0.360 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 774773254 WUAZRGSYSCFHKE-VHSXEESVSA-N 300.359 -0.391 50 20 DBGD O=C1CN(c2ccnc(C(=O)NN=c3cc[nH]cc3)c2)CCN1 787251248 KAESGRSOIZURHK-UHFFFAOYSA-N 312.333 -0.408 50 20 DBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)Cc1ccncc1 800333363 SMVMJNVFBRNGCY-LLVKDONJSA-N 307.354 -0.146 50 20 DBGD C=CCNC(=S)NNC(=O)c1cncc(-n2ccnn2)c1 801798210 RCIPJCACBTYOOJ-UHFFFAOYSA-N 303.351 -0.043 50 20 DBGD Cc1nc(CC(=O)NNC(=O)CSCC(=O)O)cs1 814325568 UTMDABUAUZFXEJ-UHFFFAOYSA-N 303.365 -0.041 50 20 DBGD COc1ncnc(N(C)C)c1NC(=O)NNC(=O)c1cc[nH]n1 821953205 IQIJYPRIDTZUED-UHFFFAOYSA-N 320.313 -0.259 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)NCC(F)F 827274790 QSFNXZZYOAHOJD-NKWVEPMBSA-N 308.285 -0.877 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](CN)C1CCCC1 841985126 JVJQUWUCLOUJHF-CMPLNLGQSA-N 316.402 -0.114 50 20 DBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cc[nH]n2)C1 849310354 BOQDKNFFVCGMSW-DTORHVGOSA-N 301.372 -0.133 50 20 DBGD Cc1c(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)nnn1C 855831581 XKXJIIVSPUFOAI-UHFFFAOYSA-N 324.385 -0.173 50 20 DBGD CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858310929 BKHWVWMIEVEVGF-GMTAPVOTSA-N 311.386 -0.532 50 20 DBGD COC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCCC1 858404190 OFZXQTDDVUIBIK-SNVBAGLBSA-N 312.370 -0.055 50 20 DBGD CCO[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 860028421 KBQORRCJYPICKB-LLVKDONJSA-N 306.322 -0.017 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNc1cccc(C)n1 862522960 MWQJCNWFJIDBJS-UHFFFAOYSA-N 307.354 -0.134 50 20 DBGD Cn1c(=O)oc2cc(C=NNC(=O)[C@H]3CCC(=O)N3)ccc21 863151010 CBKQGAVGQHKZLN-SECBINFHSA-N 302.290 -0.140 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 863467162 PFZQXLBEGGRQLS-RAIGVLPGSA-N 308.359 -0.236 50 20 DBGD Cc1nn(C)c(N2CCC2)c1NC(=O)c1ccc(B(O)O)cc1 913255572 GTQWFFCPWSTHLW-UHFFFAOYSA-N 314.154 -0.129 50 20 DBGD CC(C)c1nccn1CC(=O)NNC(=O)CN1CCCC1=O 913734732 ZHASUOZGZUCBDS-UHFFFAOYSA-N 307.354 -0.224 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1 915261698 FDFITGDJGJDWML-SNVBAGLBSA-N 318.333 -0.001 50 20 DBGD CC(C)[C@H](C(=O)NNc1ccn(C)n1)N1CCCS1(=O)=O 1116852817 RQCRDRKYZJQWMU-LLVKDONJSA-N 315.399 -0.077 50 20 DBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1cccn1 1261436048 NWRRTAVTSJVWJJ-UWVGGRQHSA-N 314.367 -0.584 50 20 DBGD CCOCc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 1325516096 NVZWNSQXQHOGNL-UHFFFAOYSA-N 322.365 -0.129 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 1329250951 BNZICHJYLNTBOF-UHFFFAOYSA-N 301.280 -0.600 50 20 DBGD CC[C@@H]1C[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)CCO1 1348437430 WUOUTPNVQJBESB-VHSXEESVSA-N 306.384 -0.226 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1351032256 DDPVZDIXWHUNMO-QMMMGPOBSA-N 323.440 -0.564 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)[C@H]2CCCNC2)cn1 1578418763 HDWMOCIHNMDFAP-NSHDSACASA-N 308.386 -0.795 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCNC2)[C@@H]1CCN1C1CCOCC1 1580732960 LBDIWSKIAHWAIN-HEHGZKQESA-N 322.409 -0.613 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(CC(=O)O)c1 1589908689 LQLOFDQDEFEPPV-UHFFFAOYSA-N 322.321 -0.055 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 1591958556 OEQXLQKXARXVMD-UHFFFAOYSA-N 315.297 -0.770 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cn(C2CC2)nn1 1593163458 XBOOPRYFQPEBIK-UHFFFAOYSA-N 312.297 -0.055 50 20 DBGD O=C(O)[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1C1CC1 1595186835 FKTBEJSBATXWIZ-NWDGAFQWSA-N 321.113 -0.312 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc(-c2nn[nH]n2)cc1 1606852013 VOARJEPKHHOGDQ-SNVBAGLBSA-N 318.293 -0.957 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1cnccc1-c1nn[nH]n1 1609537016 JGOZCYKEJHXJRI-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD CC(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 38334946 DMLPYUZSMYOMBR-UHFFFAOYSA-N 304.350 -0.388 50 20 DBGD CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)NC)cc1 48962030 DXUGRPVBMLOFAX-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2)O1 268315380 LLEPZNTZOHNZNH-QWRGUYRKSA-N 306.322 -0.337 50 20 DBGD Cc1cc(C(=O)NNC(=O)C2CCN(C(=O)N(C)C)CC2)[nH]n1 269052401 OFIRIMARTFFMNC-UHFFFAOYSA-N 322.369 -0.127 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)n1 272573122 DEONQKFUPOVNMB-GZMMTYOYSA-N 323.353 -0.488 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCCS2(=O)=O)[nH]n1 274853645 WILAOIAFUWJWMR-SECBINFHSA-N 300.340 -0.554 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc2oc(=O)[nH]c2c1 286799437 VUZZCAVOUINJKV-UHFFFAOYSA-N 306.278 -0.192 50 20 DBGD COC(=O)COCC(=O)NNc1nc(-c2ccncc2)no1 287409535 NDVYEUWBYIMGRH-UHFFFAOYSA-N 307.266 -0.236 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H]2C[C@H]1C(=O)O2 298509051 VBZPIPJOURHGRE-OLZOCXBDSA-N 317.345 -0.315 50 20 DBGD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCCCCl)C1 372429148 WKFDBJOROLAXHL-SECBINFHSA-N 318.848 -0.041 50 20 DBGD O=C(NCc1nncn1C1CC1)c1ccc(B(O)O)c(F)c1 584941261 HKABJUMQZLBOON-UHFFFAOYSA-N 304.090 -0.638 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@]2(CCCOC2)O1 584984795 ZDTXDAIZUDSCSQ-LRDDRELGSA-N 319.166 -0.224 50 20 DBGD N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCB(O)O 585056004 MTFZTBIJPLCTJU-UHFFFAOYSA-N 308.046 -0.133 50 20 DBGD CN(CCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C(=O)O 737416663 CMXKLCBPEAWAAG-SNVBAGLBSA-N 321.399 -0.131 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1cccc([N+](=O)[O-])c1C)C(N)=O 748673435 KTDLJQNFSBNRIX-JTQLQIEISA-N 323.309 -0.274 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)no1 763996289 PDMDWDCHGVIDKY-MRVPVSSYSA-N 315.351 -0.006 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(=O)OC)no1 772259121 PUJIEKFEZHSKJZ-LURJTMIESA-N 313.266 -0.436 50 20 DBGD CCC(=O)NNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 775704591 CHQKHXSQPZLODH-SNVBAGLBSA-N 319.321 0.000 50 20 DBGD O=C(CNC1(CO)CCOCC1)NNC(=O)c1cccs1 777578521 LJDIZKYGWPIBCV-UHFFFAOYSA-N 313.379 -0.360 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 816829531 VBASLYLGBLETDR-JHJVBQTASA-N 306.318 -0.831 50 20 DBGD CN(C)c1nccc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 825887923 LSVZAKWFICIEHS-UHFFFAOYSA-N 314.313 -0.192 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCS(C)(=O)=O 827289421 SSLUWEWTTVWRMX-IUCAKERBSA-N 307.372 -0.871 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1 831988765 SXIKPTMPFCOPNO-YFKPBYRVSA-N 322.778 -0.517 50 20 DBGD O=C(O)Nc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1 832838599 KJGOTTOKJGJZRC-SNVBAGLBSA-N 309.278 -0.047 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843974105 MZOMOBHIASFNBQ-MNOVXSKESA-N 314.386 -0.985 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)c1cccnc1 845071100 APAUVMOKDNCOLQ-UHFFFAOYSA-N 316.321 -0.763 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1ncncc1F 846216545 SGDUWFYTTLDICH-UHFFFAOYSA-N 307.289 -0.547 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc3nc(O)[nH]c23)CC1 854383217 YVEPRBRQTHOKRJ-UHFFFAOYSA-N 318.337 -0.130 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCSC(F)(F)F)N1 858152839 BEBHSIHVVOLMAU-RXMQYKEDSA-N 314.289 -0.152 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cccn1C 858165960 UPKMKZYIYNGDRP-QMMMGPOBSA-N 313.383 -0.424 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)N1 858318670 SGUICROAMYSQRY-LUTQBAROSA-N 322.365 -0.447 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC3(CCOCC3)CC2)N1 858701443 WVNHQRULWSHAGH-LLVKDONJSA-N 324.381 -0.102 50 20 DBGD CCn1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1=O 861173976 DVWVEBKIGZNKFQ-MRVPVSSYSA-N 307.310 -0.701 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN2CC(F)(F)C[C@H]2C1 863884166 ATIQWUWJFAXHDL-LBPRGKRZSA-N 310.109 -0.468 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCC(=O)N1C 908069513 UXGAHQHSSPIFSW-SNVBAGLBSA-N 315.370 -0.066 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1nc(C2CCC2)cs1 1116844695 CTUAIDJCLSOWAU-UHFFFAOYSA-N 312.351 -0.121 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=S)NCCc2ccccn2)N1 1261829080 CFNDRTRQJHVDQZ-SNVBAGLBSA-N 307.379 -0.602 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(=O)n1C 1319511728 XHPNUKHPWJUKKJ-UHFFFAOYSA-N 308.338 -0.549 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)n1 1319857875 BAVKVNKPMNZJGV-VIFPVBQESA-N 312.351 -0.711 50 20 DBGD Cc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccn1 1322298900 QVRRASJYZZIHKL-JTQLQIEISA-N 312.351 -0.479 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cnn1C 1326048322 SARSNQDBKWJNSL-DTWKUNHWSA-N 309.326 -0.761 50 20 DBGD C[C@H](NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1329058564 BQIQRMKAENIKDD-JGVFFNPUSA-N 317.333 -0.323 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncoc2-c2ccon2)N1 1330515887 HLEYSJLEHQLCSZ-ZETCQYMHSA-N 305.250 -0.631 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1338004175 IAXRDAWBFBWQKU-UHFFFAOYSA-N 308.294 -0.190 50 20 DBGD O=C(NCC(=O)N1CCCC1)NNC(=O)c1cccc(F)n1 1347114874 ZCULTVLASIFUKO-UHFFFAOYSA-N 309.301 -0.213 50 20 DBGD CN[C@H](CC(C)(C)C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1578589540 CFAZSFMTCWESKA-VHSXEESVSA-N 319.427 -0.407 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ccc(C(=O)O)cn2)C1=O 1598550807 AABCIXLRMOCOQD-UHFFFAOYSA-N 307.266 -0.883 50 20 DBGD CCC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841667645 DUQFLIPBZRSDKU-QWRGUYRKSA-N 316.833 -0.117 50 20 DBGD CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843349851 CHCFWEPFAMIDIW-UWVGGRQHSA-N 302.806 -0.507 50 20 DBGD CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)CCCCl)C1 37842653 SDMFQQKYPHPHHB-SECBINFHSA-N 318.848 -0.041 50 20 DBGD CCCN(NC(=O)[C@H](CO)NC(N)=O)C(=O)OC(C)(C)C 286448193 JFLZYYYXJWOJFL-QMMMGPOBSA-N 304.347 -0.306 50 20 DBGD CC(=O)Nc1cccc(NNC(=O)CN2CCOCC2=O)c1 293922951 MBSZHGVJRNRXQY-UHFFFAOYSA-N 306.322 -0.053 50 20 DBGD CC(C)NC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 299308461 RQJUCVMKLIZMHG-AOOOYVTPSA-N 310.354 -0.100 50 20 DBGD CCOC(=O)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 495776260 VMHGYZOLWWTLGV-UHFFFAOYSA-N 303.315 -0.388 50 20 DBGD CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584936592 LCDOZWGYFUDOQG-SNVBAGLBSA-N 322.145 -0.506 50 20 DBGD CN(C)C(=O)[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585002201 PXHUDZLHDHWEOJ-JTQLQIEISA-N 308.118 -0.944 50 20 DBGD C[C@@H]1NC(=O)CC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 585002278 SAXWMDKSDXYKIF-DTWKUNHWSA-N 308.118 -0.850 50 20 DBGD CCN1CCN([C@H](C)CNCc2ccccc2B(O)O)CC1 585016194 TUOVJYMFRIQNNQ-CQSZACIVSA-N 305.231 -0.518 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 585070286 YMPMOJLXGTYBMA-SNVBAGLBSA-N 312.156 -0.716 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)O)cc1C(=O)N(C)C 738061298 RQNPNBDINHLWDS-UHFFFAOYSA-N 317.323 -0.142 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1cc(Cl)nc(N)n1 753450710 WLINKBCIJKMLPR-UHFFFAOYSA-N 308.751 -0.905 50 20 DBGD CC[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N(C)C 754476137 UREJYIPYBQLOIG-LLVKDONJSA-N 307.354 -0.701 50 20 DBGD Cc1nnc(NNC(=O)[C@@H](C)n2nnnc2C(C)(C)C)nc1O 757737261 VBHZWMUPWNBSJI-SSDOTTSWSA-N 321.345 -0.126 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cccn2)c1 764295225 KWZGGPKUHLTMRB-UHFFFAOYSA-N 317.305 -0.395 50 20 DBGD O=C(CN1CCN2C(=O)CC[C@H]2C1)NNC(=O)c1cccs1 766273191 WHQMEDFTRWOJKD-JTQLQIEISA-N 322.390 -0.184 50 20 DBGD CCOC(=O)C1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1 770972685 UVRKGFCQSRMDMJ-UHFFFAOYSA-N 320.309 -0.145 50 20 DBGD CCOCCOC[C@H](O)CNS(=O)(=O)CBr 790945409 OSNJULKFHQFSAB-MRVPVSSYSA-N 320.205 -0.328 50 20 DBGD CC[C@@](C)(OC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 797711151 FSUXEYDQGGAPEL-LDYMZIIASA-N 307.372 -0.681 50 20 DBGD CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NNc1ncccn1 798158488 LKCJQJPDSZJTMJ-VIFPVBQESA-N 308.342 -0.674 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)N=c1cc[nH]cc1 802022615 DMMIBGGBGZBJDL-MRVPVSSYSA-N 300.340 -0.663 50 20 DBGD COC1(C(=O)NNC(=O)N2CCN(C)CC2)CCOCC1 807382152 ZEAUMSAGPAZJRI-UHFFFAOYSA-N 300.359 -0.830 50 20 DBGD CC(C)CC(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807955130 OBCKTJHSSJVSRB-UHFFFAOYSA-N 309.370 -0.354 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)C1CCC1 815551702 FIPHDBQKYPDARU-PHIMTYICSA-N 305.334 -0.115 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 820605369 NEVGZDRIZQGGKJ-LBPRGKRZSA-N 300.318 -0.030 50 20 DBGD CN1C[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O 821621896 KOWQLQSEWXFCED-JTQLQIEISA-N 316.325 -0.277 50 20 DBGD CCCNC(=O)NNC(=O)c1sccc1S(N)(=O)=O 823951897 VNLZGYAQKXPYGM-UHFFFAOYSA-N 306.369 -0.251 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 833778419 DBPXSPISHMAKSE-UWVGGRQHSA-N 300.359 -0.070 50 20 DBGD COC(=O)c1ccccc1NNC(=O)[C@@H]1CCS(=O)(=O)N1 845915841 TUPGHOZIQNKMBK-JTQLQIEISA-N 313.335 -0.392 50 20 DBGD CON1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 846974813 DOWWOQFGLJXNQL-UHFFFAOYSA-N 317.349 -0.502 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CCN2C(=O)CCNC2=S)o1 847555392 XMMWXLDYSVKCQO-UHFFFAOYSA-N 324.362 -0.154 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2nn[nH]c2n1 854385701 CGFSOKFHUUTTLO-UHFFFAOYSA-N 322.325 -0.097 50 20 DBGD Cc1cccc(O)c1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 858173680 FLZPPNMQRHTFGY-VIFPVBQESA-N 312.347 -0.104 50 20 DBGD CCOC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 858367965 ZVBGKEXNTBJNIS-SECBINFHSA-N 310.314 -0.416 50 20 DBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNc2ncncc2F)C1 861817197 LCNFXDGFEDSBOR-QMMMGPOBSA-N 317.346 -0.270 50 20 DBGD Cc1cccc(F)c1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863411993 DWVGGTPOXMIQGB-VIFPVBQESA-N 315.326 -0.278 50 20 DBGD CCc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1O 863464320 LJZXQVWKEWSUKW-UHFFFAOYSA-N 300.336 -0.240 50 20 DBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)CS(C)(=O)=O 863465133 UNIHVLNNITVMOI-QMMMGPOBSA-N 321.399 -0.881 50 20 DBGD CC(C)(C)c1n[nH]cc1C(=O)NNC(=O)CS(C)(=O)=O 863465366 CQUBXPGSVGXRJC-UHFFFAOYSA-N 302.356 -0.487 50 20 DBGD NC(=O)COc1ccc(NCc2ccc(B(O)O)cc2)cc1 864019337 BJHUATJRKFBAGH-UHFFFAOYSA-N 300.123 -0.157 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CN1 915684835 GYBKQOGFMNVLKJ-CABZTGNLSA-N 319.317 -0.500 50 20 DBGD COCCN1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1 1118859653 CRVXDYHOSWZSRG-UHFFFAOYSA-N 310.358 -0.536 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H](C)N1C(=O)CCC1=O 1319962290 JRSBHJBXWXKBGR-ZETCQYMHSA-N 318.424 -0.618 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNC(=O)CC(F)(F)F 1321769496 UPGFLEKGKOMRAH-UHFFFAOYSA-N 305.278 -0.296 50 20 DBGD C[C@H](O[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(=O)O 1325793748 PEVBZUCFSHIDSZ-YUMQZZPRSA-N 324.337 -0.072 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)c2cccnn2)CC1 1339764599 FMONLANDYCHEOW-UHFFFAOYSA-N 306.370 -0.735 50 20 DBGD CN(N)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1573877222 JGOJAYHTYJAUHG-GMTAPVOTSA-N 317.411 -0.572 50 20 DBGD CS(=O)(=O)SCCNC(=O)C1CC2(CNC[C@@H]2C#N)C1 1579348461 CSUHFAGZYTUIQE-YZRBJQDESA-N 317.436 -0.065 50 20 DBGD COC(OC)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591334929 RXUMWFCHVCDGQZ-UHFFFAOYSA-N 306.282 -0.753 50 20 DBGD CC[C@](COC)(NCC(=O)NNC(=O)C(C)(C)C)C(=O)O 1595193872 CJHBHPARXRUSJF-CYBMUJFWSA-N 303.359 -0.351 50 20 DBGD Cc1cc(=NNC(=O)CN2CCC[C@H](C(=O)O)C2=O)cc[nH]1 1600282564 FWOFWBGKGZUWOK-NSHDSACASA-N 306.322 -0.422 50 20 DBGD O=C(NCc1cc(OCC(F)F)ccn1)NNC(=O)C(=O)O 1601531437 VZJRFPCWMKAAQT-UHFFFAOYSA-N 318.236 -0.360 50 20 DBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)NNC(=O)N2CCOCC2)O1 1602036388 RELSQBXOFJYUEE-VHSXEESVSA-N 315.326 -0.528 50 20 DBGD O=C(C[C@@H]1CCNC1=O)NNc1ccc(-c2nn[nH]n2)cn1 1606503861 KEYZBJUMTGAOCG-ZETCQYMHSA-N 302.298 -0.769 50 20 DBGD CCNC(=O)NNC(=O)CCn1nnc2ccccc2c1=O 65190516 PNOXYZQTRUYZEV-UHFFFAOYSA-N 304.310 -0.468 50 20 DBGD O=C(CN1CCS(=O)CC1)NNC(=O)c1ccc(F)cc1 111222970 HXSGAPHGZWISIC-UHFFFAOYSA-N 313.354 -0.349 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)c1cccn1C 161528829 CUJRUGKREAODDS-UHFFFAOYSA-N 304.306 -0.338 50 20 DBGD CC(C)CC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266284830 WVVJVBGGZFXRKF-RQSQLSILSA-N 323.349 -0.658 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)COCc2ccccc2)C1 266832427 IPOTWYZRXIBGCY-CYBMUJFWSA-N 307.350 -0.319 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)F)c1ccccn1 274545609 GGHVIGQAPNTWSX-SNVBAGLBSA-N 314.292 -0.192 50 20 DBGD CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)C(C)(C)O 276173300 BPJKYAFJDUGDFN-SNVBAGLBSA-N 311.338 -0.048 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1cnc2ccccc2c1=O 278025142 UBNQTLBHHHBZMT-UHFFFAOYSA-N 304.306 -0.685 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)[C@@H]1CCCO1 294647502 MPXIOJKAEFTDTG-NSHDSACASA-N 309.322 -0.421 50 20 DBGD O=C(CCNC(=O)c1ccco1)NNC(=O)N1CCOCC1 299373583 LLHHLKDNJZTPHQ-UHFFFAOYSA-N 310.310 -0.528 50 20 DBGD C[C@@H](CCN1CCOCC1)NC(=O)c1cc(B(O)O)ccc1F 584944794 NDSYQDPNFRUREI-NSHDSACASA-N 324.161 -0.654 50 20 DBGD C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cccc(B(O)O)c1 584976005 IFOLEQWUTHBJLC-SNVBAGLBSA-N 306.171 -0.258 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(OCC#N)c1 728435044 UHYHCMDNIKIFAD-SNVBAGLBSA-N 324.362 -0.023 50 20 DBGD C[C@]1(NNC(=O)NC[C@@]2(C)CCCO2)CCS(=O)(=O)C1 756084309 KRANYCCJNFWYTN-NWDGAFQWSA-N 305.400 -0.064 50 20 DBGD COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)C1CC1 763558733 WAFVVUWWYUCXSM-UHFFFAOYSA-N 305.290 -0.031 50 20 DBGD CCNC(=O)CC(=O)OCC(=O)NNC(=O)c1cccs1 782344568 KJTFBHIEQNQUCM-UHFFFAOYSA-N 313.335 -0.422 50 20 DBGD COC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)[C@H]1CCCO1 789381687 GROBJFVHDBAHRE-GHMZBOCLSA-N 301.387 -0.037 50 20 DBGD O=C(NN=C1CC(=O)N2CCCC[C@@H]12)[C@H]1CCS(=O)(=O)C1 799475179 XYCUMOIYVTVSLA-ONGXEEELSA-N 313.379 -0.322 50 20 DBGD Cn1nncc1NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 816769038 RKPATESBSWJNBT-NXEZZACHSA-N 320.353 -0.177 50 20 DBGD O=C(COc1ccc(CO)cc1)NNC(=O)C(=O)N1CCCC1 824876696 DLIFVGWUZIKVFU-UHFFFAOYSA-N 321.333 -0.673 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O 844146117 JEUDYSJLKXIEHI-SVRRBLITSA-N 310.266 -0.119 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 855825514 FFYMFWMLDQEVPO-RKDXNWHRSA-N 314.342 -0.259 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1C 858533777 XJYVHUGIIWSHHU-LLVKDONJSA-N 305.338 -0.193 50 20 DBGD CN(C)c1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860912769 DOXYMDAXMCRUEZ-MRVPVSSYSA-N 306.326 -0.421 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnn1CCN(C)C 911501942 BAWFTHVHDNJUFI-GHMZBOCLSA-N 309.370 -0.369 50 20 DBGD O=C(CCO)NN=Cc1ccc(C=NNC(=O)CCO)cc1 1318930690 DQTGFZCZDYECMD-UHFFFAOYSA-N 306.322 -0.648 50 20 DBGD CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)S(C)(=O)=O 1319003132 UDKJEVKIIXAIGE-UHFFFAOYSA-N 302.356 -0.218 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(C)=O)cc(OC)c1OC 1320510513 NZYLNFKHGCPADE-UHFFFAOYSA-N 311.294 -0.182 50 20 DBGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(O)nn1 1326249768 SJUXXJBKNWUVPS-UHFFFAOYSA-N 314.305 -0.153 50 20 DBGD O=C(NNC(=O)c1ccnn1CC(F)F)C(=O)N1CCCC1 1326759473 UHDWENBGYRQUPB-UHFFFAOYSA-N 315.280 -0.468 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNCC(F)(F)C(F)(F)F)C(N)=O 1329111527 SCETXVIKROHVRN-YFKPBYRVSA-N 320.218 -0.815 50 20 DBGD C[C@H]1CCCN(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1329980428 XGPLIQAOHYBJOV-WDEREUQCSA-N 311.386 -0.673 50 20 DBGD N#Cc1cnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(Cl)c1 1335419426 SYXIQTODISAVPF-QMMMGPOBSA-N 307.697 -0.354 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1ccc2c(=O)[nH]ccc2c1 1341062893 AHAXBGSLUNEKHJ-UHFFFAOYSA-N 315.289 -0.477 50 20 DBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CC1CC1 1343915706 IOAQHIYWUFMEAF-UHFFFAOYSA-N 323.309 -0.907 50 20 DBGD O=S(=O)(c1[nH]cnc1Br)N1CC[C@@H](B(O)O)C1 1348490045 LDRVFCFYIBUAGI-RXMQYKEDSA-N 323.965 -0.590 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cncc(-c3cnn[nH]3)c2)nn1 1577653299 QKCHMAWRIOLIQY-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD COCC[C@@H](N)C(=O)NNC(=O)c1ccc(OC)c(OC)c1 1578997304 BIDIOEXGFHBHEA-SNVBAGLBSA-N 311.338 -0.171 50 20 DBGD N[C@@H]1CCO[C@@H]1C(=O)NNC(=O)c1cc(Br)c[nH]1 1580383866 MNOUBQMPWXHVAQ-SVRRBLITSA-N 317.143 -0.346 50 20 DBGD NC(=O)COc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1 32259341 BPIQMAZFTWBTJO-NSHDSACASA-N 307.306 -0.509 50 20 DBGD C[C@H](CNC(=O)NNc1cccnn1)CN1CCN(C)CC1 74656896 DHDFBKARGWXNLG-GFCCVEGCSA-N 307.402 -0.014 50 20 DBGD CC(=O)NNC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 146441861 YVUSXMZABXHLFO-UHFFFAOYSA-N 305.294 -0.089 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=Cc1ccncc1 254295534 PCOQUJNPYAUCOM-UHFFFAOYSA-N 306.307 -0.080 50 20 DBGD COCCS(=O)(=O)NNC(=O)CNC(=O)c1cccs1 265645010 RPCSCUTWRVXRIW-UHFFFAOYSA-N 321.380 -0.925 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)COc2ccc(F)cc2)C1=O 265830320 RXNIZGAWMPBTKT-LLVKDONJSA-N 324.312 -0.234 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2F)O1 268490078 VAKWSYDJGSHJSO-LDYMZIIASA-N 324.312 -0.197 50 20 DBGD CC[S@@](=O)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 278768280 WWGADIUUAOSHFY-OAQYLSRUSA-N 312.347 -0.013 50 20 DBGD COC(=O)COCC(=O)NNC(=O)COc1ccc(C)cc1 287267281 UVOJPDUAUNSBQE-UHFFFAOYSA-N 310.306 -0.289 50 20 DBGD O=C(CC1CC1)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 294262000 UKTSLURGRIMOEY-UHFFFAOYSA-N 324.362 -0.569 50 20 DBGD O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(B(O)O)c(F)c1 584987819 VIRKGVJQWAINSB-QWHCGFSZSA-N 320.129 -0.611 50 20 DBGD O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(B(O)O)ccc1F 584997313 AOMMVMXRJBNUQM-GXFFZTMASA-N 320.129 -0.611 50 20 DBGD COc1cc(CNCc2ccc(B(O)O)o2)ccc1OCCO 585017218 PWJUSGVGVGILRE-UHFFFAOYSA-N 321.138 -0.371 50 20 DBGD CCOc1ccc(S(=O)(=O)NCB(O)O)cc1OCC 585054872 SGONONGNHHVKPD-UHFFFAOYSA-N 303.145 -0.226 50 20 DBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(C)=O 729510013 OABFZOWJCPJDNF-LLVKDONJSA-N 303.326 -0.558 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCN(CC2CC2)C1 739033797 CNYXSHOIOBKNQI-NSHDSACASA-N 309.370 -0.920 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 741895758 VANAPXJEAHNPHE-CMPLNLGQSA-N 308.359 -0.092 50 20 DBGD O=C(CSc1nnnn1Cc1ccco1)NNC(=O)C1CC1 742452218 KVDQTSNAGARBRL-UHFFFAOYSA-N 322.350 -0.036 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)Cn1cccn1 748455813 BUSCFZOUVMSTBR-LLVKDONJSA-N 322.369 -0.528 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN2CCCC[C@H]12 748461030 NUQCOAQSGGWZQS-VXGBXAGGSA-N 323.397 -0.434 50 20 DBGD CCCc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)co1 759387701 JMTSUEFKSIZMFM-QMMMGPOBSA-N 315.351 -0.177 50 20 DBGD COC(=O)[C@H]1[C@H](O)CCCN1S(=O)(=O)CBr 780899762 WVUYYQTVSKDZDZ-RNFRBKRXSA-N 316.173 -0.333 50 20 DBGD Cn1cc(C(=O)NN[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 784070060 BGAVEWVLXNFKTE-GFCCVEGCSA-N 305.313 -0.110 50 20 DBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 795081403 QSDNPXCAZIOBFR-XHNCKOQMSA-N 309.388 -0.867 50 20 DBGD CN(C)C(=O)NNC(=O)Cn1c(S)nc2ccccc2c1=O 799591635 UDOIADXRWNNXBU-UHFFFAOYSA-N 321.362 -0.012 50 20 DBGD CN(CC(=O)NNc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 804219939 UOWWZRMXXGUAJZ-SECBINFHSA-N 316.358 -0.217 50 20 DBGD COc1ccnc(NNC(=O)[C@@H]2CCc3nnn(C)c3C2)n1 810089854 AGXHXDVTCHHMRF-MRVPVSSYSA-N 303.326 -0.138 50 20 DBGD C[C@H](C(=O)NN(C)C1CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 819648926 XOAOXIQTKZJTLH-RPWYLVQBSA-N 307.350 -0.337 50 20 DBGD CNC(=O)CCCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827280280 AZGQAAXTRPUZMI-NXEZZACHSA-N 300.359 -0.390 50 20 DBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)[C@@H]1COCCO1 832846367 ZLHISZCBJDZPEM-QMMMGPOBSA-N 311.294 -0.494 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@H]2CNCCCO2)n1 842003043 DOWJYSCJODVYDA-SNVBAGLBSA-N 310.358 -0.202 50 20 DBGD NC1(CNCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 843368821 ZLRFURICIJRFKX-UHFFFAOYSA-N 321.337 -0.173 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)nn12 843642425 WNMIDTZKPJHGEY-IUCAKERBSA-N 304.310 -0.381 50 20 DBGD Cc1cc(NNC(=O)Cn2nc3n(c2=O)CCCC3)nc(C)n1 846635793 VYACXLHEKVOEGX-UHFFFAOYSA-N 317.353 -0.069 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCNC2=O)c1 854201758 SLNVOGGRVTVARL-NSHDSACASA-N 307.306 -0.399 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccc(C(N)=O)[nH]1 858163832 LADNIXLOZYTXPZ-UHFFFAOYSA-N 313.383 -0.399 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 858571676 JCPIXARYMQAGST-YIZRAAEISA-N 302.331 -0.850 50 20 DBGD COC(=O)c1cnn(CC(=O)NNc2nc(C)cc(OC)n2)c1 859796873 TYFSRDKMIYLKIO-UHFFFAOYSA-N 320.309 -0.080 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cnc(C3CC3)nc2)N1 860599148 XLBBJKIZLCEQMP-VIFPVBQESA-N 304.310 -0.215 50 20 DBGD C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456307 OCXNEVKTZJDFPM-XAGWURHQSA-N 319.361 -0.033 50 20 DBGD Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CS(C)(=O)=O 863460717 JQJFUTWMWSIJLZ-UHFFFAOYSA-N 315.307 -0.291 50 20 DBGD O=C(/C=C/CN1CCOCC1)NNC(=O)Cc1cccnc1 865167561 QLYJCRKEDXXWRT-DUXPYHPUSA-N 304.350 -0.340 50 20 DBGD CO[C@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCO1 878966500 GMOMZSVXMFPRFU-CYBMUJFWSA-N 311.313 -0.109 50 20 DBGD COC(OC)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 895511572 VVEYKCANMIOIIH-NXEZZACHSA-N 303.359 -0.748 50 20 DBGD C[C@@H](CC[S@](C)=O)NC(=O)c1cc(B(O)O)ccc1F 900877107 CSNDDOQEKQSCNL-FHZGZLOMSA-N 301.148 -0.608 50 20 DBGD COC[C@@H](C)NC(=S)NNC(=O)CCN1CCOCC1 1115813423 NNJOVIWBVADYRZ-SNVBAGLBSA-N 304.416 -0.761 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1=O 1318909440 GSRNYCNTGNOVHH-NSHDSACASA-N 319.365 -0.128 50 20 DBGD CCS(=O)(=O)CC(=O)NNc1cccc(S(C)(=O)=O)c1 1320081283 PLJXQTOZYDDUTF-UHFFFAOYSA-N 320.392 -0.032 50 20 DBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1325940388 IDUBLBQROZHDRE-NXEZZACHSA-N 301.368 -0.418 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)CC2 1326495925 FAHVRMNHWPRDKA-SNVBAGLBSA-N 302.338 -0.133 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)Cn1cccn1 1328771310 MEDWSVUAMOPVTQ-ZJUUUORDSA-N 308.342 -0.872 50 20 DBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1 1333113270 UPLPCEFPYGHFEP-GFCCVEGCSA-N 319.365 -0.035 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCN1CC(C)C 1336599489 JEIRDJUDTKZASN-LBPRGKRZSA-N 301.387 -0.083 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ccccc1F)N1CCNCC1=O 1575072638 VWPWDPZMOFQJHM-VIFPVBQESA-N 308.313 -0.593 50 20 DBGD COC[C@H](N)C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1579087071 XMZZCLUNBYHISL-IUCAKERBSA-N 316.358 -0.883 50 20 DBGD Cc1cn(CC(=O)NNC(=O)NCCN)nc1C(F)(F)F 1579819669 YFZGLOLNIWOQMU-UHFFFAOYSA-N 308.264 -0.501 50 20 DBGD CC(C)(NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 1588795015 FUHBZIFVFQWNCT-UHFFFAOYSA-N 324.293 -0.191 50 20 DBGD C[C@H](C[S@@](C)=O)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1589888431 LVAGIKRNBVRWEO-CGQWYARDSA-N 324.370 -0.345 50 20 DBGD O=C(O)C1CC2(CC[C@H](CNCc3cccc(B(O)O)c3)O2)C1 1594904926 JCILKASHVFBAIF-CXOJTPOUSA-N 319.166 -0.132 50 20 DBGD CN(C)N(C(=O)c1cc(C(=O)O)on1)[C@@H]1CCS(=O)(=O)C1 1598257482 MJYUYQFBSCMHBM-SSDOTTSWSA-N 317.323 -0.521 50 20 DBGD CN(NC(=O)CN1CCC[C@H](C(=O)O)C1=O)c1ccccn1 1606179073 BUOLKUIAVIXNNO-JTQLQIEISA-N 306.322 -0.128 50 20 DBGD O=C(COc1ccccc1)NCC(=O)NNC(=O)[C@@H]1CCCO1 43108960 XANICQNSBRRHRS-LBPRGKRZSA-N 321.333 -0.492 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cnn(C)c1 117679351 SAZQHHFFAGPEMZ-LLVKDONJSA-N 307.354 -0.028 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1 266759419 FWBVZKONSMUTFV-LBPRGKRZSA-N 311.313 -0.318 50 20 DBGD CCS(=O)(=O)CC(=O)NNc1ccc(C(=O)OC)cn1 270387742 RBQFHVJTARXGGR-UHFFFAOYSA-N 301.324 -0.254 50 20 DBGD COC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)Cn1nc(C)cc1C 285213245 WXVPQOPLSBDRNC-MNOVXSKESA-N 308.338 -0.153 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 288025568 QGHKXNGWGUXFLT-UHFFFAOYSA-N 319.321 -0.277 50 20 DBGD CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)CCCCl)C1 400103311 BTLIDLSDBLFIMZ-SECBINFHSA-N 318.848 -0.041 50 20 DBGD CN(CCCn1ccnc1)C(=O)c1ccc(B(O)O)c(F)c1 584962883 LSUFWTFJCOFJIY-UHFFFAOYSA-N 305.118 -0.136 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@@H](c2ncon2)C1 584972773 GWJMWZCZUMYRAM-LLVKDONJSA-N 321.073 -0.898 50 20 DBGD CC(=O)NC1CCC(N(C)C(=O)c2ccc(B(O)O)cc2)CC1 584976926 VTFZUBKUCIPYKD-UHFFFAOYSA-N 318.182 -0.114 50 20 DBGD O=C1CC[C@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@H]2N1 585007380 LIHCRBBOUPTILP-WCQYABFASA-N 302.139 -0.893 50 20 DBGD CC(C)C(=O)NNC(=O)NNC(=O)CNC(=O)c1ccco1 725871543 MZZQCZZILHNELY-UHFFFAOYSA-N 311.298 -0.973 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)NCCn1cncn1 726710379 WZVDGCSZZDIADT-UHFFFAOYSA-N 322.300 -0.173 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)COc1ccccc1O 730902458 FWSKWANZDJRUEV-UHFFFAOYSA-N 310.310 -0.763 50 20 DBGD COCCn1cc(S(=O)(=O)NNC(=O)C2CCC2)cn1 747791172 RRNOWRDCIFYNLC-UHFFFAOYSA-N 302.356 -0.361 50 20 DBGD NC(=O)c1ccc(C(=O)NNc2cc(Cl)nc(N)n2)nc1 753451843 MDDDBEIHVYKEKB-UHFFFAOYSA-N 307.701 -0.037 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2n[nH]cc2C1 757020251 CDNOIROCJQGVHK-SECBINFHSA-N 321.381 -0.033 50 20 DBGD C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)[C@H]1CN(C)CCO1 770437787 MGNOXNMXFZQOFX-HTQZYQBOSA-N 312.292 -0.012 50 20 DBGD O=C(COC(F)F)NNC(=O)c1ccc(-n2cnnn2)cc1 794620794 WYWOOOUDYZJYRS-UHFFFAOYSA-N 312.236 -0.338 50 20 DBGD CN(C)CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812728780 ZGYDXCKHPJCIIV-UHFFFAOYSA-N 300.384 -0.058 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NN=C1C(=O)NC(=O)NC1=O 814215769 VNWJZHDQQCYHPX-LURJTMIESA-N 322.252 -0.569 50 20 DBGD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNc1nc[nH]n1 816633061 LRQALWSZRUEJFQ-UHFFFAOYSA-N 319.281 -0.024 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)c1ccccc1 816816854 KKAIELNQBBLWJX-UHFFFAOYSA-N 320.374 -0.056 50 20 DBGD CC[C@H]1CN([C@@H](CC)C(=O)NNC(=O)C(C)(C)O)CCO1 830696049 ACVACUKGZXUKRZ-QWRGUYRKSA-N 301.387 -0.206 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](CN)C1CCCC1 841985132 JVJQUWUCLOUJHF-ZYHUDNBSSA-N 316.402 -0.114 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1[nH]c(O)nc1C 854286668 WLPSPFGAMCYUMT-UHFFFAOYSA-N 301.372 -0.089 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CO)N1Cc2ccccc2C1=O 857170812 SRCNOODMAWPOLB-ZDUSSCGKSA-N 305.334 -0.193 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H](O)c2ccc(F)cc2)N1 858694481 POKHTOBPWBCGJR-GHMZBOCLSA-N 324.312 -0.532 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC=O)C(C)C 860382948 QRIANWRSAMDPJE-PWSUYJOCSA-N 315.370 -0.118 50 20 DBGD COc1cc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1C 862449686 JBZKRSPSMKKZDV-LLVKDONJSA-N 305.334 -0.028 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 921021330 ROGVMEZWYDSIFN-UHFFFAOYSA-N 317.371 -0.713 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)C[C@@H]3CCCC(=O)N3)nc21 1261179336 HYBKGMOLRDBCAQ-ZETCQYMHSA-N 319.325 -0.429 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)C[C@H]2CCS(=O)(=O)C2)n1 1319912622 PTARUUAMLCIIIE-ZCFIWIBFSA-N 319.774 -0.020 50 20 DBGD COCCOc1ccc(NC(=O)C(=O)NNC(C)=O)cc1F 1320224382 PNAYNGLCNPRNOT-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1cn2c(n1)SCC2 1320617877 CFLASXLHFFMKDS-UHFFFAOYSA-N 313.339 -0.965 50 20 DBGD O=C(CCC1CCOCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1329669659 MKRHRXONUHHONE-NSHDSACASA-N 318.395 -0.225 50 20 DBGD CCOC(=O)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 1335409192 UKZNTXLUEMQHHJ-LBPRGKRZSA-N 309.102 -0.423 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1573372562 WNHRLGVNDHSMMH-YUMQZZPRSA-N 315.326 -0.136 50 20 DBGD O=C(NNC(=O)[C@@]1(F)CCNC1)c1nnc(O)c2ccccc12 1574333626 FPSAQASHEVLUEW-CQSZACIVSA-N 319.296 -0.202 50 20 DBGD N[C@@H]1CCCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1580367906 BZJIUMROUZNFHF-GARJFASQSA-N 317.411 -0.524 50 20 DBGD O=C1COc2cc(C(=O)NNC(=O)[C@H]3CCN3)c(Cl)cc2N1 1580850125 QGIBFRBBYOTQSI-MRVPVSSYSA-N 324.724 -0.206 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCS(=O)(=O)C1 1593164687 MPIKPOPMYXMRDP-QMMMGPOBSA-N 323.338 -0.861 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC[C@@H]2SCCS[C@H]21 1601553106 UNOJRBXCVPAVHC-VQVTYTSYSA-N 305.381 -0.219 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCN(C(C)(C)C(=O)O)CC1 1603706265 QBJVXAPKQMTKIR-UHFFFAOYSA-N 314.386 -0.729 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@]1(C(=O)O)CCCO1 1605702845 IRFBEOWUQBDFRE-AWEZNQCLSA-N 324.289 -0.448 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc3[nH]c(=O)oc23)cn1 152500656 PHDBIWWJIYYXFV-UHFFFAOYSA-N 301.262 -0.071 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 270549490 ZOUGYQOWWSJXNZ-MRVPVSSYSA-N 312.301 -0.331 50 20 DBGD Cc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)C(C)(C)O)[nH]n1 277850807 AVJHLENUTADAIS-UHFFFAOYSA-N 320.353 -0.041 50 20 DBGD COC(=O)NNC(=O)CNC(=O)c1cc(OC)cc(OC)c1 298316478 WQKVKQDVJQAFND-UHFFFAOYSA-N 311.294 -0.179 50 20 DBGD CCOC(=O)NNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 495326456 LGOIVIRJCCBTEH-UHFFFAOYSA-N 315.355 -0.027 50 20 DBGD CCOC(=O)NNC(=O)CNS(=O)(=O)c1cccs1 496784220 IIOIJDBIEOAMFE-UHFFFAOYSA-N 307.353 -0.196 50 20 DBGD CNC(=O)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584945215 HPNYPPAZOAORGU-SECBINFHSA-N 308.118 -0.896 50 20 DBGD O=C(Cc1cccc(F)c1)NCCNCc1ccc(B(O)O)o1 585016099 GYUJTVQQCAKADG-UHFFFAOYSA-N 320.129 -0.453 50 20 DBGD CCOc1ccccc1[C@@](N)(C(=O)NCB(O)O)C(F)(F)F 585073361 KNHILAAJEIDVJK-LLVKDONJSA-N 320.076 -0.070 50 20 DBGD CNC(=O)CN1CCC(NC(=O)NNc2ccc(C)nn2)CC1 730026189 JYMSWHIIEQOZCG-UHFFFAOYSA-N 321.385 -0.378 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(C#N)c1 746846375 AOGNLTDJPSZBOZ-VIFPVBQESA-N 309.347 0.000 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N(C)C 758831277 FCUCETKKUFSVGA-LLVKDONJSA-N 307.354 -0.246 50 20 DBGD CC[C@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764421304 LLHYXSCHTVBKAQ-VIFPVBQESA-N 309.322 -0.058 50 20 DBGD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)CO 777781642 DBWZRGMGMCTCDI-ZDUSSCGKSA-N 318.333 -0.645 50 20 DBGD CC(C)CN1CCN(CC(=O)NNC(=O)C2CC2)[C@H](C)C1=O 778264641 GRBDZMHCZWUODF-LLVKDONJSA-N 310.398 -0.268 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CCOC1 778708208 IHNMFYNBSXMLIX-MRVPVSSYSA-N 302.331 -0.370 50 20 DBGD COc1ccccc1C(=O)NCC(=O)NNc1cnnn1C 816771417 LVZGXGFHHOZQQD-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 819826609 LJNZNGBDGXGXQB-UHFFFAOYSA-N 304.266 -0.809 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843972510 AVORIDYIPLUJMF-NXEZZACHSA-N 321.399 -0.770 50 20 DBGD Cc1cc(C(=O)NNC(=O)C2(n3cnnn3)CCCCC2)n[nH]1 845903137 LUQSRXQWNLPDAA-UHFFFAOYSA-N 318.341 -0.175 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CCn2ncn(C)c2=O)n1 848371194 JDJKANCYVXLVBW-UHFFFAOYSA-N 311.733 -0.133 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 854181048 RMCVJEGNUZCUMK-MFKMUULPSA-N 319.317 -0.405 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CC(F)(F)F 855000119 BJEHYGMJXJGUBQ-YFKPBYRVSA-N 305.278 -0.586 50 20 DBGD CN1CCCC[C@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858701389 KQWOMMCBRHYIFJ-GHMZBOCLSA-N 311.386 -0.673 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCCN1C1CCCC1 863464094 GQPMGPXMFOQKKF-NSHDSACASA-N 317.411 -0.415 50 20 DBGD CN1CCCN(CCCNC(=O)c2ccc(B(O)O)cc2)CC1 863872425 HHEDAPXFXLAXDI-UHFFFAOYSA-N 319.214 -0.876 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OC1CCCC1 863875706 BJRZOVJJGXLCQS-JTQLQIEISA-N 305.139 -0.030 50 20 DBGD CN(C)C(=O)CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1115887661 GDAWARRACVNGPF-LBPRGKRZSA-N 320.415 -0.764 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(OCC#N)c1 1116620741 JGEDWASPXSPQDL-UHFFFAOYSA-N 319.321 -0.764 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2N)cc1 1322689592 PWDSTUNRXMQFAM-UHFFFAOYSA-N 316.321 -0.290 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1325515109 FNQWOABSPSVCDJ-MRVPVSSYSA-N 308.338 -0.174 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cccc(F)n1 1326361277 KODZTJGTPQFRRP-SFYZADRCSA-N 310.285 -0.268 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NCCOCCF)nc21 1328186401 VAPKAGDJAYMMDE-UHFFFAOYSA-N 313.293 -0.319 50 20 DBGD CCc1nocc1CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328718463 LMMSTNPZGVMTMC-JTQLQIEISA-N 309.326 -0.312 50 20 DBGD Cc1nc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)sc1C 1331296964 LQTYNOSMSCFRGU-QMMMGPOBSA-N 311.367 -0.131 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549319090 SKWLDPNPWBNKMO-GHMZBOCLSA-N 303.384 -0.614 50 20 DBGD NCC(=O)NNC(=O)c1cnn2cccc(Br)c12 1580213436 JAPQNECEQIOXMX-UHFFFAOYSA-N 312.127 -0.184 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)n1)c1ccnnc1 1593158759 CPDCXNPLKGIQEQ-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H](O)C[C@@H]2C(=O)O)cc1 1600341707 WUMKYCHCDCGQKR-VXGBXAGGSA-N 321.333 -0.724 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1609480285 APQUSNDMIKQMTM-UHFFFAOYSA-N 301.266 -0.127 50 20 DBGD CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722552 CPBBNLGHGKRTBQ-WCQYABFASA-N 320.773 -0.938 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 139182839 DDYGXOVZXHOKPK-UHFFFAOYSA-N 304.328 -0.506 50 20 DBGD C[C@H](C(=O)NNC(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 263726943 SUBMBQYWGHTBTC-GFCCVEGCSA-N 315.377 -0.045 50 20 DBGD COC(=O)[C@]1(NCC(=O)NNC(=O)c2ccccc2)CCOC1 272204570 BXMRMSCJUKZRAH-HNNXBMFYSA-N 321.333 -0.631 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccn1 273475453 SSEVHSHWORTCBH-MRVPVSSYSA-N 315.355 -0.520 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c1 276668126 UNHWSVUVUMCLDA-RYUDHWBXSA-N 321.333 -0.446 50 20 DBGD CC(C)CN1N=C(C(=O)NNc2nccn(C)c2=O)CCC1=O 373234579 MJUXFQJLSNXDKD-UHFFFAOYSA-N 320.353 -0.142 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 495625031 IUFONWMUJPKHIO-UHFFFAOYSA-N 305.287 -0.184 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](n2cncn2)C1 584973129 APPNCJVDSDWSRH-JTQLQIEISA-N 304.090 -0.816 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@H]2N1 585008165 UFGJJLCEXBEPHX-DGCLKSJQSA-N 302.139 -0.893 50 20 DBGD CCOCCOC[C@H](O)CNCc1ccc(B(O)O)cc1F 585038307 ZKSYQGULUMVYFT-CYBMUJFWSA-N 315.150 -0.991 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCOC1 748619610 TXCOPQICQJSWGJ-GHMZBOCLSA-N 303.359 -0.205 50 20 DBGD Cc1cnn(CC(=O)NNc2nccc(N3CCOCC3)n2)c1 762848177 NYKPUHDAJVMQJD-UHFFFAOYSA-N 317.353 -0.039 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 763444586 VENVGPPGMKHFGH-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD C[C@H](O)CN1CCN(S(=O)(=O)CBr)CC1 778091417 FMSFJLNQAGLKQU-QMMMGPOBSA-N 301.206 -0.333 50 20 DBGD Cc1cc(S(N)(=O)=O)cc(C(=O)NN(C)C(N)=O)c1C 778415861 TXTLVOUTRZBFEO-UHFFFAOYSA-N 300.340 -0.394 50 20 DBGD O=C(CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)NNC(=O)C1CC1 815293185 SPPQEQLNIGUDGY-ZFWWWQNUSA-N 311.382 -0.547 50 20 DBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)c1ccc[nH]1 816823627 BCPBQSWZGFMYQQ-UHFFFAOYSA-N 323.334 -0.409 50 20 DBGD CN1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O 826018456 ZOCBDCGMLFARMT-VIFPVBQESA-N 301.310 -0.212 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(Cl)cc1 845073520 UYLKWEZXDQQOQF-VIFPVBQESA-N 317.754 -0.207 50 20 DBGD NC1(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CCCC1 851671366 LUYUFTZNAJNCDV-UHFFFAOYSA-N 323.353 -0.389 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H](O)CCc2ccccc2)CC1 854378744 AHCNXVZRWGMSTC-CQSZACIVSA-N 320.393 -0.032 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1COCCN1CC(F)(F)F 854921702 XIUOHNJVJWHDHT-SSDOTTSWSA-N 314.333 -0.283 50 20 DBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(F)n2)C1 856421847 IBVOTZGXFOBOJA-QMMMGPOBSA-N 309.301 -0.228 50 20 DBGD CC1(C)C[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C(C)(C)O1 858349844 APSLUYWFKQFGSR-DTWKUNHWSA-N 312.370 -0.059 50 20 DBGD CCOC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCO1 858571359 FFKGHMLRCXNRFC-SDDRHHMPSA-N 315.370 -0.111 50 20 DBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(OC)n1 860535682 ALZKWOYOSYROQO-SSDOTTSWSA-N 323.309 -0.470 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNc3cccnn3)CC2=O)cn1 860752402 QUSWIVHOFDCRBE-VIFPVBQESA-N 301.310 -0.294 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)N1 862449906 LWOFRMGWODBTEH-KOLCDFICSA-N 322.365 -0.797 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCCO1 869909237 NUEGILWVXUMZGJ-VXGBXAGGSA-N 318.370 -0.229 50 20 DBGD CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCCCl)C1 882039454 OJDNQSDZWCWMSG-VIFPVBQESA-N 318.848 -0.041 50 20 DBGD Cn1nccc1[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 887585135 WXNQXKFTSGCSRQ-CQSZACIVSA-N 315.138 -0.686 50 20 DBGD CN(NC(=O)OCc1ccccc1)C(=O)CN1CCNC(=O)C1 912836219 UXWNWJQNDIEBPT-UHFFFAOYSA-N 320.349 -0.282 50 20 DBGD Cc1cc(C)nc(NNC(=O)CCCN2C(=O)CNC2=O)n1 914754603 DTCBTXZHBHZQKS-UHFFFAOYSA-N 306.326 -0.131 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCOC[C@H]1CCCO1 915829513 ZMQIFHBLUBQFRV-SNVBAGLBSA-N 301.343 -0.756 50 20 DBGD O=C(NNC(=O)c1nc(Cl)ccc1F)C(=O)NC1CC1 1116398220 PVFFZQWUPHKCFI-UHFFFAOYSA-N 300.677 -0.086 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccc(C#N)cc1 1123631591 XKVKITJZCVKFAY-RISCZKNCSA-N 313.361 -0.292 50 20 DBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)Cc1cccnc1 1321827954 YAVISUSQZXMMDY-UHFFFAOYSA-N 309.351 -0.324 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 1322288305 GBUFJZJMAJJEPA-UHFFFAOYSA-N 302.290 -0.356 50 20 DBGD CCn1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cn1 1323840745 PNDUGSZIZMROHX-LBPRGKRZSA-N 315.399 -0.216 50 20 DBGD CCn1cc(NC(=O)C(=O)NNc2nccc(OC)n2)cn1 1324121015 MLVKCUIETGTFLB-UHFFFAOYSA-N 305.298 -0.217 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCO1 1325965807 UWVDPBFCFLWTEX-IJLUTSLNSA-N 314.386 -0.538 50 20 DBGD C[C@@]1(CNC(=O)C(=O)NCC2CNC2)C[C@H]1Br 1328561098 LPJHSJSRRHCFHY-KCJUWKMLSA-N 304.188 -0.388 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-n3ccnc3)nn2)cn1 1328653050 JUCSHJATZCTGFA-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594689565 XYJBTKYZVOLJMS-LLVKDONJSA-N 305.290 -0.004 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCCCCC1)[C@@H]1COCCO1 1594779007 IBASMBPTFKGHEO-JTQLQIEISA-N 314.338 -0.026 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNc1ncccc1C(=O)O 1605677004 DAJWEALDWDCWGJ-UHFFFAOYSA-N 322.321 -0.138 50 20 DBGD C[C@@H](O)CN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 189353596 XHORJNJYEPVILK-CYBMUJFWSA-N 320.393 -0.554 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H](C(N)=O)O1 268437649 JWHYLMUVZVYIQO-ZYHUDNBSSA-N 320.349 -0.978 50 20 DBGD NC(=O)[C@H]1CSCCN1CC(=O)NNC(=O)c1ccccc1 272283426 QQQMARHVESVXOL-LLVKDONJSA-N 322.390 -0.650 50 20 DBGD Cc1cccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1F 272865222 FTXUBUAHEFZEEY-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)C(C)(C)O)NC1=O 276217335 HUUGEIMIDLLPMX-ZETCQYMHSA-N 307.306 -0.062 50 20 DBGD Cn1c(CC(=O)NNC(=O)[C@@H]2COCCO2)nc2ccccc21 298405543 HRMOHAOMYWXITP-LBPRGKRZSA-N 318.333 -0.321 50 20 DBGD CN(CCI)CCNS(C)(=O)=O 379337638 YPMLOXNRBKNUGC-UHFFFAOYSA-N 306.169 -0.098 50 20 DBGD C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(B(O)O)c1)CS2 404919800 SYPLMIOACCAOPT-RISCZKNCSA-N 320.179 -0.241 50 20 DBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1nc[nH]n1 495207253 LWRWLUXDDCUUPN-UHFFFAOYSA-N 312.330 -0.129 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NN(C)C(=O)OC)C1 495628226 DYHXOOWTAVHSML-VIFPVBQESA-N 307.372 -0.223 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 496199716 KPWQXLLGBSWURY-UHFFFAOYSA-N 301.324 -0.062 50 20 DBGD CN1C[C@@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)CCC1=O 584993634 YOJILOZZQLHFGS-JTQLQIEISA-N 308.118 -0.802 50 20 DBGD CN(C(=O)c1ccc(B(O)O)cc1)C(C)(C)CN1CCOCC1 585001373 WYCPIWKDSNGJRX-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccnc1 729276717 LAZVOLIYJVBWSP-ZETCQYMHSA-N 301.328 -0.828 50 20 DBGD CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)C(N)=O 730945210 AXFHAECFGXNIGW-UHFFFAOYSA-N 302.290 -0.350 50 20 DBGD CN1CC[C@@H](N(C)CC(=O)NNC(=O)c2cccs2)C1=O 738333759 ZKSASYIATYZOBW-SECBINFHSA-N 310.379 -0.328 50 20 DBGD COCCOC[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 745863821 JGXYAIMQDONLFG-CMPLNLGQSA-N 323.415 -0.581 50 20 DBGD Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 765269674 HXCHNOAQYUXRRS-SECBINFHSA-N 312.351 -0.023 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1ccc([N+](=O)[O-])cc1 768243216 HLKYRVXCQLPDCI-UHFFFAOYSA-N 302.312 -0.023 50 20 DBGD O=C(CC(=O)NNC(=O)Cc1cccnc1)NCC(F)(F)F 779663881 RBIFFUWIMFXLBR-UHFFFAOYSA-N 318.255 -0.160 50 20 DBGD Cn1nncc1NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 816771185 BLFQIPPNFYXIIB-UHFFFAOYSA-N 319.281 -0.404 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NCc1ccco1 823794073 XDHQPBRTKLLVIF-QMMMGPOBSA-N 318.355 -0.562 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NN(C)[C@H](C)CO)c1 823946637 LZRNHHNRKODIGS-SSDOTTSWSA-N 307.397 -0.386 50 20 DBGD C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NN(C)C(N)=O 824738520 PSHXPDYZEPCZFQ-ZETCQYMHSA-N 305.298 -0.324 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)C[C@H](OC)C(C)C 842580958 BUEZGBDTXGQJNF-JTQLQIEISA-N 311.404 -0.173 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843979582 OWRURNNRZXGEBE-ZYHUDNBSSA-N 323.349 -0.175 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(F)c1N 848405651 SQYXCEAPYYNZOD-SSDOTTSWSA-N 302.331 -0.204 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2nc[nH]c3nccc2-3)CC1 854381702 QBDHTPXKYIMXLB-UHFFFAOYSA-N 303.326 -0.489 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC[C@@]2(O)C[C@H]3CC[C@H]2C3)N1 858483131 ZKDQEHJHMBHXPI-USXUVBGUSA-N 324.381 -0.463 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2COc3ccccc3C2)N1 858694543 QWSBGJJYQVXVSN-MNOVXSKESA-N 318.333 -0.401 50 20 DBGD O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)[C@H]1CCC(=O)N1 862448417 DKZHZZZOGSGPEV-JYBNPQIESA-N 317.301 -0.146 50 20 DBGD CN(C)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862452611 FWRSPBIRENWPTD-LBPRGKRZSA-N 304.350 -0.212 50 20 DBGD CNc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862462111 UQUWHGARYMYDNT-QMMMGPOBSA-N 321.293 -0.324 50 20 DBGD O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cs1 864230984 HWINATCYELJEHB-ZCFIWIBFSA-N 306.130 -0.106 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cnc(NC(C)=O)s1 1117486750 YNNDUNMTBUGUGW-UHFFFAOYSA-N 307.357 -0.386 50 20 DBGD COCCOc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccn1 1254245178 IKVAXXSDCGHHKR-UHFFFAOYSA-N 322.321 -0.854 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)Cc1ccncc1 1318912086 RFRDAEUXBZTPGY-UHFFFAOYSA-N 316.408 -0.836 50 20 DBGD C[C@H](C(=O)NNc1nncc(N)c1Cl)N1CCN(C)CC1 1319218514 FCRQWMDOBYYYEQ-MRVPVSSYSA-N 313.793 -0.209 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCN3CCC[C@H]3C2)cn1 1321920961 PUQABGIQBAZMIA-RYUDHWBXSA-N 306.370 -0.009 50 20 DBGD CCNC(=O)Nc1cccc(NC(=O)C(=O)NNC(C)=O)c1 1325506865 UCJPKXVKLBDLIT-UHFFFAOYSA-N 307.310 -0.066 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@]1(C)C[C@H]1Br 1351153073 NLVIMAVEUQOZCM-ANLVUFKYSA-N 308.132 -0.337 50 20 DBGD N[C@@H]1CCC[C@H]1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1580378633 PDBGQTBWCNCUMX-IVZWLZJFSA-N 303.384 -0.914 50 20 DBGD C[S@](=O)CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591684193 OBTUUEXVWBIWLU-NRFANRHFSA-N 310.343 -0.734 50 20 DBGD Cn1ccnc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)c1=O 1592582666 ZPOZUXANAZJOKZ-UHFFFAOYSA-N 313.281 -0.888 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1coc(-c2nn[nH]n2)c1 1593158390 SBEZRNBXRHSRFA-HRDYMLBCSA-N 318.293 -0.212 50 20 DBGD CO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354199 MIDHLSLVUVPBNR-ZJUUUORDSA-N 304.774 -0.176 50 20 DBGD Cc1ccc(NNC(=O)NCCS(=O)(=O)NC(C)C)nn1 264397537 PJCNYKKXCTUVCC-UHFFFAOYSA-N 316.387 -0.261 50 20 DBGD COc1cc(C)nc(NNC(=O)CN(C)S(C)(=O)=O)n1 266903655 HSDHDDICPNFEDX-UHFFFAOYSA-N 303.344 -0.872 50 20 DBGD COc1cccc(OC)c1CC(=O)NNC(=O)C(=O)NC(C)C 268324934 LWYNRHZZXBLUOG-UHFFFAOYSA-N 323.349 -0.082 50 20 DBGD COCCN(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 288439509 NZBDEIZOZGIPNE-UHFFFAOYSA-N 315.395 -0.084 50 20 DBGD C[C@@H](C(=O)NNC(=O)COc1ccccc1F)S(C)(=O)=O 298594780 WEMDOPLKLOIAKT-QMMMGPOBSA-N 318.326 -0.215 50 20 DBGD COCCN1CCC(CNC(=O)c2cccc(B(O)O)c2)CC1 584939847 LVRUPTSPLOMSPP-UHFFFAOYSA-N 320.198 -0.545 50 20 DBGD C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(B(O)O)c1 584977482 QNCBCOGYEDNLGF-GFCCVEGCSA-N 320.198 -0.716 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@](=O)C1 584982037 IAKGKFKEPBYINS-BTKVJGODSA-N 313.159 -0.654 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)cc1F)C(=O)NCc1ccco1 585032796 MGQPPHLEYSGINE-SNVBAGLBSA-N 320.129 -0.107 50 20 DBGD COc1cc(OC)cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585057946 OXWQLEMNGNFELY-SECBINFHSA-N 315.156 -0.059 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cn1 735445852 CKKWTHKLFATVMZ-NSHDSACASA-N 319.365 -0.170 50 20 DBGD Cn1nccc1S(=O)(=O)NNC(=O)COCc1ccccc1 737756507 OZBYWXLSOHNIIS-UHFFFAOYSA-N 324.362 -0.054 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)NCCc1cccs1 751566252 PFODHBNJHSPZAA-UHFFFAOYSA-N 320.396 -0.830 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 757733292 MPXFFNVRVAUKQD-SECBINFHSA-N 312.351 -0.023 50 20 DBGD COC(=O)c1cn(CC(=O)NN=c2cc[nH]cc2Cl)nn1 768450072 DEMRPMWBCPYWLE-UHFFFAOYSA-N 310.701 -0.322 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1COCCO1 771990344 YKTGRGFPBOTURU-NXEZZACHSA-N 302.327 -0.473 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1cccc(OC)n1 780013614 XWLXLDKJTNZMCP-UHFFFAOYSA-N 317.371 -0.344 50 20 DBGD CCNC(=O)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 782346342 QHHRMYNQCUXKGO-SECBINFHSA-N 301.343 -0.362 50 20 DBGD CC(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 789831696 HOCIYBURTYSAMJ-UHFFFAOYSA-N 316.317 -0.774 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNc1nc2ccccn2n1 791252367 FCIPZFSNXIUHPY-UHFFFAOYSA-N 302.254 -0.023 50 20 DBGD CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NNC(=O)CO 795238589 LJBBVKWSSHHPED-VIFPVBQESA-N 301.343 -0.228 50 20 DBGD CC[C@](C)(OC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 797711149 FSUXEYDQGGAPEL-KCJUWKMLSA-N 307.372 -0.681 50 20 DBGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)CN(C)C)c(F)c1 802567282 PJGYRNVSDAVXLL-UHFFFAOYSA-N 324.287 -0.406 50 20 DBGD O=C1NCC[C@H]1C(=O)NNC(=S)NCCc1cccs1 820165504 UAYFSRLKJFKDDI-SECBINFHSA-N 312.420 -0.078 50 20 DBGD CCCCNC(=O)NNC(=O)CCn1cnc2c(N)ncnc21 823763408 VKNUPONAESWXKU-UHFFFAOYSA-N 320.357 -0.071 50 20 DBGD C=CCn1cc(CNC(=O)NNC(=O)[C@@H]2CCCCO2)nn1 823808430 NDVPMSDYJPVXFV-NSHDSACASA-N 308.342 -0.136 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NN(C)[C@H](C)CO)c1 823988442 SIBSPTBTLHEALH-SNVBAGLBSA-N 315.395 -0.058 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1cnn(C)n1 826863425 VQQQQNCCSHHZBB-KOLCDFICSA-N 310.358 -0.497 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@]2(O)CCOC2)c1 840237123 GLPBSNWYRGRSGO-OAHLLOKOSA-N 308.334 -0.019 50 20 DBGD O=C(NCCN1CCNCC1)NNc1ncc(F)cc1F 841919676 DTQYCJIRLLHFKV-UHFFFAOYSA-N 300.313 -0.109 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)nn2c1 855007428 VSVHIROFTMHJIN-RKDXNWHRSA-N 304.310 -0.381 50 20 DBGD C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858252610 MKMYCMDBUHMQIG-JQWIXIFHSA-N 321.381 -0.045 50 20 DBGD CN(NC(=O)OCc1ccccc1)C(=O)[C@@H](CO)NC(N)=O 862289409 FFKMWPYXMOTPAZ-SNVBAGLBSA-N 310.310 -0.685 50 20 DBGD CN(CCC(=O)NNC(=O)CS(C)(=O)=O)C1CCCCC1 863465156 VMPIHTNMFCGWCZ-UHFFFAOYSA-N 319.427 -0.167 50 20 DBGD CC(C)(CCl)CS(=O)(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 867352169 LMHYJJWEJOEMSV-OCAPTIKFSA-N 308.787 -0.214 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CCNC(=O)C2)cc1F 909359044 FCCOMOKEGPCVAA-UHFFFAOYSA-N 324.312 -0.513 50 20 DBGD COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 916435245 FJXVCZOZBBLQHA-LRDDRELGSA-N 317.150 -0.218 50 20 DBGD CCCNC(=O)NNC(=O)C1CCN(S(=O)(=O)CC)CC1 921042270 KIKGJJUKTJNUPJ-UHFFFAOYSA-N 320.415 -0.212 50 20 DBGD CCCNC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 921042437 URHSGOYBWADWCR-QSFUFRPTSA-N 320.349 -0.466 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCO[C@@H]1CCOC1 927532216 WBEQGMLKOOLRFL-HBNTYKKESA-N 301.343 -0.453 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnn2ccncc12 1116865311 CRSOYBVGMJELNO-UHFFFAOYSA-N 318.337 -0.205 50 20 DBGD CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1119084351 QYIPGUQUHKCFGI-IJSAXESFSA-N 318.399 -0.857 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1noc(C)n1 1261104401 QFXJZHZDUDTAOM-SFYZADRCSA-N 315.330 -0.179 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)c2cnn(C)c2)n1 1320950573 BULRHWYRSUVUAW-UHFFFAOYSA-N 304.310 -0.736 50 20 DBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)C(=O)N1CCCC1 1324939707 KZZHUQJQHLZDIY-UHFFFAOYSA-N 301.306 -0.355 50 20 DBGD COC1(CNC(=O)NNC(=O)C2CCOCC2)CCOCC1 1333160248 CXKCFQFCEABDSD-UHFFFAOYSA-N 315.370 -0.061 50 20 DBGD C[S@](=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1335330254 SCZGDYVMCTUYJK-XFNZEKPQSA-N 323.374 -0.608 50 20 DBGD CN(C)C(=O)NNC(=O)COCC(=O)NCc1cccnc1 1338729413 LNMGIUSPMIFRRM-UHFFFAOYSA-N 309.326 -0.983 50 20 DBGD O=C(NC[C@@H]1CCCCO1)NNC(=O)C(=O)Nc1ccccn1 1340292163 JEAVNLYUMVQCED-JTQLQIEISA-N 321.337 -0.080 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1573887729 GCXXYFCHMHMYMF-QMMMGPOBSA-N 300.315 -0.998 50 20 DBGD C[C@@H](O)c1ncc(C(=O)NNC(=O)NC2CCNCC2)s1 1576276982 LXAZMDWVVXDRKF-SSDOTTSWSA-N 313.383 -0.108 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)[C@@H]1CCCNC1)CC2 1579877421 MYGOIJNKKJTNPE-NEPJUHHUSA-N 305.382 -0.099 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@@H](OC)C(=O)O)cn1 1594104481 YGJOZXQORNFAPT-MRVPVSSYSA-N 314.323 -0.493 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1=O 1604870550 UQFWMUVBLOQFFE-JTQLQIEISA-N 317.309 -0.833 50 20 DBGD Cc1cccnc1NNC(=O)NCCC(=O)NCCC(=O)O 1607890328 FPBHUZMSNHTJBQ-UHFFFAOYSA-N 309.326 -0.003 50 20 DBGD O=C(NC[C@@H]1COC2(CCCCCC2)O1)NNC(=O)C(=O)O 1608439567 UXJDVUQCYSLNPL-SECBINFHSA-N 315.326 -0.133 50 20 DBGD Nc1nccnc1C(=O)NNC(=O)Cc1cn2ccccc2n1 174687051 HNFIQKODWIKBJX-UHFFFAOYSA-N 311.305 -0.290 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cccnc1N1CCOCC1 265075447 OVEDGMHANRQBNP-UHFFFAOYSA-N 307.354 -0.759 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@H](C(N)=O)O1 280606735 VDAPLMOWINPBIC-GHMZBOCLSA-N 307.306 -0.511 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2COCCN2C2CCCC2)c1=O 289038446 BEOYNSYSEACESF-GFCCVEGCSA-N 321.381 -0.133 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 368271520 IYECDCZVECYNHN-SSDOTTSWSA-N 313.260 -0.543 50 20 DBGD Cn1c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cccc1=O 494741208 CVCNKQSBURJNHY-UHFFFAOYSA-N 324.337 -0.329 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNc2cnccn2)C1 496829588 APFYWDGHPCYCSN-UHFFFAOYSA-N 309.326 -0.099 50 20 DBGD CN(NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 497031918 YXDBPZQHZBZCCD-SECBINFHSA-N 320.371 -0.173 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)COCc1ccccc1 497306794 WGKJUGFIQGRPOK-JOYOIKCWSA-N 307.306 -0.153 50 20 DBGD CN1CCC[C@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@@H]21 584963665 WSQLQSJJXBQXPT-ZFWWWQNUSA-N 302.183 -0.077 50 20 DBGD O=C(N[C@@H](CO)CC(F)(F)F)c1ccc(B(O)O)c(F)c1 584969475 MLFZDSFJOPUMAG-SSDOTTSWSA-N 309.024 -0.451 50 20 DBGD CN1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1=O 584999752 CTKOGZVYGRBWSN-VIFPVBQESA-N 308.118 -0.896 50 20 DBGD COCCn1cc(CNCc2ccc(B(O)O)cc2F)cn1 585040746 ARPNRKQXVMLDNI-UHFFFAOYSA-N 307.134 -0.362 50 20 DBGD NS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCCCCl)C1 707497245 KJAYMTNOQDALIK-QMMMGPOBSA-N 304.821 -0.302 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1C 728377426 QSLDZSDBHPSOPZ-SNVBAGLBSA-N 313.379 -0.162 50 20 DBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cnc[nH]1 728983572 LWWZVBYLETVPLW-UHFFFAOYSA-N 315.337 -0.123 50 20 DBGD C[C@@H](C(=O)NNC(=O)CCc1ccccc1O)S(C)(=O)=O 730033754 RNZLWCMJOCOYKA-VIFPVBQESA-N 314.363 -0.095 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 741092275 BCLTWEVZQDRNKP-ZJUUUORDSA-N 321.399 -0.291 50 20 DBGD COCCOCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1 744768434 JGTPOOAFUPTHMR-UHFFFAOYSA-N 324.333 -0.038 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1ccc(F)cc1F)C(N)=O 748277670 SNUBQUMAZPPCMU-JTQLQIEISA-N 300.265 -0.212 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NN=c1cc[nH]cc1Cl 757418938 FCHSCLJJPUCTTP-UHFFFAOYSA-N 318.786 -0.670 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)N1CCOCC1 759682535 WUDNXKGWNUNPHM-UHFFFAOYSA-N 310.270 -0.741 50 20 DBGD Cn1ncc(Cl)c1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 780212054 BVSLFXWDQBCYKN-ZETCQYMHSA-N 319.774 -0.106 50 20 DBGD CC(=O)NC[C@@H]1CN(S(=O)(=O)CBr)CCO1 782445588 ZRLQXYCSNFCKEU-MRVPVSSYSA-N 315.189 -0.495 50 20 DBGD Cn1ncc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)n1 785687396 SDBVBCSCRNDOID-UHFFFAOYSA-N 313.321 -0.295 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C#N 799833634 AIJOMFAKCYPSPY-SECBINFHSA-N 324.362 -0.435 50 20 DBGD COc1ccnc(NNC(=O)NCc2nc(N(C)C)no2)n1 812218428 OCDXDDJOBSNZSB-UHFFFAOYSA-N 308.302 -0.240 50 20 DBGD COc1ncc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 812227274 WWBAPXVJKNZLGM-SSDOTTSWSA-N 318.380 -0.028 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC1 822434026 LDWCMTPRGCWRLN-UHFFFAOYSA-N 308.363 -0.038 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 823115047 IJHUAWLVEHJWRC-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 842591588 DOVICZKNHKZKBV-BQBZGAKWSA-N 322.774 -0.192 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1 847293627 IWKYUJLFLGNTQI-MNOVXSKESA-N 318.333 -0.408 50 20 DBGD CCCC[C@@H](COC)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858233513 PNURZCZAWXLPEL-VHSXEESVSA-N 300.359 -0.199 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2Cc3cc(F)ccc3O2)N1 862454017 BLMWBDNHGGYGBQ-GXSJLCMTSA-N 307.281 -0.445 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862462216 ONBCSLZNLAQJDS-LLVKDONJSA-N 319.317 -0.097 50 20 DBGD NC(=O)C(=O)Nc1cccc(NCc2ccc(B(O)O)cc2)c1 864036701 XOBZQMMNNMZBOU-UHFFFAOYSA-N 313.122 -0.598 50 20 DBGD O=C(CN1C[C@H]2CNC[C@@H]2C1)NNC(=O)c1ccc(F)cc1 917198722 KBKVDEQGICMECH-VXGBXAGGSA-N 306.341 -0.262 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccc(Cl)cc1 919683812 BEIIVDGNGSYGNF-UHFFFAOYSA-N 320.754 -0.089 50 20 DBGD Cc1ocnc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1116480269 UCXUJRDCYRJCHP-NSHDSACASA-N 302.356 -0.136 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)NN2CCS(=O)(=O)CC2)cn1 1118946731 IZWKBAKLHCHTFS-WDZFZDKYSA-N 309.351 -0.911 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(S(=O)(=O)CC)CC1 1255938817 XCRCCXMYWLWOLR-SNVBAGLBSA-N 319.427 -0.169 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)Cc1cc[nH]n1 1318333184 OGECIJBYKJZJDX-UHFFFAOYSA-N 305.294 -0.569 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1cnn(C)c1 1318834610 UBXKQCCCHUOWTR-VIFPVBQESA-N 308.342 -0.566 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)n1 1320595820 FBNAPDAYIOTXTB-SECBINFHSA-N 323.353 -0.024 50 20 DBGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1C 1328220533 MKPBZMBUZOUJNW-NXEZZACHSA-N 323.353 -0.452 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)nc1O 1328591781 NLULCPHIQGZXLM-VIFPVBQESA-N 306.326 -0.270 50 20 DBGD NC(=O)Cn1cc(C(=O)NNc2ccc(F)c(F)c2F)nn1 1329967118 NUUDWFKFCRHUFO-UHFFFAOYSA-N 314.227 -0.062 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 1342590152 GKTHNSUDEQSCDX-UHFFFAOYSA-N 324.312 -0.232 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1csc(O)n1 1344348949 XGSGGDIBMXPQLD-UHFFFAOYSA-N 300.340 -0.086 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@@H]2COCCN2)cn1 1574034024 QZHLYJFLUOAFAB-VIFPVBQESA-N 311.367 -0.604 50 20 DBGD COc1ccccc1NC(=S)NNC(=O)CN1CCNCC1 1579310036 WRJWGNQMIOCFFM-UHFFFAOYSA-N 323.422 -0.082 50 20 DBGD O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21)[C@@H]1COCCO1 1580736004 KUYIPUVMUMLAHE-QNWHQSFQSA-N 311.382 -0.283 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)c2cc[nH]n2)c1 1595122685 SNIJDQUHMLLQAC-UHFFFAOYSA-N 304.262 -0.052 50 20 DBGD CC[C@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccnc1 1604878052 GLGZFWPZPJPPBI-VIFPVBQESA-N 308.294 -0.930 50 20 DBGD Cc1cc(=NNC(=O)C(=O)Nc2cccnc2C(=O)O)cc[nH]1 1605213610 YFRWEKZAPSMQJZ-UHFFFAOYSA-N 315.289 -0.013 50 20 DBGD Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNC(=O)c1ccccc1 14213132 GFMIYRZKYUFLLR-UHFFFAOYSA-N 316.317 -0.235 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 42464517 CWWLFSDSGGSLJM-LLVKDONJSA-N 323.305 -0.280 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)COc2ccc(C)cc2)C1 276254479 HVPXAMBRHYDSMW-UHFFFAOYSA-N 305.334 0.000 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)cc1 276674310 VEZGLMQNCBAYHP-VXGBXAGGSA-N 320.349 -0.413 50 20 DBGD COC(=O)COCC(=O)NNc1nc(-c2cccnc2)no1 289097073 MOOOLYJPGCXELX-UHFFFAOYSA-N 307.266 -0.236 50 20 DBGD CC(C)N1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584939330 VCZNHCHYNAHBMI-SNVBAGLBSA-N 308.118 -0.755 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@H](COCC2CC2)C1 584977246 OLAGAVRZTAFZFY-HNNXBMFYSA-N 319.166 -0.366 50 20 DBGD CC[C@H](C)[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N(C)C 584982321 MYRSGKVFVIOKFF-GWCFXTLKSA-N 306.171 -0.401 50 20 DBGD NS(=O)(=O)c1cccc(N2CC[C@H](B(O)O)C2)c1[N+](=O)[O-] 585078546 GMGJLPDVIFWICW-ZETCQYMHSA-N 315.116 -0.705 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 738136883 VBBWFRSFSWVUKH-BDAKNGLRSA-N 308.290 -0.058 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNC(=O)CO)c1ccc(F)cc1F 753439347 YDHHDDKBBQUJLQ-NSHDSACASA-N 315.276 -0.328 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CC1=O 757406446 BDFZVLYFNHSKOM-MRVPVSSYSA-N 320.353 -0.334 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CC[C@@H](C)C1 758045042 BEJMISFAUGEWTP-KXUCPTDWSA-N 305.400 -0.102 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 760211752 PUQQBHUGNIYIEK-VIFPVBQESA-N 306.278 -0.118 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(F)(F)C1(O)CCC1 767566987 BVDSXQWZHKEGAL-UHFFFAOYSA-N 321.324 -0.011 50 20 DBGD O=C(NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CC1 779580385 YNCCTDHAVKBZDL-WDEREUQCSA-N 304.306 -0.485 50 20 DBGD COc1cccc(NNC(=O)CN(C)CC(=O)NC(C)C)n1 780771846 DESXIHXINYPGAD-UHFFFAOYSA-N 309.370 -0.010 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1COC(C)(C)O1 783268930 JIHKBTQHJDWUJW-ZJUUUORDSA-N 319.358 -0.480 50 20 DBGD COC(=O)[C@@H]1[C@H]2CN(CC(=O)NNC(=O)c3ccccc3)C[C@H]21 794987425 TVMRCBWSJBIUFZ-IMRBUKKESA-N 317.345 -0.202 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)N2CCN(C)CC2)on1 807381993 RVHXCHNPRFRXCF-UHFFFAOYSA-N 311.298 -0.937 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1 810390539 VRHKOTFZWXVYKN-UHFFFAOYSA-N 314.301 -0.173 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCO[C@H](C(=O)O)C2)c1 818939303 NFJUHAXSDBHXAY-LBPRGKRZSA-N 321.333 -0.459 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)CN1CCOC1=O 820151751 JIZXJJOVMYOZQM-UHFFFAOYSA-N 307.306 -0.197 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)N=S1(=O)CCCC1 821135989 YEYKEGWXQNZSNW-UHFFFAOYSA-N 320.396 -0.234 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc3c2CCOC3)N1 827017099 XQXWXELDSANGCP-GFCCVEGCSA-N 303.318 -0.201 50 20 DBGD O=C(NNc1cccc([N+](=O)[O-])c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830761797 GGGHVQCJXXRCQE-IJLUTSLNSA-N 309.278 -0.549 50 20 DBGD CONC(=O)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 832029687 VJCZHXNCJRUISU-UHFFFAOYSA-N 324.117 -0.965 50 20 DBGD CN(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C(=O)O 833691323 ALNOGSSDOJBKDG-UHFFFAOYSA-N 304.303 -0.732 50 20 DBGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)C(=O)OC(C)(C)C 840301168 NXWGUWYRCGKMOZ-VIFPVBQESA-N 313.354 -0.266 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1ncccn1)C(C)=O 854953545 VECDWDSFNWQMKZ-VIFPVBQESA-N 308.294 -0.604 50 20 DBGD CN(C)[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862451914 BIRNOEPSPDBYHF-DGCLKSJQSA-N 304.350 -0.285 50 20 DBGD CN(C)C(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 863379227 QZYSAXQWBSVTAK-YPMHNXCESA-N 304.350 -0.285 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 883060961 CPIQQUMVDDEABM-NSHDSACASA-N 313.354 -0.945 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)NCc1ccc(F)cc1 1116125132 GKSODFCWFYPXRL-UHFFFAOYSA-N 319.296 -0.065 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccnc1-n1cccn1 1116598605 NNDJJMBGYOBKNW-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C(F)(F)F)n[nH]1 1261776232 JXFSAWBJJWSLRI-UHFFFAOYSA-N 307.232 -0.286 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3c(cn2)OCCC3)N1 1261841701 AGNAZJHPXNBZDK-SECBINFHSA-N 304.306 -0.554 50 20 DBGD COCCN1CCC(NC(=O)NNC(=O)c2cnn(C)c2)CC1 1318580057 LFODMPLLBVZUHM-UHFFFAOYSA-N 324.385 -0.525 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H](CC(N)=O)C1CCOCC1 1320221877 ZSGDMITWPNYQAS-MWLCHTKSSA-N 314.386 -0.808 50 20 DBGD O=C(CCO)NNC(=O)Nc1ccn(Cc2ccncc2)n1 1320274520 DWROHFRYDJDURG-UHFFFAOYSA-N 304.310 -0.139 50 20 DBGD O=C(NC[C@@H]1CCS(=O)(=O)C1)NNc1nc2ccccn2n1 1321214331 XKSPUBWWPFWEDT-VIFPVBQESA-N 324.366 -0.210 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ncccn2)cn1 1325675543 OJPADKMNGTWTSX-UHFFFAOYSA-N 322.350 -0.121 50 20 DBGD COCCOCCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1329237321 UDAACRKUXKAAEP-QWRGUYRKSA-N 303.359 -0.205 50 20 DBGD Cn1nc(C(=O)NNC(=O)CS(C)(=O)=O)c2c1CCCC2 1329589874 QERWAARJKIRGEU-UHFFFAOYSA-N 314.367 -0.896 50 20 DBGD CN(C)c1noc(CNC(=O)NNC(=O)c2cccc(F)n2)n1 1333755955 XUIFWFFCWKGFKN-UHFFFAOYSA-N 323.288 -0.186 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)cc1)C(=O)NCC(F)(F)F 1352848969 HMAIMLMMNDZJFR-MRVPVSSYSA-N 304.077 -0.477 50 20 DBGD CC(C)CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN1 1575522174 ITLNCDHBTNSIBN-RYUDHWBXSA-N 310.398 -0.077 50 20 DBGD NCCNC(=O)NNC(=O)CNC(=O)c1ccccc1Cl 1580311330 PIMBWZDLDGDMHI-UHFFFAOYSA-N 313.745 -0.641 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)C1=NOC2(CNC2)C1 1580561016 TXRDFQYENVOZFY-UHFFFAOYSA-N 322.296 -0.530 50 20 DBGD CS(=O)(=O)N1CC(C(=O)NNc2ccc(C(=O)O)cn2)C1 1599754327 ZXJVYUXLXUJDKW-UHFFFAOYSA-N 314.323 -0.886 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ccc(C(=O)O)c(F)c1 1610047907 FFKZEBKWVBQZRZ-UHFFFAOYSA-N 319.314 -0.094 50 20 DBGD O=C(c1cnccn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557110 VDDOCMXQEQZBFE-SRVKXCTJSA-N 324.768 -0.108 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)CC(=O)NC1CC1 7926109 ARDBZRSJPVWZBH-UHFFFAOYSA-N 304.350 -0.342 50 20 DBGD CN(C)CC(=O)NNC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 113425438 XNTVRUXWTFANJN-UHFFFAOYSA-N 319.365 -0.112 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)NC1Cc2ccccc2C1 184940177 TYXRLPBKWJZESB-UHFFFAOYSA-N 302.334 -0.237 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)N[C@@H]2CC(=O)N(C)C2)c1 267684863 QJGAWEOSWNWWJG-LLVKDONJSA-N 320.349 -0.065 50 20 DBGD C[C@]1(c2cccc(C(=O)NNC(=O)C3CC3)c2)NC(=O)NC1=O 269137142 YGJSWGOTXFNNOM-OAHLLOKOSA-N 316.317 -0.088 50 20 DBGD O=C(NNC(=O)[C@@H](O)CCc1ccccc1)C(=O)N1CCCC1 271047165 PJTAXWONHFGYSB-ZDUSSCGKSA-N 319.361 -0.250 50 20 DBGD C=C(C)[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)OCC 273367864 DNTUFSLJSRMDFS-NXEZZACHSA-N 321.399 -0.557 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C(=O)NCCCc1ccccc1 277893097 FVLFTEXQMPUAFY-UHFFFAOYSA-N 307.350 -0.346 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 281399962 YNKQSCQKMYTNRC-SNVBAGLBSA-N 313.427 -0.922 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCn2cccn2)C[C@@H](C)O1 295212377 QFOICXLLNLNQDF-CHWSQXEVSA-N 323.397 -0.080 50 20 DBGD C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584976038 PNLUAAFEUFKJOV-KOLCDFICSA-N 311.118 -0.883 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=S)NCC(N)=O)c1 727065921 GICICVWFHIZCOP-UHFFFAOYSA-N 312.351 -0.702 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 737453557 PPQMFLIOQVEYQZ-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CN(CCO)c1ccc(C=NNC(=O)C(=O)NC2CC2)cc1 744823883 IQXXJIBAWRQTOQ-UHFFFAOYSA-N 304.350 -0.156 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 751270427 ITMCCGOUIOJTHE-UHFFFAOYSA-N 321.286 -0.589 50 20 DBGD CC[C@@H](NC(=O)NNC(=O)C(C)C)C(=O)N1CCOCC1 753055139 AUXMKDAYKUOPRU-SNVBAGLBSA-N 300.359 -0.390 50 20 DBGD C[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccc(C#N)c1 761111015 CEIBDHWMHMTLGB-ZWNOBZJWSA-N 302.334 -0.226 50 20 DBGD CC(C)CNC(=S)NNC(=O)CNC(=O)c1cccnc1 763166453 YQFOYBVNGRFKMG-UHFFFAOYSA-N 309.395 -0.037 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2ccnc(S(N)(=O)=O)c2)n1 776326909 JXMLQQHMNVYIMI-UHFFFAOYSA-N 322.350 -0.107 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ncncc1Cl 781818927 QZKDAXSJBXIWIG-UHFFFAOYSA-N 320.700 -0.342 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)C2(CO)CC2)n1 796504491 VAMAJQZAWBFPOE-UHFFFAOYSA-N 312.395 -0.402 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)N2CCCC2)C1 805807492 IJSAACFKZUIYSB-NWDGAFQWSA-N 310.398 -0.123 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)Cc1nncn1C 805824453 RZIWXIYMUNLOKF-UHFFFAOYSA-N 308.367 -0.230 50 20 DBGD CN1CCN(C(=O)NNC(=O)COc2cccc(C#N)c2)CC1 807379757 CWCHWGDGCIEBIZ-UHFFFAOYSA-N 317.349 -0.075 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 827299945 OTWNUECIQDTJEJ-WCFLWFBJSA-N 321.381 -0.176 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NC1CN(C(=O)O)C1 831553061 RIUNOJUVWUBXMY-UHFFFAOYSA-N 324.293 -0.536 50 20 DBGD O=C(C[C@H]1COCCN1)NNc1nc(-c2cccnc2)no1 831890209 DWLKARXMJWTTCG-JTQLQIEISA-N 304.310 -0.047 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 843970710 JXVAJPQVAHQPEQ-WCBMZHEXSA-N 318.337 -0.004 50 20 DBGD COCCNCC(=O)NNc1ncc(Br)cn1 848436344 OHHDFKICNNANGV-UHFFFAOYSA-N 304.148 -0.082 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nccc2[nH]ccc12 854295248 YHAYYRMVJQBZPB-MRVPVSSYSA-N 322.346 -0.241 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2c(Cl)cnn2C)CC1 854378873 GLMPQDXYXCCCGY-UHFFFAOYSA-N 300.750 -0.325 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=S)NCC2CCC2)n1 855090559 ZEIISXKNKGFPRC-UHFFFAOYSA-N 324.414 -0.571 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 857271947 DGTYAKINWHDKKK-RKDXNWHRSA-N 306.326 -0.567 50 20 DBGD CCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 861946157 MDVDDOIPPZDXPK-NSHDSACASA-N 318.333 -0.387 50 20 DBGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)c1cn[nH]c1 862470393 OZFXIRFWGSIIEF-UHFFFAOYSA-N 307.232 -0.372 50 20 DBGD Cc1cc(=NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc[nH]1 862511284 JWTLASSSKAYVMQ-LBPRGKRZSA-N 305.382 -0.335 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc2c(c1)NC(=O)CO2 863187120 YGBVEDODTHBSJZ-UHFFFAOYSA-N 311.319 -0.488 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccc(C=O)cc1 863460890 OFUHJCSMVDGNTH-UHFFFAOYSA-N 314.319 -0.930 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2 905360918 DGAUBCKKWCJCOZ-DNSOKLHBSA-N 303.746 -0.413 50 20 DBGD O=C(CCO)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 1252557204 ASYCMELIZZVCQZ-UHFFFAOYSA-N 318.333 -0.322 50 20 DBGD O=C(NNc1nc(O)c2ccccc2n1)[C@@H]1CCS(=O)(=O)N1 1261526698 RRKFDDADZBXNLE-VIFPVBQESA-N 323.334 -0.530 50 20 DBGD Cc1nccn1CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261787134 FDUFGEZCEKJSDA-JTQLQIEISA-N 308.342 -0.809 50 20 DBGD O=C(NCCCCn1ccnc1)NNC(=O)C(=O)N1CCCC1 1318093636 RBQZFSPRXNUFBY-UHFFFAOYSA-N 322.369 -0.384 50 20 DBGD Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 1318586070 PTZCPBWAOLWHPW-LURJTMIESA-N 309.326 -0.039 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CCc1nc[nH]n1 1318964715 BNWZZFMBDSRJQL-UHFFFAOYSA-N 319.321 -0.028 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)nc1 1320930499 MRRVZWWGBUOJOX-UHFFFAOYSA-N 320.305 -0.748 50 20 DBGD Cc1c(C(=O)NN(C)C[C@@H](C)O)nnn1Cc1ccncc1 1332149370 PZACKUFHWBAQCO-SNVBAGLBSA-N 304.354 -0.013 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1 1333113271 UPLPCEFPYGHFEP-LBPRGKRZSA-N 319.365 -0.035 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCc1cnccn1 1341745839 LRPPTDMNSGLFCZ-SNVBAGLBSA-N 311.342 -0.599 50 20 DBGD C[S@@](=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1348388384 OZGPJSTZHLEYDZ-LADRHHBVSA-N 309.347 -0.536 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1599227256 SVMGEEVKIFQMFY-BDAKNGLRSA-N 319.383 -0.507 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(C(=O)O)c(F)c1 1601313945 RCBPRNWDGGARDL-UHFFFAOYSA-N 323.280 -0.093 50 20 DBGD O=C(O)CC1(CNC(=O)c2cccc(B(O)O)c2)CCOCC1 1601919625 YKOUOXMLHASGMW-UHFFFAOYSA-N 321.138 -0.632 50 20 DBGD O=C(C[C@@H]1CCNC1=O)NNc1cccc(-c2nn[nH]n2)c1 1606504213 QZTZOKCONQILLI-VIFPVBQESA-N 301.310 -0.164 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1608342569 FVCQUHXECIXAGR-MNOVXSKESA-N 307.306 -0.122 50 20 DBGD O=C(O)C(=O)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 1610714360 PXFSTKBDZRTSJL-UHFFFAOYSA-N 318.289 -0.620 50 20 DBGD Cn1ncc(C(=O)O)c1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1776027829 KEEQQXXWMADCMD-ZETCQYMHSA-N 314.323 -0.997 50 20 DBGD C#CCSCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 265896476 ZXRQFOQEZICBNO-NSHDSACASA-N 305.425 -0.266 50 20 DBGD C=CCCO[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 268827695 KKMGUVMMNXBGCO-NSHDSACASA-N 320.349 -0.060 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)C1 272020627 MPWPQORUBKJGTM-GFCCVEGCSA-N 313.379 -0.136 50 20 DBGD O=C(NCCSC(F)(F)F)NNC(=O)C(=O)NC1CC1 299011758 VHYLAOFGLKVPDE-UHFFFAOYSA-N 314.289 -0.152 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 374005924 MSJRPKJYIDMSOD-QMMMGPOBSA-N 308.367 -0.556 50 20 DBGD CC(C)CN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1=O 584974830 RMPBPLVKRJVUON-UHFFFAOYSA-N 304.155 -0.693 50 20 DBGD O=C1[C@@H](NCc2ccccc2B(O)O)CCN1CC(F)(F)F 585022947 AEPZEAIXNZGOSL-NSHDSACASA-N 316.088 -0.381 50 20 DBGD OB(O)c1ccc(CNC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)o1 585039220 QIHHHTOTTASVET-XZXJJPFESA-N 315.178 -0.442 50 20 DBGD CC(C)C[C@H](C(=O)NCB(O)O)N1C(=O)c2ccccc2C1=O 585062153 CDHWRRIOYKHVNR-GFCCVEGCSA-N 318.138 -0.175 50 20 DBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@@H](B(O)O)C1 585063846 ILFIJZPSVAAAPW-SFYZADRCSA-N 310.081 -0.235 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NCCn1cccn1 734280789 QKFBQJCLCBQBQK-UHFFFAOYSA-N 319.321 -0.002 50 20 DBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)N1CCOCC1 745995967 FXFMPAGAJTVQQX-GHMZBOCLSA-N 301.343 -0.357 50 20 DBGD CS[C@H](C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 756949942 QBLYZISWBQMHTA-SFYZADRCSA-N 309.413 -0.355 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1ccncc1 758311221 WUOOEPPIUDJFPY-UHFFFAOYSA-N 316.277 -0.029 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccoc2)cn1 762743790 RZRLXDRTSJRVAF-UHFFFAOYSA-N 310.291 -0.603 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1c(C)c(C)nn(C)c1=O 765004964 PFISCKZYTKWFQZ-UHFFFAOYSA-N 304.310 -0.497 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 765407453 LHDODUGFPPHTFL-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1COCCO1 771990347 YKTGRGFPBOTURU-VHSXEESVSA-N 302.327 -0.473 50 20 DBGD Cn1cc([C@H](O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1 773691259 CEJMSJDQRPFCBG-NSHDSACASA-N 319.277 -0.177 50 20 DBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)(C)n1cncn1 794487886 FKQGFKVKUSRXHU-SNVBAGLBSA-N 313.383 -0.060 50 20 DBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)COc1ccccc1O 819848872 VDTAMXUMTLHUCM-CQSZACIVSA-N 321.289 -0.077 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)NCCN1CCNCC1 841921683 WYCBGMJMRJDRRZ-UHFFFAOYSA-N 323.372 -0.396 50 20 DBGD COC(=O)[C@@](C)(CO)NCC(=O)NNC(=O)c1cccc(C)c1 852157952 GXCWFRRXZNSISL-OAHLLOKOSA-N 323.349 -0.730 50 20 DBGD C=CCCn1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1 853302386 BOLGPCHAEZBSMD-SECBINFHSA-N 314.371 -0.758 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 860667611 GJKSFFXSPDSUFI-MRVPVSSYSA-N 304.347 -0.436 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] 862448248 BEBPTQLZOLSNBV-VIFPVBQESA-N 306.278 -0.057 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)o1 863413903 UWAHDWFYKJIAMN-MRVPVSSYSA-N 301.324 -0.515 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)C(C)(C)c2ccccc2)C1=O 900634863 OJEWOJVXSMYFKL-LBPRGKRZSA-N 319.361 -0.031 50 20 DBGD C[C@H](O)CN(C)NC(=O)CN1CCN(c2ccccn2)CC1 910164391 YBEHNBZMQZGXBU-ZDUSSCGKSA-N 307.398 -0.453 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1 1116628575 DDQSUTQKFLYBLT-UHFFFAOYSA-N 308.294 -0.190 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cncc(Cl)n1 1116770833 UUULLGNVDFASHM-ZCFIWIBFSA-N 318.742 -0.674 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n1 1117631085 LDRXHVCOISQFDK-UHFFFAOYSA-N 323.334 -0.707 50 20 DBGD CCn1cnc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1118546694 QBZDTPJNLNOLAF-MRVPVSSYSA-N 300.340 -0.901 50 20 DBGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)C(C)(C)C 1254806126 AFOCGHFVDCSUFB-UHFFFAOYSA-N 308.342 -0.325 50 20 DBGD Cn1cc(C(=O)NNc2nccnc2Cl)c(=O)n(C)c1=O 1318556873 YFGUMCMBGJFIEW-UHFFFAOYSA-N 310.701 -0.716 50 20 DBGD NC(=O)CSCC(=O)NNC(=O)Cc1cn2ccccc2n1 1319295657 LUFLFJYBCRYWGC-UHFFFAOYSA-N 321.362 -0.757 50 20 DBGD Cn1cc(CCCNC(=O)NNC(=O)c2cnn(C)c2)cn1 1322970783 YPNDATNVPNZIPG-UHFFFAOYSA-N 305.342 -0.270 50 20 DBGD Cc1n[nH]cc1C(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 1324463216 JZQXAMFHUVHOKQ-UHFFFAOYSA-N 304.310 -0.044 50 20 DBGD COC(=O)C(C)(C)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1325964376 LITLUDXNEZDKOA-BDAKNGLRSA-N 301.343 -0.059 50 20 DBGD O=C(NCCCn1cncn1)NNC(=O)c1cccc(F)n1 1331996560 KPPICBXTUZOOFP-UHFFFAOYSA-N 307.289 -0.154 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(C3OCCO3)cc2)N1 1337637891 UYEHTEFKJORCAZ-NSHDSACASA-N 319.317 -0.228 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 1337968118 IDWRGKSBTNAZGI-UHFFFAOYSA-N 320.305 -0.127 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1CCN(CC#N)CC1 1349060982 FAUPOPYEDDQRRH-ZYHUDNBSSA-N 309.370 -0.270 50 20 DBGD O=C(CSc1ccccc1O)NNS(=O)(=O)C1CNC1 1574302828 PIIDIZTZYRZRPP-UHFFFAOYSA-N 317.392 -0.593 50 20 DBGD O=C(NNC(=O)c1ncon1)Nc1cccc(-c2nn[nH]n2)c1 1593159350 JGRGJLWCQCWJGC-UHFFFAOYSA-N 315.253 -0.284 50 20 DBGD O=C1CC(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)=NN1 1593382229 WSCYYPHZECSCIA-UHFFFAOYSA-N 320.700 -0.161 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Nc1cc(C(=O)O)n(C)n1 1600978935 YDZQXHKEVHVSTH-UHFFFAOYSA-N 306.282 -0.077 50 20 DBGD CCN(CCO)NC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 1604318808 HXFQUSDVDBDCJX-SNVBAGLBSA-N 320.353 -0.021 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C(=O)NC1CC1 8403206 RPMFBVVUALTKFR-UHFFFAOYSA-N 314.342 -0.673 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)N(C)C 61864979 QDPAIGSGDCHTMC-SECBINFHSA-N 303.322 -0.021 50 20 DBGD O=C(NNc1ncc(F)cn1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 123159028 HLNNOWBZCVVTKK-SSDOTTSWSA-N 305.273 -0.165 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2[nH]ccc12 126462749 MZNWIVDAGNWMFU-UHFFFAOYSA-N 303.322 -0.185 50 20 DBGD COc1ccc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)nc1 275550397 VCTCJYZFENZABR-QMMMGPOBSA-N 300.340 -0.097 50 20 DBGD CN(C)C(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 291391416 ALDSEKTUVWHKHW-UHFFFAOYSA-N 319.365 -0.362 50 20 DBGD O=C(CC1CC1)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 294250474 SVAWFMDBKGAQIY-NRMKKVEVSA-N 321.333 -0.904 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 368170079 ZZBGCYGZDVSUNX-JTQLQIEISA-N 311.725 -0.167 50 20 DBGD CC(C)(C)N1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584954124 FRVSEOCRORZHQS-SNVBAGLBSA-N 322.145 -0.365 50 20 DBGD O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1cc(B(O)O)ccc1F 584962807 KTVJFPJZACUXRI-XYDQJSOLSA-N 307.130 -0.358 50 20 DBGD O=C(N[C@@H](CO)CC(F)(F)F)c1cc(B(O)O)ccc1F 584970068 RULSWDOVHVDZHW-SSDOTTSWSA-N 309.024 -0.451 50 20 DBGD Cc1nc([C@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)C2)n[nH]1 584971039 JTUHEAKDNBSYOK-LBPRGKRZSA-N 314.154 -0.187 50 20 DBGD CC(C)(CNCc1ccc(B(O)O)cc1F)[C@]1(O)CCOC1 585047396 BNIAIQKUWOKIPX-HNNXBMFYSA-N 311.162 -0.227 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2n[nH]cc2c1 746584030 TUQWVMCNIJTEMF-VIFPVBQESA-N 322.346 -0.241 50 20 DBGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)C(C)(C)C 750286938 QCLZDTYCNPCZSJ-SECBINFHSA-N 320.415 -0.213 50 20 DBGD CCc1ncncc1C(=O)NNC(=O)CNC(=O)c1ccco1 751202718 HTQJASCTVRJSMD-UHFFFAOYSA-N 317.305 -0.177 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccnc(Br)c1 771532848 OZENCHLPLSKVQJ-UHFFFAOYSA-N 323.172 -0.164 50 20 DBGD CSC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 782062411 RBPFRUOUWRBABM-QMMMGPOBSA-N 306.409 -0.146 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 793350026 DFENPWLZGHURGG-UHFFFAOYSA-N 301.324 -0.104 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c(=O)n(C)c1=O 794953631 OTYPODNJSVFCHC-VUUNSECVSA-N 303.318 -0.013 50 20 DBGD Cn1ncc(CNC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1 807571437 VUODTTMVRIBNDH-UHFFFAOYSA-N 319.281 -0.133 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 809670576 NIGXVCHPTDGSKI-UHFFFAOYSA-N 301.266 -0.230 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 810387198 KBTSDBJWXKMNRS-UHFFFAOYSA-N 308.269 -0.180 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1 824449005 MBNYZYBQAYRZBL-MRVPVSSYSA-N 324.366 -0.010 50 20 DBGD O=C1CC[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)N1 826480212 USDBCTGXMLEREU-ZCFIWIBFSA-N 322.716 -0.363 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 845342959 ZMQBGRYZEMXXHV-JTQLQIEISA-N 308.319 -0.989 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)N1 858697743 VKBXDGMESIPHEL-GXSJLCMTSA-N 320.353 -0.392 50 20 DBGD O=C1C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)NC(=O)N1 863099322 JYWSAQJHRWBNRH-VKHMYHEASA-N 304.175 -0.597 50 20 DBGD CC(C)(C)OC(=O)C1(C(=O)NNC(=O)CO)CCSCC1 863903317 BOPZFUCNMRODEV-UHFFFAOYSA-N 318.395 -0.019 50 20 DBGD C#CCCCC(=O)NNC(=O)CCN1C(=O)CCNC1=S 887149009 GHJOSWRVFOXQEZ-UHFFFAOYSA-N 310.379 -0.566 50 20 DBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)CN2CCCC2=O)C1 913732426 WLAYVPXJLKGIRG-SNVBAGLBSA-N 310.354 -0.985 50 20 DBGD O=C(CN1CCN(Cc2cncs2)CC1)NNC(=O)C1CC1 931363957 UXQGSXFVQNYDMJ-UHFFFAOYSA-N 323.422 -0.182 50 20 DBGD CCOC(=O)[C@@H](N)C(=O)NNc1ccccc1S(C)(=O)=O 1118569663 IYSPNXCROIZDNC-JTQLQIEISA-N 315.351 -0.576 50 20 DBGD OB(O)c1ccc(CNCC2(O)CCC3(CC2)OCCO3)cc1 1119980160 CXIHMQQKYNOLFX-UHFFFAOYSA-N 321.182 -0.496 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccco1 1252222899 ZPJDILLXXFLPFZ-BDAKNGLRSA-N 300.336 -0.035 50 20 DBGD C[S@](=O)C1(CNC(=O)NNC(=O)Cc2cccnc2)CC1 1256568323 YSGQAPATOFLZIL-NRFANRHFSA-N 310.379 -0.134 50 20 DBGD Cn1c(NNC(=O)C(=O)NC2CC2)nc2ccccc2c1=O 1318516856 FBUIDDQRZDAVBS-UHFFFAOYSA-N 301.306 -0.345 50 20 DBGD COCCCn1cnnc1SCC(=O)NNC(=O)C1CC1 1318960590 QPBBYLJRJCIOSZ-UHFFFAOYSA-N 313.383 -0.036 50 20 DBGD CC(C)NC(=S)NNC(=O)c1coc(S(N)(=O)=O)c1 1320526916 QMCAPCALHGJHHC-UHFFFAOYSA-N 306.369 -0.556 50 20 DBGD CNC(=O)COc1ccc(C(=O)NN(C)C(N)=O)cc1OC 1325005137 BQZYRKGPVOHSPK-UHFFFAOYSA-N 310.310 -0.525 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCOC[C@@H]1CCCO1 1330490261 SFCHVNNUBNATMB-VIFPVBQESA-N 303.315 -0.925 50 20 DBGD COc1ncccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331498945 QDFUBCLGPGHYBW-SECBINFHSA-N 307.310 -0.801 50 20 DBGD O=C(NC[C@H]1CCCCS1(=O)=O)NNC(=O)c1cn[nH]c1 1332484676 UWXASQHLPDLKDA-SECBINFHSA-N 315.355 -0.679 50 20 DBGD COCCn1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)n1 1337970393 ZCSBTCWESKIESH-UHFFFAOYSA-N 311.342 -0.339 50 20 DBGD Cn1c2c(ccc1=O)[C@@H](NC(=O)NNC(=O)C(=O)O)CCC2 1600923065 VKKCAOTXFPZRGP-QMMMGPOBSA-N 308.294 -0.822 50 20 DBGD O=C(CN[C@H](Cc1ccccc1)C(=O)O)NNC(=O)C1CC1 1601323149 BYZJWCZFVSAPSH-GFCCVEGCSA-N 305.334 -0.171 50 20 DBGD O=C(NC[C@H](c1ccco1)N1CCCC1)NNC(=O)C(=O)O 1601469243 ZFWMAXMLBFZPQA-SECBINFHSA-N 310.310 -0.169 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1C(=O)O 1607733551 NTEZGYZMJGRMSH-NSHDSACASA-N 308.290 -0.130 50 20 DBGD C[C@@H]1CN(C)C[C@@H](C(=O)NN=Cc2cc(C(=O)O)cn2C)O1 1776092628 WAHRFHGFQVWGSW-SKDRFNHKSA-N 308.338 -0.108 50 20 DBGD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)CN1 1843365817 LQYYUOOOTJNKSK-WPRPVWTQSA-N 317.748 -0.140 50 20 DBGD COc1ccc(OC)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 8393737 NLECHBSQASEEME-UHFFFAOYSA-N 307.306 -0.257 50 20 DBGD O=C(CCn1cncn1)NNC(=O)[C@H]1COc2ccccc2O1 25529479 BROGSVVSSBXTOX-GFCCVEGCSA-N 317.305 -0.344 50 20 DBGD N#Cc1ccc(N2CC[C@H](C(=O)NNC(=O)CO)C2)c(F)c1 367589173 OOQPBSNDLHKPDS-JTQLQIEISA-N 306.297 -0.337 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)n1 373760635 XCFUWHBDHVCTOJ-ZDUSSCGKSA-N 303.366 -0.459 50 20 DBGD CCCN(CC(=O)N(C)C)C(=O)c1ccc(B(O)O)c(F)c1 584934217 PUIZZOWJZJLFJG-UHFFFAOYSA-N 310.134 -0.554 50 20 DBGD O=C(NCCC(=O)N1CCCCC1)c1cccc(B(O)O)c1 584968330 KIQIYKAXYOLHBB-UHFFFAOYSA-N 304.155 -0.501 50 20 DBGD Cc1nnc(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)s1 585009132 QFKPVXJXXVWHDD-UHFFFAOYSA-N 309.131 -0.062 50 20 DBGD CC(C)[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)N1CCCS1(=O)=O 585064599 RYEKXTYMJJNXBR-MNOVXSKESA-N 318.204 -0.878 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCc2c1cnn2C 728433822 GCATXMNVWWHHNV-QMMMGPOBSA-N 313.383 -0.486 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=NNC(=O)C1 731865906 WMIHVYSXYXVMIU-SSDOTTSWSA-N 308.269 -0.384 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)CNC(=O)c1ccco1 732532997 XTXIRQRIBCQTBZ-UHFFFAOYSA-N 301.324 -0.454 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)nc1 735470611 DGPQQMQGCCGBBG-UHFFFAOYSA-N 303.278 -0.324 50 20 DBGD CC(C)NC(=O)C(=O)NN=C1CCCC[C@@H]1S(C)(=O)=O 741462792 VGSYPZJMZQJZIE-JTQLQIEISA-N 303.384 -0.030 50 20 DBGD Cc1nnc(NNC(=O)[C@@H](C(C)C)N2CCCC2=O)nc1O 748556423 UCPUUSJUFJMOJJ-SNVBAGLBSA-N 308.342 -0.024 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1cccnc1Cl 754478394 YDGCEWLZGGAPPC-UHFFFAOYSA-N 318.786 -0.092 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1C[C@@]12CCOC2 763765119 WBAVSHZNIHLUJF-XHDPSFHLSA-N 318.333 -0.615 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 764299320 GCUPRMFZRMMFFQ-UHFFFAOYSA-N 317.305 -0.395 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccoc2)nc1 769738746 STEVRFCQMUJMNF-UHFFFAOYSA-N 310.291 -0.603 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1=O 772902381 JPHCFCNREBXQHW-VIFPVBQESA-N 307.306 -0.603 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@H]2C(=O)NCC[C@H]2C)n1 799388607 VZCGWMSJDIBJEC-LDYMZIIASA-N 305.338 -0.141 50 20 DBGD NS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1 799858556 AJIZPDIJQWFFEL-SNVBAGLBSA-N 312.351 -0.596 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)N=c1cc[nH]cc1 802032914 KTBJPRCRCXKEEM-UHFFFAOYSA-N 321.337 -0.705 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2CCC(=O)N2C)c1 806365113 OEQWCBHJTFSXRE-GFCCVEGCSA-N 320.349 -0.125 50 20 DBGD COc1cccc(NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 826216487 ATKQCCCFZIODDJ-UHFFFAOYSA-N 316.285 -0.995 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNc3cccnn3)CC2=O)cn1 860752401 QUSWIVHOFDCRBE-SECBINFHSA-N 301.310 -0.294 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1cn[nH]c1 862473282 MDZBESDDXPYFDL-RQJHMYQMSA-N 319.243 -0.372 50 20 DBGD O=C1CC[C@@H](C(=O)NN[C@@H](C(=O)NC2CC2)c2ccccc2)N1 863378737 JKPQTZOPLPTANZ-GXTWGEPZSA-N 316.361 -0.094 50 20 DBGD CON1CCC(N(C)C(=O)c2cc(B(O)O)ccc2F)CC1 863886105 UMGUQSMLLACBEQ-UHFFFAOYSA-N 310.134 -0.397 50 20 DBGD CCO/C=C(/C#N)C(=O)NCCS(=O)(=O)N1CCCC1 888865425 RATSQAVIYXPJII-KHPPLWFESA-N 301.368 -0.028 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=O)NCc1ccco1 920855876 CVERYQLCHKAVHB-UHFFFAOYSA-N 316.339 -0.855 50 20 DBGD COCCCNC(=O)NNC(=O)CCOC[C@H]1CCCO1 920862719 YLPBMBNCPAYNCU-LLVKDONJSA-N 303.359 -0.061 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1118274627 INBKNPFGATWTBR-IUCAKERBSA-N 306.322 -0.373 50 20 DBGD CN(CCNC(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1319094950 MGJFWOPMDKWYOL-UHFFFAOYSA-N 320.353 -0.555 50 20 DBGD COc1ccc(NC(=S)NNC(=O)C(=O)NC2CC2)cn1 1321437653 LWPSCJIIGSPKRJ-UHFFFAOYSA-N 309.351 -0.314 50 20 DBGD O=C(O)c1cccc(S(=O)(=O)NNC(=O)c2cnccn2)c1 1321494252 GSLJTFSHDGFECE-UHFFFAOYSA-N 322.302 -0.202 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCn2ccnc2C1 1326016088 LPSAOTCQRMHHHW-AXFHLTTASA-N 307.354 -0.047 50 20 DBGD C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329977641 DYMUDTHYZIGGML-DTWKUNHWSA-N 300.359 -0.608 50 20 DBGD CCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)C1CCOCC1 1336945665 QRWDFJUKCSPUQY-RYUDHWBXSA-N 315.370 -0.063 50 20 DBGD Cn1cc(C(=O)NNc2nccc(N3CCOCC3)n2)nn1 1343327409 NGPABFWEKZKWMY-UHFFFAOYSA-N 304.314 -0.801 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCCN1C 1346696347 RPKKDWJROOEMBK-NEPJUHHUSA-N 316.402 -0.147 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCCCN1C 1346696348 RPKKDWJROOEMBK-NWDGAFQWSA-N 316.402 -0.147 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1N 1579439898 BBWRMELGDUBTIG-ZWNOBZJWSA-N 301.350 -0.402 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 1590365349 GECKXPNYJMFFGJ-UHFFFAOYSA-N 318.297 -0.934 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1590638337 HVMZMFULTBSHIZ-UHFFFAOYSA-N 304.314 -0.076 50 20 DBGD COC(=O)N(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591270957 SZZAOJMOMMOLHN-UHFFFAOYSA-N 306.286 -0.597 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(F)c1C(=O)O 1599143531 VVCRFZWJEHLOCY-UHFFFAOYSA-N 313.241 -0.744 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)Cc1cccnc1 1601023357 AIZFMGMKWVZIGN-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD COc1ccnc(NNC(=O)c2ccnc(-c3nn[nH]n3)c2)n1 1605338450 RDTYIZNHNGNGQH-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)c2ccncc2)n1 1606348784 NILBUJVTSCERPA-UHFFFAOYSA-N 304.266 -0.171 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)OCCO2 60795521 VSDVMMJSYNWBEV-UHFFFAOYSA-N 319.317 -0.159 50 20 DBGD O=C(N/N=C1/C(=O)Nc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 63421799 IKSMDRZEAOUFBV-MRVPVSSYSA-N 322.346 -0.171 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)NC2CC2)C1=O 68266700 VQIDDUJAZNKXTM-CYBMUJFWSA-N 309.326 -0.800 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)C[C@@H](C)O)n1 156277717 KHCLYXUCWGHRCN-SECBINFHSA-N 300.384 -0.546 50 20 DBGD O=C(COc1ccccc1O)NNS(=O)(=O)[C@@H]1CCOC1 265374813 BBRQLGJCKNWQTH-SECBINFHSA-N 316.335 -0.490 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCO1 266680012 CMPWOSQHEVCILW-LBPRGKRZSA-N 308.338 -0.288 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc(C(F)(F)F)nn1 270056409 PCGPZDWTUNUDCH-UHFFFAOYSA-N 313.261 -0.512 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccc([N+](=O)[O-])cc1 276156697 PNQSOUXWPMQKQK-ZJUUUORDSA-N 323.261 -0.012 50 20 DBGD CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C 290570136 ROLGUQUWJGZYRU-QMMMGPOBSA-N 304.347 -0.172 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)OC)O1 290633510 YCFLCTBQWGDEDK-DTWKUNHWSA-N 303.315 -0.926 50 20 DBGD COCCN(C)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 495889716 FEOYVUFVNRJESK-UHFFFAOYSA-N 318.374 -0.763 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN(CC2CC2)CC1 584931957 DNLSTFSJLFJZBO-UHFFFAOYSA-N 306.146 -0.327 50 20 DBGD O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(B(O)O)cc1 584932805 YZKFUOZPAOTWBM-CQSZACIVSA-N 315.138 -0.006 50 20 DBGD COC1CCN(CCNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584959827 DQVIVCGHKYMIHO-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 584986903 NXCQFAMWFWZILZ-HATUHQCHSA-N 305.114 -0.653 50 20 DBGD NS(=O)(=O)c1ccc(OCC(=O)NNc2cnccn2)cc1 734244681 XDVMAOCBTWWSHG-UHFFFAOYSA-N 323.334 -0.354 50 20 DBGD Cc1cnn(CC(=O)NNC(=O)CNC(=O)c2cccs2)c1 751206602 PONMWPINUAVTLA-UHFFFAOYSA-N 321.362 -0.170 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1nc(-c2cccnc2)no1 751580337 REIXUUPMGNCKEK-UHFFFAOYSA-N 312.311 -0.876 50 20 DBGD O=C(CO)NNC(=O)CNC(=O)c1ccccc1OC(F)F 753451764 IPZGCSXUDQCASQ-UHFFFAOYSA-N 317.248 -0.843 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCOC[C@H]2CO)cc1 769903648 NVQZPZOEWUZJGT-CYBMUJFWSA-N 307.350 -0.551 50 20 DBGD C[C@H]1CN(CCN(C)CC(=O)NNC(=O)C2CC2)C[C@@H](C)O1 789329234 MKVHMDJPXKTUAJ-TXEJJXNPSA-N 312.414 -0.415 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1C)C(N)=O 805379028 QCBHSTPEUCAKPJ-NSHDSACASA-N 323.309 -0.274 50 20 DBGD O=C1NC(=O)C(=NNC(=O)c2cc3c(s2)CCC3)C(=O)N1 814215412 OWRYPVNIGBJTJL-UHFFFAOYSA-N 306.303 -0.311 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H]2CO)cc1 822868140 UQVDBZHHOJQAOO-CYBMUJFWSA-N 302.334 -0.224 50 20 DBGD CCCNC(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825747867 ALKUUKIJBRAWGN-ZJUUUORDSA-N 300.359 -0.342 50 20 DBGD COc1ccnc(C=NNC(=O)[C@H](C)CN2CCOCC2)n1 842522036 RKFRWSSWIHKFGX-LLVKDONJSA-N 307.354 -0.096 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843647734 NNABYTHMLJQQCM-IONNQARKSA-N 311.298 -0.328 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1-n1cnnn1 843647888 ORTBCNSSTBVKOO-UWVGGRQHSA-N 316.321 -0.152 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(n2cnnn2)CCCCC1 844620154 RIBKCCNLTKDSFM-QWRGUYRKSA-N 322.369 -0.095 50 20 DBGD CCON1CCC(CC(=O)NNC(=O)C(=O)NC(C)C)CC1 854290913 JIGWTFSTBBYKTN-UHFFFAOYSA-N 314.386 -0.288 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)c1cccc(C)n1 858411188 FKZXTMZUFRLSCO-UHFFFAOYSA-N 310.310 -0.476 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCOC(=O)N1 861576276 CLSDBEKVLLCMLK-MRVPVSSYSA-N 303.315 -0.579 50 20 DBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C(=O)OC(C)(C)C 863466317 TXHBKHAPRITODJ-SSDOTTSWSA-N 308.356 -0.844 50 20 DBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NN(C)C(=O)OC 875511136 PLBUXZFRXBCJFP-NXEZZACHSA-N 305.331 -0.281 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 884439122 VCWQAGQBRQJPKP-AVGNSLFASA-N 308.382 -0.161 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CCCC(=O)N1C 907195689 KEXHSDNYNOVNRR-MRVPVSSYSA-N 304.441 -0.144 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)Cc1nc2ccccc2n1C 913535887 HQHKCCQLTJFRMA-SECBINFHSA-N 317.349 -0.212 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 1320509901 BZBJEELBEHUSTL-UHFFFAOYSA-N 303.282 -0.923 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)cn1 1321624897 OBSVRRGLHLUOOI-UHFFFAOYSA-N 305.216 -0.313 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2nonc2c1 1326448058 JSUBKMOGGVVPDZ-QMMMGPOBSA-N 324.318 -0.582 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2c[nH]c(Br)c2)N1 1335329666 LYPVRMBIPRNJQK-ZCFIWIBFSA-N 315.127 -0.183 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(S(C)(=O)=O)CC1 1340898243 LKYKVMQOCKANDL-SECBINFHSA-N 305.400 -0.559 50 20 DBGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1345812973 QTVSWBJVHFPCEF-NXEZZACHSA-N 323.353 -0.025 50 20 DBGD C[C@@H]1[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@H]2CC[C@H]1N2 1576580184 UREQNNBNYOFTEU-LXUNUROVSA-N 309.370 -0.876 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc(C3CCNCC3)o2)cn1 1579953207 NVMBVCWIOFXIKM-UHFFFAOYSA-N 318.337 -0.050 50 20 DBGD CNC(=S)N(C)NC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1591215324 KISPSDKKPRRARR-UHFFFAOYSA-N 322.354 -0.643 50 20 DBGD O=C(NNC(=O)c1ccsc1-c1nn[nH]n1)c1cc[nH]n1 1593159240 HXZLELIUNHTUHP-UHFFFAOYSA-N 304.295 -0.274 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1(CO)CCOCC1 1593164302 AOJLLFXXBDECNM-UHFFFAOYSA-N 319.325 -0.506 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604840094 CFNNXYQMEAMJMD-MRVPVSSYSA-N 302.298 -0.674 50 20 DBGD CCC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384498 ZYLINYCPAYRIHL-UHFFFAOYSA-N 310.398 -0.027 50 20 DBGD CCOC(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 21771954 UPOSICOQYQUDMQ-UHFFFAOYSA-N 300.315 -0.126 50 20 DBGD C[C@@H](CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 49119708 QIGGKWDWMAPPNX-WCBMZHEXSA-N 303.384 -0.060 50 20 DBGD C[C@H]1C(=O)NCCCN1CC(=O)NNC(=O)c1ccccc1 189265024 YNWPAHIJSACVPC-NSHDSACASA-N 304.350 -0.342 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)NCc1ccco1 266062426 KKWBCPOUUPIXHD-UHFFFAOYSA-N 318.355 -0.562 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](O)[C@]12CCSC2 585008033 FGLZPZSSVKGMML-TZMCWYRMSA-N 307.180 -0.551 50 20 DBGD O=S1(=O)CCC[C@H]1CNCc1ccc(B(O)O)cc1F 585044612 OBMIMCHYLXJKLP-NSHDSACASA-N 301.148 -0.828 50 20 DBGD C[C@H]1CCN(C(=O)c2nc(-c3cccc(B(O)O)c3)no2)C1 585051868 FTOKDORCVLEYTC-VIFPVBQESA-N 301.111 -0.102 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)cn1 728853507 PLEDFHMWZLECFP-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CC1)[C@@H]1COc2ccccc2O1 738507224 ZNIDXBOHUJXVNU-JTQLQIEISA-N 306.274 -0.161 50 20 DBGD Cc1[nH]nc(S(=O)(=O)NNC(=O)C(C)(C)C)c1C(=O)O 738829972 WWFFCHMLHHEURD-UHFFFAOYSA-N 304.328 -0.228 50 20 DBGD Cn1cc(C(=O)NNc2ccc(Cl)nc2)c(=O)n(C)c1=O 743818655 HVBGETYARWLWSL-UHFFFAOYSA-N 309.713 -0.111 50 20 DBGD N#Cc1cccc(NNC(=O)C2CCN(S(N)(=O)=O)CC2)c1 748049988 RBOOCJBZIYDIGP-UHFFFAOYSA-N 323.378 -0.083 50 20 DBGD O=Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)[nH]1 749946299 AQJXBUONDYBNES-UHFFFAOYSA-N 304.262 -0.389 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)COc1ccccc1O 751605143 SKTISDRDYYZDJN-VIFPVBQESA-N 307.306 -0.461 50 20 DBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)CC2CC2)n1 756311684 SDCWRHLSOYWVFT-UHFFFAOYSA-N 308.342 -0.076 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2nsnc2c1 776701259 DBWQIHGNISAWQH-UHFFFAOYSA-N 307.335 -0.023 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NN(C)C(N)=O 778415866 TZCYOQPHTCVHAC-VIFPVBQESA-N 306.388 -0.378 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)N1CCC[C@H]1C(=O)OCC 782477883 CATOJSDZFIFMRD-VIFPVBQESA-N 322.387 -0.575 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 786826753 JGOSCZLMYIXQOK-VHSXEESVSA-N 300.359 -0.355 50 20 DBGD COCCONC(=O)NNC(=O)COc1ccccc1OC 789353687 XJXDAVKNRBUEGA-UHFFFAOYSA-N 313.310 -0.018 50 20 DBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 814380569 KAZDKKRXLWLYCG-HBNTYKKESA-N 318.395 -0.226 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CC2 826115031 ZZTVJBZIDWJCSM-JMJZKYOTSA-N 322.369 -0.343 50 20 DBGD O=C(NN=C1CS(=O)(=O)Cc2ccccc21)C(=O)NC1CC1 853283032 ZUORPVWPMGIWPQ-UHFFFAOYSA-N 321.358 -0.286 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN(C)C(=O)OC 854279927 HAPZTYATBDJAKA-UHFFFAOYSA-N 306.388 -0.441 50 20 DBGD CNC(=S)N(C)NC(=O)c1csc(S(N)(=O)=O)c1 854926883 ODSULCWFNKUSDT-UHFFFAOYSA-N 308.410 -0.524 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=S)NCC2CCC2)CC1 855088449 ZTQOQTCHSIWPNI-UHFFFAOYSA-N 306.413 -0.897 50 20 DBGD C[C@@H](NC(=S)NNC(=O)C1=NN2CCCN=C2N1)C1CC1 855096413 AHTABWRBMBVMGQ-SSDOTTSWSA-N 309.399 -0.741 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1COCCN1 861680719 BGTCZVXMFCPZRF-GFCCVEGCSA-N 322.365 -0.226 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863461557 MXFHKQDBBPLKOF-ZDUSSCGKSA-N 314.363 -0.260 50 20 DBGD Cc1nn(CCCl)c(C)c1C(=O)NCC(=O)NCCO 1319433619 VEMDUDVZHYLKRD-UHFFFAOYSA-N 302.762 -0.423 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1 1321035583 VHPQCWXHMUZOHN-HRDYMLBCSA-N 319.383 -0.923 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C)C2=O)cc1 1321316967 RQMXHILNEQYGQS-NSHDSACASA-N 306.322 -0.130 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)c(C)c1 1321668324 WQGXDPNNGPFBHG-UHFFFAOYSA-N 314.685 -0.698 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc2c(c1)OCO2 1322254810 WALKHQHPWGHQIQ-UHFFFAOYSA-N 309.278 -0.539 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 1324433229 LIMIJLNDOYDLTR-PELKAZGASA-N 304.368 -0.880 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nnc2n1CCCC2 1325999880 RJGAZVSNORJZGJ-UWVGGRQHSA-N 322.369 -0.130 50 20 DBGD COc1ccccc1C(=O)C(=O)NNC(=O)CS(C)(=O)=O 1329590671 VYAQKJNVJYXICK-UHFFFAOYSA-N 314.319 -0.930 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NN(C)C[C@@H](C)O)cc1 1339538638 FGUCGEISWDXAEH-SNVBAGLBSA-N 315.395 -0.519 50 20 DBGD CN(C[C@H]1COCCO1)C(=O)NNC(=O)c1cccc(F)n1 1350394575 PSLWCFHYBIYKQI-VIFPVBQESA-N 312.301 -0.078 50 20 DBGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1517957869 SQLWPLCIHNEBBA-QMMMGPOBSA-N 323.305 -0.657 50 20 DBGD COCCN(C)NC(=O)/C=C(\C)C(=O)NN(C)CCOC 1528409640 PJBJJUDJTWWQTI-ZHACJKMWSA-N 302.375 -0.849 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cn(C)nn1)[C@@H](N)c1ccccc1 1575072302 TYBUVXHZKMHWTC-BXKDBHETSA-N 302.338 -0.088 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1 1591367538 MDRDGLWTXSYSCM-UHFFFAOYSA-N 309.261 -0.195 50 20 DBGD COCCONC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1591440166 ZDFLDYQKFLJBNZ-UHFFFAOYSA-N 321.297 -0.611 50 20 DBGD CC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362573 GCZPTTYWRKEAAE-UTINFBMNSA-N 306.721 -0.301 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CC1=O 75541694 NOXATDBKHOKQDF-NSHDSACASA-N 304.350 -0.008 50 20 DBGD O=C(CNC(=O)c1cccc(F)c1)NNC(=O)Cc1cc[nH]n1 186124805 VUEZRLZMCIEAQZ-UHFFFAOYSA-N 319.296 -0.331 50 20 DBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 266800231 GVTOVVHQQCGXAH-BDAKNGLRSA-N 311.338 -0.608 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1ccc2ccccc2c1=O 280688717 QZQIVSQWQYKWFK-UHFFFAOYSA-N 302.334 -0.290 50 20 DBGD CC(C)NC(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 299308468 RQJUCVMKLIZMHG-NXEZZACHSA-N 310.354 -0.100 50 20 DBGD CN(C)C(=O)NNC(=O)CCNC(=O)OCC(F)(F)F 299384506 PHADGKMETBQXQP-UHFFFAOYSA-N 300.237 -0.033 50 20 DBGD O=C(O)C[C@@H]1COCCN1S(=O)(=O)CBr 368409263 DAIYQYIEYRXWLR-ZCFIWIBFSA-N 302.146 -0.156 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 373200390 HDPFDAKCCFLRCW-LLVKDONJSA-N 323.324 -0.182 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 495174137 NJEGBUJYQNISEE-LURJTMIESA-N 313.232 -0.711 50 20 DBGD CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NNC(=O)CO 496250648 BDNDUFGHABQEIW-VIFPVBQESA-N 314.342 -0.287 50 20 DBGD COc1cncc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)n1 496539797 MRYIZYSPOUGAHZ-UHFFFAOYSA-N 311.298 -0.020 50 20 DBGD CC(=O)N1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584926389 MOVSUDLQEOWUHK-UHFFFAOYSA-N 308.118 -0.800 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CN2CCCC2)C1 584952363 VYIQWZQWUDWDRV-CYBMUJFWSA-N 302.183 -0.076 50 20 DBGD COCCOC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584955535 OMDAQNHYTVGDOU-GFCCVEGCSA-N 307.155 -0.509 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(B(O)O)c1 584964371 HDGZWMIQRMIUKD-OLZOCXBDSA-N 304.155 -0.599 50 20 DBGD O=S(=O)(Cc1cccc(Br)c1)NCB(O)O 585059278 HHTDEXFBJQMJTA-UHFFFAOYSA-N 307.962 -0.120 50 20 DBGD CCc1[nH]c(C(=O)NNC(=O)c2cnn[nH]2)c(C)c1C(=O)OC 729456414 JSUAHZKVTIUOMW-UHFFFAOYSA-N 320.309 -0.135 50 20 DBGD Cn1cc(C(=O)NNC(=O)CN2Cc3ccccc3C2=O)cn1 735472996 ITMRCFLTGLVAGU-UHFFFAOYSA-N 313.317 -0.163 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1cccc(-c2nnnn2C)c1 742026922 WXEVNPAOBNMCJB-UHFFFAOYSA-N 324.366 -0.157 50 20 DBGD NC(=O)COc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1 745992008 RAELPTYWHPKQLJ-UHFFFAOYSA-N 322.321 -0.763 50 20 DBGD CC(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CO)c1 771739388 RXXZKAMNZKVHNH-UHFFFAOYSA-N 300.336 -0.378 50 20 DBGD CSc1cc(CNC(=O)NNC(=O)C(=O)NC2CC2)ccn1 772592962 IZSISUGZILNXBQ-UHFFFAOYSA-N 323.378 -0.088 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(C(N)=O)cs2)CC1 773658353 MAVGDFSBBAKIRR-UHFFFAOYSA-N 311.367 -0.551 50 20 DBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)CC1CC1 819109883 NNJFPKVTADIEAU-JTQLQIEISA-N 303.384 -0.252 50 20 DBGD C=CCCn1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)nn1 820971484 UPVRAXLSTXEFPN-VIFPVBQESA-N 309.326 -0.043 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 825034918 UGFVXOZSAWVNHE-UHFFFAOYSA-N 310.339 -0.105 50 20 DBGD CCc1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n1 825731800 KJCYPUJAZKRSEW-QMMMGPOBSA-N 314.367 -0.657 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)CO1 828428132 TXEMVNXTRFBEJJ-RQJHMYQMSA-N 307.314 -0.128 50 20 DBGD CS[C@@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@H]1N(C)C 828551253 ZKGFYCWTWIUPQA-GHMZBOCLSA-N 302.444 -0.233 50 20 DBGD NCCC(=O)N1CCN(S(=O)(=O)CBr)CC1 832144352 GACOUXWNQGGEMR-UHFFFAOYSA-N 314.205 -0.838 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)nc1C 842591245 XIVJHMGRPHRHDM-WPRPVWTQSA-N 316.383 -0.054 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 854260009 FWGUNHHXUFQQRD-NSHDSACASA-N 309.322 -0.258 50 20 DBGD C[C@H]1CN(CCCNC(=O)NNC(=O)c2cn[nH]c2)C[C@H](C)O1 858128052 ZKMHMEWMLQKYCI-QWRGUYRKSA-N 324.385 -0.147 50 20 DBGD COCCCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 861571140 VYYSKYJHJNOXHY-UHFFFAOYSA-N 324.385 -0.479 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCOc3ccccc32)N1 862454470 GSOFNDHFLRTDSM-GHMZBOCLSA-N 303.318 -0.021 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)CN1CCOCC1 874442684 UFEWMNMCMQSICB-UHFFFAOYSA-N 309.370 -0.162 50 20 DBGD COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)CCCCl)C1 882258544 SUXYCDOHXHFJNB-SNVBAGLBSA-N 312.819 -0.018 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)[C@@H]2COC[C@H]2O)c1 886514393 OHZIBCVPXNDURE-CHWSQXEVSA-N 307.350 -0.552 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1n[nH]c(O)n1 918279031 LNDYNDMBMMHFNI-LURJTMIESA-N 309.257 -0.122 50 20 DBGD Cc1ccc(OCC(=O)NNC(=S)NCC(=O)N(C)C)cc1 918717002 IYNIMBPDHAHGEK-UHFFFAOYSA-N 324.406 -0.043 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H]1COCCC1(OC)OC 931672171 BCMMDJPGIGMGKW-VHSXEESVSA-N 303.359 -0.700 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)Cc1ccncc1 1116192718 UPTRLPGGKFPJEY-UHFFFAOYSA-N 318.333 -0.299 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cncn1 1320257619 CZYXCYCLVUYLJS-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)nc1 1320521511 ZTQDBWUCBKFBSV-SNVBAGLBSA-N 324.337 -0.473 50 20 DBGD CCCOc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1325519482 KVEMDQPPDAYUNJ-UHFFFAOYSA-N 309.322 -0.056 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCC1(O)CCOCC1 1329254896 VVMUHSDALGYWCU-GHMZBOCLSA-N 315.370 -0.327 50 20 DBGD CC(=O)NNC(=O)c1cn(C)nc1I 1339305280 HDPBDVBUYUEPII-UHFFFAOYSA-N 308.079 -0.194 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1574103848 BXBRXPHMKCYWGN-VIFPVBQESA-N 317.342 -0.824 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1)c1cc(-c2ccccc2)on1 1574334977 YCJVXLCZSIMCKM-MNOVXSKESA-N 316.317 -0.175 50 20 DBGD COC[C@@H](CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1)OC 1591375143 BBXOQYDSGLDXPV-SECBINFHSA-N 322.329 -0.451 50 20 DBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)ccn1)c1cccnc1 1593157628 RVHXKXAYYVOCLJ-UHFFFAOYSA-N 310.277 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O=C(NCCC(=O)N1CCCCCC1)c1cccc(B(O)O)c1 584936274 ASQYDQCLMFJQEH-UHFFFAOYSA-N 318.182 -0.111 50 20 DBGD C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(B(O)O)cc1 584945623 JIWJOLOATMUTEL-UWVGGRQHSA-N 313.184 -0.740 50 20 DBGD O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc(B(O)O)ccc1F 584963537 UVCIPMUHSCNSRV-JTQLQIEISA-N 303.102 -0.484 50 20 DBGD CCO[C@@H]1C[C@@](O)(CNC(=O)c2cccc(B(O)O)c2)C1(C)C 584980287 VOIDPJZIJCMALX-CZUORRHYSA-N 321.182 -0.338 50 20 DBGD CC(C)(C)N1CC[C@@H](NCc2ccc(B(O)O)cc2F)C1=O 585048200 KVZDXPPPHBKUDD-CYBMUJFWSA-N 308.162 -0.006 50 20 DBGD CCN1CCO[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1 746092399 MLNHRCMMXCHZNM-ZDUSSCGKSA-N 321.333 -0.103 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)Cc1ccncc1 747322787 NCCGGVJQAMBHEX-UHFFFAOYSA-N 317.305 -0.108 50 20 DBGD COc1ncnc(N)c1C=NNC(=O)[C@H](C)CN1CCOCC1 747630575 RFPTXBVHEVTBOW-SNVBAGLBSA-N 322.369 -0.514 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCNC(=O)C2)cc1 754450195 IPSSVQSOVDCHEE-SNVBAGLBSA-N 320.349 -0.219 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)Cc1ccncc1 759813942 WMYLMSLTWYSOFE-UHFFFAOYSA-N 316.317 -0.353 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n1 763818774 OSITVLFIRVPXCD-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccccc1CC#N 776969355 DFEPKZGCPSZNEY-UHFFFAOYSA-N 302.334 -0.033 50 20 DBGD CC[C@@H](CO)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 779740524 PRCXDHOYGDDWKH-VIFPVBQESA-N 314.363 -0.130 50 20 DBGD COc1ccnc(NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1 788282278 VUDALFFHSCZPPW-JGVFFNPUSA-N 302.356 -0.003 50 20 DBGD COCCN(C)c1ccc(C=NNC(=O)NCC(=O)OC)cn1 790175063 XWDLAUBLMMSPSS-UHFFFAOYSA-N 323.353 -0.030 50 20 DBGD COc1ccccc1CONC(=O)NNC(=O)C(=O)NC1CC1 798534215 BUDSLLOCMIFDBS-UHFFFAOYSA-N 322.321 -0.264 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(F)c(S(C)(=O)=O)c1 806771460 QTVHTYMKHDHBCW-UHFFFAOYSA-N 317.342 -0.448 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccnc(C3CC3)n2)CC1 807378673 JABFEYCYQTXAKD-UHFFFAOYSA-N 304.354 -0.044 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)NC1CCCC1)S(N)(=O)=O 824349087 HIQNTHAEIZLGDY-VIFPVBQESA-N 306.388 -0.283 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825924747 FGTLETJKVUQFAZ-WDEREUQCSA-N 302.375 -0.680 50 20 DBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)[C@H]1COCCO1 833015464 GAMHCXAKVXXDLZ-GFCCVEGCSA-N 324.337 -0.160 50 20 DBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](C)O1 844418180 GYZRZWHSMPLNRY-UWVGGRQHSA-N 315.370 -0.558 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)C[C@H]1COCCO1 852495424 KGOIHGXXFRJRJZ-NEPJUHHUSA-N 301.387 -0.084 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1cc[nH]n1 855362062 MTRSNZGEKMRUHT-UHFFFAOYSA-N 320.309 -0.965 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC2Cc3ccccc3C2)N1 858363436 UUNWVUOYKJDSAV-GFCCVEGCSA-N 302.334 -0.237 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1 858624761 KKNFCSAIWNQHFQ-ZETCQYMHSA-N 313.289 -0.427 50 20 DBGD CC(C)OC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858696689 LEJCVWXDPFQBDN-LLVKDONJSA-N 312.370 -0.105 50 20 DBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862451870 AWDOQPVVIQQXAF-SNVBAGLBSA-N 310.354 -0.891 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC(=O)c3ccccc32)N1 862458611 GWHRMBHNVWTEMY-WDEREUQCSA-N 301.302 -0.217 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@H](O)c1cccc(F)c1 863464705 SNMSFQZBPQOLMG-JTQLQIEISA-N 318.326 -0.559 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1csc2nccn12 869908628 SDUIFWPORAAOJV-UHFFFAOYSA-N 312.351 -0.251 50 20 DBGD C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1C 911777947 IBSCZZANPLFUPL-DJLDLDEBSA-N 308.118 -0.757 50 20 DBGD O=C(Cc1csc2nccn12)NNC(=O)CN1CCCC1=O 913731378 GCDNOSQNUQGNNB-UHFFFAOYSA-N 321.362 -0.292 50 20 DBGD O=C(NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)[C@@H]1CCS(=O)(=O)C1 929452558 GEYYQWZMXSZHME-ZNSALQAWSA-N 312.391 -0.139 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 1116851164 DUNVFNUVPJGKAS-UHFFFAOYSA-N 304.306 -0.081 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1119581883 ONTKGVNLEAUQSI-FXQIFTODSA-N 318.317 -0.447 50 20 DBGD NC(=O)Cn1cc(C(=O)NNC(=O)c2ccccc2Cl)nn1 1318724233 YSUCOXIDTLSDSK-UHFFFAOYSA-N 322.712 -0.508 50 20 DBGD CC(C)OCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319917700 ITDGDPBVAMOOKK-SECBINFHSA-N 307.372 -0.681 50 20 DBGD CN(NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(N)=O 1320526776 NUUYUEFVYZUSKS-UHFFFAOYSA-N 301.306 -0.048 50 20 DBGD Cc1cnc(COCC(=O)NNC(=O)C(=O)N2CCCC2)o1 1322902111 ZUFOCFHYCGOXLM-UHFFFAOYSA-N 310.310 -0.731 50 20 DBGD Cc1onc(CC(=O)NNC(=O)C(=O)N2CCCC2)c1C#N 1325051106 OVHWMSFSYZXGSG-UHFFFAOYSA-N 305.294 -0.833 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C)C2)cc1 1340569858 AJHQRFJRQRYGEQ-SNVBAGLBSA-N 306.322 -0.130 50 20 DBGD CO[C@@]1(C(=O)NN[C@H](C)C(F)(F)F)CCS(=O)(=O)C1 1350817642 FCQHAZSJCYOCCD-SVRRBLITSA-N 304.290 -0.238 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNC(=O)[C@@H]2CCCNC2)CC1=O 1575596417 YKDQOTFFYFMBRI-VXGBXAGGSA-N 310.398 -0.362 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[C@@H]1CCN1 1580732699 GRHBIWBZZRSZJZ-KOLCDFICSA-N 306.322 -0.863 50 20 DBGD OB(O)c1cccc(CNCc2ccc(-c3nn[nH]n3)cn2)c1 1582809189 RAYRIPKDYIIBCX-UHFFFAOYSA-N 310.126 -0.769 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)N(C)CCO)cc(-c2nn[nH]n2)n1C 1591814269 QSDBRZAEMQIDKU-IZZDOVSWSA-N 315.337 -0.129 50 20 DBGD OB(O)[C@H]1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 1593498447 NVMQQEMUCPVIJJ-JTQLQIEISA-N 313.130 -0.437 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1ncccn1 1606854075 QGPYPGNELPOSSO-UHFFFAOYSA-N 300.238 -0.676 50 20 DBGD CC1(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)COC1 1841348288 JXKVPSWBFMJPHJ-SNVBAGLBSA-N 316.785 -0.174 50 20 DBGD CC(C)CC(=O)NNC(=O)C1CCN(S(C)(=O)=O)CC1 25635780 BYIRIGBDGRDSHJ-UHFFFAOYSA-N 305.400 -0.149 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCCS2(=O)=O)cc1 61463258 DBSYCQYCVXVSRV-UHFFFAOYSA-N 322.346 -0.645 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[nH]1 133882367 FWTJBYPYNKRVRM-UHFFFAOYSA-N 322.288 -0.063 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1cc(Cl)nc(N)n1 273566976 XDVHVRMLEYGSSM-UHFFFAOYSA-N 308.751 -0.905 50 20 DBGD CSCCNC(=S)NNC(=O)C[C@@H]1CCCC(=O)N1 291688276 NPFGWBYHSMLSKA-QMMMGPOBSA-N 304.441 -0.097 50 20 DBGD Cc1oc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@@H]1CCCO1 292115962 QXJIYWQAEGNNEU-ZETCQYMHSA-N 318.307 -0.225 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2-n2cnnn2)O1 293928199 NWGCAYZZUHHVCA-CABZTGNLSA-N 316.321 -0.009 50 20 DBGD C#CCNC(=O)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 491155841 VPTWLWWYEQENEB-UHFFFAOYSA-N 306.366 -0.995 50 20 DBGD C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)CCS1(=O)=O 584982237 JEYCCKIRKSSWLH-JTQLQIEISA-N 311.168 -0.984 50 20 DBGD O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1cc(B(O)O)ccc1F 584997311 AOMMVMXRJBNUQM-GWCFXTLKSA-N 320.129 -0.611 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)o1)C(=O)N1Cc2ccccc2C1 585039589 UHWHXYLRMGRHMK-LLVKDONJSA-N 314.150 -0.020 50 20 DBGD C[C@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CC(=O)N1 585054571 XWUIMOHETUKJOS-WPRPVWTQSA-N 301.111 -0.202 50 20 DBGD O=C(NN=C1CCS(=O)(=O)c2ccccc21)C(=O)NC1CC1 725852608 PEEUSGNXUFHJQZ-UHFFFAOYSA-N 321.358 -0.037 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)c1ccccc1 729158358 WZPDUNWWBCPGLN-UHFFFAOYSA-N 301.393 -0.160 50 20 DBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)CC(F)(F)F 729614885 UAGPEGAYYIWGHQ-MRVPVSSYSA-N 312.292 -0.010 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cccc[n+]2[O-])C[C@@H](C)O1 732263477 NBJTUYWUQJJSOA-VXGBXAGGSA-N 322.365 -0.420 50 20 DBGD O=C(NNC(=O)c1ccccn1)c1ccc(-c2nn[nH]n2)nc1 738134817 UJXICJHBPFAFRM-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)C(=O)NC1CC1 751303843 ZGRIHCRBBSYIHR-UHFFFAOYSA-N 310.354 -0.891 50 20 DBGD Cn1c(C(=O)NNC(=O)COc2ccccc2O)cccc1=O 756986533 YUUYWQCBGLOETM-UHFFFAOYSA-N 317.301 -0.069 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)C(C)(C)C(N)=O 769864265 IXFKTFQFAWVHPT-UHFFFAOYSA-N 308.338 -0.234 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C(C)=O 772211131 FHHPXTMWOXQROR-MWLCHTKSSA-N 313.354 -0.124 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CCN(C)C(=O)[C@@H]2C)n1 793219772 DEMISMJWILHVCU-JTQLQIEISA-N 305.338 -0.093 50 20 DBGD CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)NNC(=O)c1ccccc1 794575840 GYCFCTTWMVXBCA-STQMWFEESA-N 318.377 -0.048 50 20 DBGD CS(=O)(=O)N1CC(CNC(=O)NNc2ncccc2F)C1 805314086 KUCGOMMYJMHRJG-UHFFFAOYSA-N 317.346 -0.262 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNc2nc3ccccn3n2)C1=O 824788091 IUIROLMKOJISGQ-QMMMGPOBSA-N 317.309 -0.497 50 20 DBGD CC(C)OC[C@H](C(=O)O)N(C)CC(=O)NNC(=O)C1CC1 827016180 LUTQNAAFDAZQMT-SNVBAGLBSA-N 301.343 -0.646 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 831594756 WUDYOSOHOLKLGH-SFYZADRCSA-N 309.282 -0.011 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1=COCCO1 855828800 KCUIPAJNDHPENB-UHFFFAOYSA-N 313.354 -0.036 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 860668579 SRTUMLAPZMUANQ-VIFPVBQESA-N 308.342 -0.535 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC(c3ccccc3)=NO2)N1 862451550 DLYWZIAZLCXXBT-JQWIXIFHSA-N 316.317 -0.394 50 20 DBGD Cc1cccc2c1O[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C2 863465333 BPRMASSBTTZEDJ-JTQLQIEISA-N 312.347 -0.509 50 20 DBGD COC(=O)c1oc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1C 864231272 GGDVFTYHDYZDSR-MRVPVSSYSA-N 317.128 -0.388 50 20 DBGD Cn1ncc2c(O)nc(CCC(=O)NNC(=O)CC3CC3)nc21 1117772332 DGGDWBZHXLLLKV-UHFFFAOYSA-N 318.337 -0.051 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(N(C)C)c(F)c1 1319298303 BVZJGALFVKZMQI-UHFFFAOYSA-N 312.301 -0.105 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccccc1C(N)=O 1321469404 GKDXRKAFXZDUCB-UHFFFAOYSA-N 320.349 -0.610 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C)CC2)n1 1324141063 ZGXOCECMNAKMPM-UHFFFAOYSA-N 311.411 -0.611 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCn2ccnc2C1 1326016089 LPSAOTCQRMHHHW-DCAQKATOSA-N 307.354 -0.047 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nnc(O)n2c1 1326380555 HZHAQVAQMOIGIZ-IONNQARKSA-N 305.294 -0.379 50 20 DBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)N(C)C 1328184803 LHIRGZWMPJEZBZ-UHFFFAOYSA-N 301.328 -0.895 50 20 DBGD O=C1CC[C@H](C(=O)NN=Cc2cn(Cc3cccnc3)nn2)N1 1329112127 WECYBGINZRCJQQ-GFCCVEGCSA-N 313.321 -0.550 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCC(=O)N1 1333607224 XEQTZQILAXFQAY-ZDUSSCGKSA-N 309.301 -0.167 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)C(=O)NC2CC2)c1C 1338412498 NQTYOXJUVNQQDV-UHFFFAOYSA-N 322.369 -0.371 50 20 DBGD C[C@@H](C(=O)NNc1ccccn1)n1cnc(-c2nn[nH]n2)n1 1589000315 XWTCSOYDTVANOR-ZETCQYMHSA-N 300.286 -0.443 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCc2ccc(C(=O)O)s2)nn1 1600932424 OAZIRNRRXBXBRZ-UHFFFAOYSA-N 324.322 -0.281 50 20 DBGD O=C(Cc1cccc(C(=O)O)c1)NNC(=O)CN1CCCC1=O 1608364142 AKFPEKXWJSXDRH-UHFFFAOYSA-N 319.317 -0.303 50 20 DBGD CC(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 264328075 RUEBTHSFVMJNCV-OLZOCXBDSA-N 321.333 -0.074 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCN2CCOC(C)(C)C2)cn1 265396761 NYJLDQHERCYPGK-UHFFFAOYSA-N 324.385 -0.525 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cnn(C)c1 265515018 BJMAHYGULZUILR-SECBINFHSA-N 307.354 -0.124 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)n1 268438828 LFNAEJBFRUMPGK-HTQZYQBOSA-N 310.314 -0.856 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1O 274642058 FOJZTMZVMWIZON-UHFFFAOYSA-N 310.266 -0.013 50 20 DBGD CCN(CCOCCO)CC(=O)NNC(=O)c1ccccc1 281986091 HZPANEBLIIKOLI-UHFFFAOYSA-N 309.366 -0.222 50 20 DBGD O=C(NNc1nc2ccccn2n1)[C@H]1CN2CCCN1CC2 365134400 FXVPVFUMGGUDTA-LLVKDONJSA-N 301.354 -0.438 50 20 DBGD COC(=O)NCC(=O)NNC(=O)COc1ccc(C#N)cc1 490787067 LONLLJJUIXNBLF-UHFFFAOYSA-N 306.278 -0.560 50 20 DBGD CC(C)C(=O)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584940581 WQXYPFIMUXNSTP-UHFFFAOYSA-N 318.182 -0.303 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1=O 584947716 ZBOJCGWOGIGZHD-GFCCVEGCSA-N 308.118 -0.755 50 20 DBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)c1nncn1C 584978629 BUTVFMWVCJUCRB-MRVPVSSYSA-N 306.106 -0.833 50 20 DBGD COCCC(=O)N1CCC(NCc2ccccc2B(O)O)CC1 585031695 XKFPPVBMBZRHPF-UHFFFAOYSA-N 320.198 -0.517 50 20 DBGD COc1c(F)cc(S(=O)(=O)NCB(O)O)cc1[N+](=O)[O-] 585059500 PSHNPJZDJPPNCT-UHFFFAOYSA-N 308.052 -0.967 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1 764204771 YSYXVCCMZSJGIC-UHFFFAOYSA-N 321.362 -0.056 50 20 DBGD COC(=O)COc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1 782224702 AYLKIICCAOLQBE-UHFFFAOYSA-N 319.317 -0.033 50 20 DBGD NC(=O)c1ccccc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 788715254 VZMRDNNZQFBNET-SNVBAGLBSA-N 324.362 -0.394 50 20 DBGD COc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1C#N 799479000 RYGHOERPSXYTBV-VIFPVBQESA-N 324.362 -0.045 50 20 DBGD COCC(C)(C)N1CCN(CC(=O)NNC(=O)C(C)C)CC1 823455200 JQXUXLMTLILCQS-UHFFFAOYSA-N 314.430 -0.168 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825770894 RRHFXHFUOJLQJC-ZJUUUORDSA-N 300.359 -0.390 50 20 DBGD C[C@H](CC(=O)O)C(=O)NNc1nccc(N2CCOCC2)n1 827303524 GOYOGXYXBQXCGX-SECBINFHSA-N 309.326 -0.133 50 20 DBGD C=C[C@](C)(O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 827855823 JBFAJDLIWHXTLW-ZDUSSCGKSA-N 316.358 -0.222 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)NC[C@@H]2CNCCO2)c1 842010154 DZWAJBNFAOGROU-ZDUSSCGKSA-N 322.365 -0.307 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843975226 QPYKOFIZELDJBX-QXEWZRGKSA-N 309.322 -0.030 50 20 DBGD O=C(NNc1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)N1 845474948 NUKCTZCWHCVVHA-SECBINFHSA-N 323.334 -0.129 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855829365 UDIVFEIBYDLLBH-JTQLQIEISA-N 317.386 -0.262 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[nH]c2c1C(=O)CCC2 862449984 MOHMDHYWJNLXLZ-SECBINFHSA-N 318.333 -0.118 50 20 DBGD Cc1cccc2c1O[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C2 863465334 BPRMASSBTTZEDJ-SNVBAGLBSA-N 312.347 -0.509 50 20 DBGD CCSc1cccnc1C(=O)NNC(=O)CS(C)(=O)=O 863465630 HBCDBNLGLHNDAC-UHFFFAOYSA-N 317.392 -0.001 50 20 DBGD O=C(NNC(=S)NCC1CCC1)c1cccc(B(O)O)c1 863886914 QUKRPLZDLUISHC-UHFFFAOYSA-N 307.184 -0.725 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H](C(F)(F)F)C1 866008349 ZAFFZTLKHSLAGE-SNVBAGLBSA-N 321.035 -0.091 50 20 DBGD CC1CCC(NS(=O)(=O)CC(=O)NN(C)C[C@H](C)O)CC1 910165661 MKQLONWQHOOVCW-CXQJBGSLSA-N 321.443 -0.172 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC2CCN(C3CC3)CC2)cn1 1116092492 PNVIKFMAFGMAKH-UHFFFAOYSA-N 306.370 -0.009 50 20 DBGD Nc1cnnc(NNC(=O)C2CCS(=O)(=O)CC2)c1Cl 1253163450 QRJSKLYNLPOVFB-UHFFFAOYSA-N 319.774 -0.020 50 20 DBGD Cn1cc([C@H](O)C(=O)NNc2ccc(-n3ccnc3)nn2)cn1 1323249245 CGZZQEHONYTNAZ-LBPRGKRZSA-N 314.309 -0.428 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC2CC2)c(=O)n(C)c1 1323945208 UQBJIPDONWIXNY-UHFFFAOYSA-N 306.322 -0.420 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccnn1-c1ccncc1 1323966000 ANAYZANOZFOLKI-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329735700 OMKQULBFXWLFKK-CPCISQLKSA-N 323.353 -0.169 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCNC2=O)CC1 1332507101 GXSAGDGPQZIFSQ-UHFFFAOYSA-N 302.139 -0.891 50 20 DBGD O=C(c1cccnc1N1CCOCC1)N1CC[C@@H](B(O)O)C1 1335429419 CABCTFNGFXTZKD-LLVKDONJSA-N 305.143 -0.393 50 20 DBGD COc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ncn1 1336495461 AZAAOBNVNLEPHU-VIFPVBQESA-N 314.367 -0.409 50 20 DBGD Cc1ncncc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1337475862 LHOGECPAAUADSX-UHFFFAOYSA-N 324.304 -0.164 50 20 DBGD CC[C@H](CO)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1339037453 OKDVIQLYTXQEQM-LLVKDONJSA-N 321.381 -0.141 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2cn3c(n2)CCCC3)nn1 1352028732 IFLJJQRNXLKTJH-UHFFFAOYSA-N 301.310 -0.135 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)[C@@H]1CCCNC1)CSCC2 1579998396 NLHCMEALWYDQMY-SECBINFHSA-N 323.422 -0.030 50 20 DBGD CC(=O)Nc1ccc(CCNC(=O)NNC(=O)C(=O)O)cc1 1589190988 RXQSRPFCIFXNEP-UHFFFAOYSA-N 308.294 -0.398 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 1590365776 NQBLYPDZYRTOCM-UHFFFAOYSA-N 303.282 -0.637 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)c(Cl)n1 1600441613 JFLAKKCMULTTBA-UHFFFAOYSA-N 300.658 -0.786 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)NCCN2CCNC2=O)cc1 1602128028 KNYRMBWVBLKIOD-UHFFFAOYSA-N 321.337 -0.035 50 20 DBGD CN(C)C(=O)CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604667529 AGSHUSIQKQWBNS-UHFFFAOYSA-N 319.329 -0.634 50 20 DBGD CN1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1=O 1604848882 IIKPXOIWJSUOKE-MRVPVSSYSA-N 316.325 -0.427 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)c2cccc(F)n2)n1 1608799112 SNKYVOWXDQLMIJ-UHFFFAOYSA-N 322.256 -0.032 50 20 DBGD CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835195667 FNAQVAUBXCKJON-YPMHNXCESA-N 320.773 -0.938 50 20 DBGD CNC(=O)CCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 272637793 WUMWEUSFOHVXDM-GFCCVEGCSA-N 321.333 -0.110 50 20 DBGD CCc1cncc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 279068663 ZXWALYBPUFOFSK-JTQLQIEISA-N 311.363 -0.160 50 20 DBGD CCC(=O)N1CSC[C@H]1C(=O)NNC(=O)[C@@H]1CCCO1 294701357 RAZVIYACOFZROA-IUCAKERBSA-N 301.368 -0.376 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)CNC(C)=O 298263485 AQYNMRIPFUANQA-UHFFFAOYSA-N 309.322 -0.252 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)c2cnn(C)c2)cn1 492700073 BSUDZKIESHTJDO-ARJAWSKDSA-N 302.294 -0.307 50 20 DBGD C[C@@H](OCC(=O)Nc1cccc(B(O)O)c1)c1nccn1C 584913902 LQTHPDVABZALIJ-SNVBAGLBSA-N 303.127 -0.184 50 20 DBGD CNC(=O)C1(NC(=O)c2cc(B(O)O)ccc2F)CCCC1 584938284 KPLLZQVKQXPYQR-UHFFFAOYSA-N 308.118 -0.706 50 20 DBGD CC(=O)N1CC[C@H](CN(C)C(=O)c2cccc(B(O)O)c2)C1 584967353 TZPQQDBHBBWXMN-GFCCVEGCSA-N 304.155 -0.693 50 20 DBGD O=C(NC[C@@H]1CCCCS1(=O)=O)c1cccc(B(O)O)c1 584972634 CETFBRMBJIUGHN-LBPRGKRZSA-N 311.168 -0.937 50 20 DBGD CC(C)CN1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C)C1=O 584974384 NZEQFCAGHOWECO-LBPRGKRZSA-N 318.182 -0.305 50 20 DBGD CN1CCC(F)(F)[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 585002888 HFAMVGGFDUXWPB-LLVKDONJSA-N 312.125 -0.317 50 20 DBGD Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(B(O)O)cc1F 585040749 AUCDJNBUAFPDGJ-ZFWWWQNUSA-N 319.145 -0.141 50 20 DBGD CN(C)CCCNC(=O)NNC(=O)CNC(=O)c1ccco1 726081456 DXZCJCRDKOAZSK-UHFFFAOYSA-N 311.342 -0.709 50 20 DBGD C=CCCO[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276300 BSVZDSBOXKGYQU-RKDXNWHRSA-N 307.372 -0.947 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735474229 INNWTFABBCXXAF-SSDOTTSWSA-N 317.309 -0.848 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CC1=O 748241390 YJYQOKSQUKHILO-NSHDSACASA-N 324.381 -0.739 50 20 DBGD CC(C)(C)C(=O)Nc1nc(CC(=O)NNC(=O)CO)cs1 753436963 FJSKFAPYITUNLX-UHFFFAOYSA-N 314.367 -0.190 50 20 DBGD COC(=O)CN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 757077927 ZWVFHRYQDIRKRM-UHFFFAOYSA-N 304.306 -0.576 50 20 DBGD N#Cc1ccccc1OCC(=O)NNc1ccc(C(N)=O)nn1 757402002 WOZNPHPOTKSSMG-UHFFFAOYSA-N 312.289 -0.031 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)c1ccncc1 759678180 JKOFZUIFRPEOPO-UHFFFAOYSA-N 302.290 -0.281 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1-c1ncco1 764421183 GSCLTBBKXUEIHA-UHFFFAOYSA-N 318.289 -0.272 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@@H]2C(=O)NCC[C@H]2C)c1 799345960 CGSNTVVYGJULCC-RISCZKNCSA-N 318.377 -0.130 50 20 DBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)S1(=O)=O 805772653 MLRDIDLOPMWJIC-ONGXEEELSA-N 317.411 -0.559 50 20 DBGD O=C(Cc1ccon1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 823115953 ZTOVXNXVZLMXIX-UHFFFAOYSA-N 313.277 -0.142 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)Nc1cccnc1 826075819 BZOBVZPYAKLOAB-KOLCDFICSA-N 321.337 -0.225 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCO[C@H](CC(=O)O)C1 826134970 MMTGYRQKRRSISK-SECBINFHSA-N 301.343 -0.645 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)[C@@H]1CCCCO1 836322512 VPCCDHNUINQFNR-LBPRGKRZSA-N 316.402 -0.146 50 20 DBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842590716 QZGGWFDGYJYTLF-DTWKUNHWSA-N 302.356 -0.537 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nc1C 842591244 XIVJHMGRPHRHDM-WCBMZHEXSA-N 316.383 -0.054 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 843659712 YNKJBDKXSYEKQP-BDAKNGLRSA-N 304.368 -0.474 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1ncncc1Cl 845993746 SRGAFNMHLWZVPM-UHFFFAOYSA-N 323.744 -0.032 50 20 DBGD CC1(C)C(=O)N[C@H]1C1CCN(CC(=O)NNC(=O)C2CC2)CC1 846929058 JYBGOFDJRQMAFI-ZDUSSCGKSA-N 322.409 -0.220 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)CC(F)(F)F)S(N)(=O)=O 855000263 DWFUYHPNASMPRV-YFKPBYRVSA-N 305.278 -0.457 50 20 DBGD CCCN1CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858104171 ASLDLYHGJYGYAA-LLVKDONJSA-N 311.386 -0.530 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(C(N)=O)c1 861164259 NZTQMNCRJMBNPJ-JTQLQIEISA-N 319.321 -0.475 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862461558 QFUUPHQIAKVUKK-IAQYHMDHSA-N 305.334 -0.290 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C2CN([C@H]3CCOC3)C2)n1 895505930 YBRCNYXDCCWSKY-ZDUSSCGKSA-N 321.381 -0.632 50 20 DBGD CCNC(=O)NNC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 920858647 AQZBOSOGZWNXEV-BBBLOLIVSA-N 310.354 -0.100 50 20 DBGD C[C@@H]1C[C@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1116453787 WNVCRVZAOQSYNP-GHMZBOCLSA-N 312.370 -0.246 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)N3CCOCC3)nn2)COC1 1116597259 IURCLMPWXJRCAJ-UHFFFAOYSA-N 324.341 -0.999 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccnc1-n1cccn1 1320542566 DGYPNZABWIEPEB-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCC2 1321131806 XUNXOONGZHJHHW-UHFFFAOYSA-N 311.367 -0.721 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCS1(=O)=O 1329065529 BVGXPGQCFJYGMA-RXMQYKEDSA-N 303.262 -0.544 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)N1 1351352972 NTMKCDQOGALSHL-GMTAPVOTSA-N 309.370 -0.778 50 20 DBGD CN1C(=O)CCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1354019738 QMOWXITXPBEUHO-MNOVXSKESA-N 317.411 -0.510 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)CCCCCN 1579344801 YPPJVMOWBAEWEG-SNVBAGLBSA-N 320.415 -0.923 50 20 DBGD CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)C(=O)O)[C@H]2C1 1589056925 KJIGLPMNHLVERJ-GUBZILKMSA-N 312.326 -0.952 50 20 DBGD Cc1cc(CNC(=O)c2ccc(B(O)O)cc2)oc1C(=O)O 1600202259 AWBLAWLKJYBQNW-UHFFFAOYSA-N 303.079 -0.104 50 20 DBGD COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)C(=O)O)c1 1607326663 QPXCXGPTEDTNDU-QMMMGPOBSA-N 311.294 -0.123 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 1609558274 YSMWSHQQYGQJJU-UHFFFAOYSA-N 315.293 -0.637 50 20 DBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1cc(OC)cc(OC)c1 1610150000 WARPRXCWGFAVFB-JTQLQIEISA-N 312.278 -0.377 50 20 DBGD COC(=O)CNC(=O)NN=Cc1snc(C)c1C(=O)O 1776052350 DFUCSHYGLMOPLY-UHFFFAOYSA-N 300.296 -0.044 50 20 DBGD C[C@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110390 QZKWYCOVHABVJG-RMPHRYRLSA-N 317.817 -0.181 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(O)c1 67844353 HYTVAXZWPMSTSI-QMMMGPOBSA-N 315.351 -0.601 50 20 DBGD CN(C)C/C=C/C(=O)NNC(=O)CNC(=O)c1cccs1 265678240 VEZAUXCAWMBIIP-ZZXKWVIFSA-N 310.379 -0.257 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N[C@@H]1CCN(C)C1=O 265703233 SBGQGRGUNGEELK-SNVBAGLBSA-N 306.322 -0.130 50 20 DBGD CN(CCNC(=O)NNc1nc(O)c2cnn(C)c2n1)C1CC1 269269759 FVUZBUBZJYAMQP-UHFFFAOYSA-N 320.357 -0.211 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(C#N)CCCCC1 273543188 XKLKBVXXGLVJAP-SECBINFHSA-N 316.383 -0.454 50 20 DBGD C[C@@H]1CCCN(CCNC(=O)c2cc(B(O)O)ccc2F)C1 584929164 JPBWBAHTDNCOFS-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD O=C(NCCNC(=O)C1CCCC1)c1cc(B(O)O)ccc1F 584935995 BGSFLDWOKCUNNG-UHFFFAOYSA-N 322.145 -0.458 50 20 DBGD CCCNC(=O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584945150 VWFLBYNQWXQEIQ-UHFFFAOYSA-N 318.182 -0.255 50 20 DBGD CC(=O)N1CCC(CCNC(=O)c2ccc(B(O)O)cc2)CC1 584957376 HELYEOMWKTZEHV-UHFFFAOYSA-N 318.182 -0.255 50 20 DBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@](=O)C1 584982465 KYEXXUSXIJKJRA-BTKVJGODSA-N 313.159 -0.654 50 20 DBGD CN(C)C(=O)Cn1cc(NCc2ccccc2B(O)O)cn1 585033230 BBRRSEWKBZDCLB-UHFFFAOYSA-N 302.143 -0.737 50 20 DBGD CCOCC(=O)NNC(=O)NCCN1CCOC(C)(C)C1 731282842 XRRQXDFWVUIKAG-UHFFFAOYSA-N 302.375 -0.536 50 20 DBGD CCCN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 733194332 KCWIMYMRZVTXQJ-LLVKDONJSA-N 317.411 -0.557 50 20 DBGD Cn1cc(C(=O)NNC(=O)CC2CCCC2)c(=O)n(C)c1=O 735115747 NHUPQOSIBAQZEY-UHFFFAOYSA-N 308.338 -0.575 50 20 DBGD CN(C)CC(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 736761442 FUDBTPWWSBWQJU-UHFFFAOYSA-N 303.326 -0.882 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccnc1N1CCCCC1 764420433 AQHMUEVWNURGCK-UHFFFAOYSA-N 321.337 -0.850 50 20 DBGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)C 773497120 UGXYHZUVIKPSAV-UHFFFAOYSA-N 318.333 -0.654 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cn1 783800678 WUSFJARXYQXHCM-SSDOTTSWSA-N 301.299 -0.584 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CCCN2C(=O)CNC2=O)n1 794074257 AIEZHZMHEYGWOP-UHFFFAOYSA-N 319.321 -0.517 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](S(C)(=O)=O)C1 800466824 HVTIBIRXPGBKDM-WDEREUQCSA-N 319.427 -0.313 50 20 DBGD CC(C)C(=O)NNC(=O)CNS(=O)(=O)c1cccnc1 809982368 DJTPZMUQXFKCGC-UHFFFAOYSA-N 300.340 -0.837 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C)S1(=O)=O 810112509 WPFOGCGSFUHEND-AOOOYVTPSA-N 319.427 -0.313 50 20 DBGD O=C(N[C@@H](CO)C(=O)NNC(=O)C1CCC1)c1ccc(F)cc1 845482924 KSUQQWPPJKNLEX-LBPRGKRZSA-N 323.324 -0.136 50 20 DBGD Nc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] 861202346 LSGABOLRVPZUGI-MRVPVSSYSA-N 322.281 -0.392 50 20 DBGD O=C(C[C@H]1CSCCS1)NNC(=O)[C@@H]1CCC(=O)N1 862457833 RTMXEDSFTPHGPM-YUMQZZPRSA-N 303.409 -0.349 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1c[nH]c(C(F)(F)F)c1 863466036 OMAIAEIRESGAAA-UHFFFAOYSA-N 313.257 -0.161 50 20 DBGD CC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863889751 FQZMRYURZJUTSB-AWEZNQCLSA-N 304.155 -0.503 50 20 DBGD COC[C@@](C)(CO)NCC(=O)NNC(=O)c1cccc(C)c1 879162873 NXSXOPHNQRJBOL-OAHLLOKOSA-N 309.366 -0.257 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 910161409 ZISNIDMVYHFRPD-LLVKDONJSA-N 323.397 -0.101 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NCCn3ccnc3)nc21 1116314866 UZDDSDQKMCZXET-UHFFFAOYSA-N 317.313 -0.408 50 20 DBGD O=C(NCCF)NNC(=O)c1csc(N2CCOCC2)n1 1116906114 SBFYMYVTEDEFBH-UHFFFAOYSA-N 317.346 -0.107 50 20 DBGD CN1CCCC[C@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1123665116 VYFOMZRHIHYJDG-AAEUAGOBSA-N 318.443 -0.148 50 20 DBGD O=C(NNc1ncc(F)cn1)c1ccc(-c2nn[nH]n2)cn1 1137593440 RAUFYOSMSDGJOH-UHFFFAOYSA-N 301.245 -0.052 50 20 DBGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)OC)cc1 1254936708 VUHYLGVZMYSENU-UHFFFAOYSA-N 324.293 -0.403 50 20 DBGD O=C(CCc1nc(-c2nc[nH]n2)no1)NN=c1cc[nH]cc1 1319946353 LJYHOXZJKYVNNK-UHFFFAOYSA-N 300.282 -0.253 50 20 DBGD O=C(NNC(=O)C1CCN(C2CC2)CC1)C(=O)N1CCCC1 1320916960 QTXRKDXSNBLARZ-UHFFFAOYSA-N 308.382 -0.369 50 20 DBGD CN(C)C(=O)Cc1ccc(NC(=O)NNC(=O)CCO)cc1 1323926634 BTJUUHDQERKBNM-UHFFFAOYSA-N 308.338 -0.148 50 20 DBGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNC(=O)OC)c1 1327825672 DRGQOYPPEZGEOE-UHFFFAOYSA-N 310.266 -0.270 50 20 DBGD CC(C)(C)n1nnc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1328001001 QGOKFVSIRQGXBG-MRVPVSSYSA-N 314.371 -0.687 50 20 DBGD O=C(NCCCNC(=O)C1CCC1)NNC(=O)c1cn[nH]c1 1334908831 ZIVOZMAOILHOCS-UHFFFAOYSA-N 308.342 -0.340 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)c2cn(C)nn2)nc1C 1343353475 NSOAQLJDRYSYTL-UHFFFAOYSA-N 305.298 -0.153 50 20 DBGD C#CCSCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1573289613 OJMKZIHODBLFRP-UHFFFAOYSA-N 316.346 -0.006 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@]1(C)C[C@H](O)CN1 1579873126 TXRBGZUQFBCGKX-ZUZCIYMTSA-N 317.349 -0.483 50 20 DBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(-c2nn[nH]n2)c1 1588772462 OVWIIRMVPWBOBL-NSHDSACASA-N 313.321 -0.015 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCS(=O)(=O)C1 1593164685 MPIKPOPMYXMRDP-MRVPVSSYSA-N 323.338 -0.861 50 20 DBGD COC[C@@](C)(CC(=O)O)NC(=O)c1cc(B(O)O)ccc1F 1599148099 HCFDYPIVUDFTQA-CYBMUJFWSA-N 313.090 -0.885 50 20 DBGD CC(=NNC(=O)C(=O)O)c1cc(S(N)(=O)=O)c(C)cc1C 1602987016 CZKPJZRAYYAWOM-UHFFFAOYSA-N 313.335 -0.124 50 20 DBGD CC[C@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)C(=O)O 1603560469 ANVCVXXFVNQDKQ-MRVPVSSYSA-N 323.309 -0.539 50 20 DBGD CC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 1609622292 MMXNZSDGXUWXIJ-JTQLQIEISA-N 307.262 -0.968 50 20 DBGD O=C1Nc2ccccc2/C1=N\NC(=O)[C@H]1CCS(=O)(=O)C1 7324206 TVKREZJCRUFWJN-QMMMGPOBSA-N 307.331 -0.106 50 20 DBGD COc1ccsc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273464562 IGDGOFNZBSEHIM-LURJTMIESA-N 321.380 -0.545 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 584911333 UNZHFZAYOVKYMC-SNVBAGLBSA-N 304.155 -0.048 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](N2CCCC2)C1 584939881 MEGYOSOVLIOWQQ-LBPRGKRZSA-N 306.146 -0.184 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](c2nn[nH]n2)C1 584964472 FIBYYOCTYOPCSA-VIFPVBQESA-N 319.105 -0.962 50 20 DBGD O=C(NCCCCN1CCC[C@H]1CO)c1ccc(B(O)O)cc1 584966267 WHAFFIANOSQNDQ-HNNXBMFYSA-N 320.198 -0.667 50 20 DBGD COC1([C@@H](C)NC(=O)c2ccc(B(O)O)cc2)CCOCC1 585000572 LZEBYOSASWPDTM-LLVKDONJSA-N 307.155 -0.320 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCS(=O)(=O)C[C@H]1C1CC1 585000586 YOECEBFUNSZIAH-ZDUSSCGKSA-N 323.179 -0.984 50 20 DBGD CS(=O)(=O)Nc1ccccc1C(=O)NNC(=O)c1cnn[nH]1 729456061 OZJBAZUJVHAHGF-UHFFFAOYSA-N 324.322 -0.749 50 20 DBGD COc1cc(C)nc(NNC(=O)CCCN2C(=O)CNC2=O)n1 746632605 FYSXMSQGHYSSBS-UHFFFAOYSA-N 322.325 -0.431 50 20 DBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccccc2O)c1 749381251 CZZWUKKTTUGLBT-UHFFFAOYSA-N 318.289 -0.341 50 20 DBGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)C1CCC1 764338216 CYLZWFBFJZFAPG-UHFFFAOYSA-N 322.321 -0.004 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)C(C)(CO)CO)c1 767103739 YIXNMNUTAYGLEP-UHFFFAOYSA-N 324.333 -0.710 50 20 DBGD CNC(=O)C1(C(=O)NNC(=S)NCCSC)CCC1 770248642 QUKSAGUMSHSIBY-UHFFFAOYSA-N 304.441 -0.239 50 20 DBGD C[C@H](NC(=O)NNC(=O)CC(F)(F)F)[C@H]1CN(C)CCO1 770437794 MGNOXNMXFZQOFX-JGVFFNPUSA-N 312.292 -0.012 50 20 DBGD CCO[C@@H]1COCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 776485218 OWBOFZXPLNJJRM-GHMZBOCLSA-N 301.387 -0.037 50 20 DBGD COC(=O)CC(C)(C)CC(=O)NNc1ccc(C(N)=O)nn1 780629719 VBTCIGIXRNHBBU-UHFFFAOYSA-N 309.326 -0.002 50 20 DBGD CC(C)(C)[C@H](Br)C(=O)N(CC(N)=O)CC(N)=O 781087493 HMLBVNHASHQRON-MRVPVSSYSA-N 308.176 -0.405 50 20 DBGD CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)C(C)(C)O 787953804 MQHXQIMRIOLJNV-QMMMGPOBSA-N 317.411 -0.148 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798308089 PDMFCIOLQOVOIP-OAHLLOKOSA-N 323.349 -0.213 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3nc(O)[nH]c3c2)CC1 807381900 OACYWPAKUVKBHJ-UHFFFAOYSA-N 318.337 -0.130 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](c2nc(O)n[nH]2)C1 808776722 BHYOIKCBWPCQMM-SECBINFHSA-N 324.385 -0.117 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 826993435 PJRBEEYFZJQXII-NXEZZACHSA-N 310.358 -0.138 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@@H]1CCC(=O)N1 831790189 JHJAAGLVHMLGEA-QMMMGPOBSA-N 314.342 -0.673 50 20 DBGD C[C@H](CNC(=O)NNC(=O)COc1ccccc1O)C(=O)O 848584815 ASTQMXLCYCIWGY-MRVPVSSYSA-N 311.294 -0.178 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(O)n(C)n1 854388796 YPPKDROCQOUFNP-UHFFFAOYSA-N 300.315 -0.324 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ncc(Cl)cn1 857355720 KKTNWJKAABWBQZ-QMMMGPOBSA-N 319.774 -0.003 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(C)n1 858411389 IYXHMKNMEOQLBN-SECBINFHSA-N 309.326 -0.258 50 20 DBGD N#Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858600750 UEMZVONBNWEZPX-LBPRGKRZSA-N 315.333 -0.290 50 20 DBGD CCCN(C)c1ccccc1NC(=O)C(=O)NNC(=O)CO 861806244 ZJVIBZULYYXLQT-UHFFFAOYSA-N 308.338 -0.389 50 20 DBGD CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454937 LGCKVEWPCWOSAN-QWRGUYRKSA-N 324.381 -0.406 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2COCCN2C2CCCC2)N1 862458311 CCLFFIXQFVXRGS-VXGBXAGGSA-N 324.381 -0.944 50 20 DBGD Cn1c(=O)oc2cc(C=NNC(=O)[C@@H]3CCC(=O)N3)ccc21 863151012 CBKQGAVGQHKZLN-VIFPVBQESA-N 302.290 -0.140 50 20 DBGD Cn1ccnc(NNC(=O)[C@]2(C3CCCC3)CCNC2=O)c1=O 863894315 OBPHYNBEQDTLKV-HNNXBMFYSA-N 319.365 -0.080 50 20 DBGD O=C(Cn1cc(CCN2CCCCC2)nn1)NNC(=O)C1CC1 881294683 ZVJJFJLRHCMKMU-UHFFFAOYSA-N 320.397 -0.136 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=O)CC(F)(F)F 918367471 URKFNCPQUSMGNO-UHFFFAOYSA-N 303.262 -0.878 50 20 DBGD CCc1nnc(C)cc1C(=O)NNc1ccc(C(N)=O)nn1 1116598932 FQPDYPYWBQCHAC-UHFFFAOYSA-N 301.310 -0.007 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1Cl 1116729887 PIGKZQBYNHEQQT-UHFFFAOYSA-N 313.697 -0.093 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cs1 1317913989 WCTGOLYUDASGAG-MRVPVSSYSA-N 317.392 -0.424 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCN(C(C)C)C(C)C 1318882483 MWRDQPUCDRZJSY-UHFFFAOYSA-N 302.375 -0.001 50 20 DBGD CNC(=O)c1cccc(C(=O)NNc2nccc(OC)n2)n1 1319146660 KRNKDDWHQMSKFR-UHFFFAOYSA-N 302.294 -0.003 50 20 DBGD CCC[C@H](O)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319399764 LMFZHBLPZSEVTP-IUCAKERBSA-N 307.372 -0.945 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C(=O)c1cnn(C)c1 1320695112 BPOBDQVIJSREJF-UHFFFAOYSA-N 312.326 -0.461 50 20 DBGD CC(=O)N[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(C)C 1322739838 XBETVGKJYNRAEY-VIFPVBQESA-N 321.341 -0.327 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CSCC(N)=O 1326858361 VFWILJAJHDVORO-UHFFFAOYSA-N 307.372 -0.859 50 20 DBGD Cc1nn(CC(=O)NNc2nncc(N)c2Cl)c(=O)n1C 1329056628 XNGNFOYDKYKTJK-UHFFFAOYSA-N 312.721 -0.941 50 20 DBGD Cc1c([C@@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cnn1C 1331504104 NMXWJOOLFJLXDK-GMSGAONNSA-N 308.342 -0.601 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCSCC1 1332076800 BHOJVAVXQXAAOC-GHMZBOCLSA-N 316.427 -0.209 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1C[C@@]12CCNC2 1574300159 DTNXKNDWNUXBIG-YMTOWFKASA-N 306.322 -0.844 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)[C@H](C)OCCOC)C(=O)O 1589538184 DMKPDQMEMZJOJN-IUCAKERBSA-N 305.331 -0.521 50 20 DBGD O=C(O)C1(C(=O)NNc2cccnn2)CCS(=O)(=O)CC1 1594866996 FXJQTYFUHNSVLL-UHFFFAOYSA-N 314.323 -0.801 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1596859953 HRGWAGGQSAKCHS-KUGGDMIFSA-N 323.349 -0.182 50 20 DBGD O=C(Cn1ncnn1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 1606625183 FWVUZEIMEGGAOO-UHFFFAOYSA-N 321.692 -0.955 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C2(C(=O)O)CC3(CCC3)C2)N1 1609035201 BMDOQPQXXVZEJD-QMMMGPOBSA-N 309.322 -0.553 50 20 DBGD CCNC(=O)c1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1610008461 JIHPEWKHCSFYLU-UHFFFAOYSA-N 308.294 -0.649 50 20 DBGD O=C(NCc1cccc2c1OCCCO2)NNC(=O)C(=O)O 1610698123 JZHOLJMUVCCSIE-UHFFFAOYSA-N 309.278 -0.237 50 20 DBGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)OC)cc1 43849406 IWNBVCYWKWMJCL-UHFFFAOYSA-N 324.293 -0.018 50 20 DBGD CN(C)c1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1 46072316 POKQAGLWZZFPQQ-UHFFFAOYSA-N 319.365 -0.138 50 20 DBGD CC(C)NC(=O)NNC(=O)CNS(=O)(=O)c1cccs1 49468389 SJCADBBSLLRNKR-UHFFFAOYSA-N 320.396 -0.235 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 293527903 YLAZJRNVGVNCFK-JTQLQIEISA-N 322.277 -0.140 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-n2ccnc2)nc1 299357039 HWPWJOPDNQBQNQ-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)C(C)(C)O)C1 492696342 NIEJODDNNZPOSF-VIFPVBQESA-N 301.343 -0.227 50 20 DBGD C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584973762 GCUKZLSDOKINJA-WDEREUQCSA-N 324.161 -0.967 50 20 DBGD CN1CCC[C@H](CCNC(=O)c2cc(B(O)O)ccc2F)C1 584998965 UECYIELJHBQVHW-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD C[C@H]1CN(CCNC(=O)c2ccc(B(O)O)cc2)[C@@H](C)CO1 585005663 DCOIHNSXHKHSLE-RYUDHWBXSA-N 306.171 -0.795 50 20 DBGD O=C(NCB(O)O)c1cc(Br)c2c(c1)OCCO2 585061874 KNSDXCWUQBIBGG-UHFFFAOYSA-N 315.916 -0.038 50 20 DBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[C@@H](B(O)O)C1 585075591 SOBDWCZOFTVUBW-GMTAPVOTSA-N 308.143 -0.763 50 20 DBGD COC(=O)[C@@H]1C[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728161448 JHKHZLRJUZHZPV-LPEHRKFASA-N 304.368 -0.712 50 20 DBGD COc1ccnc(NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)n1 733254159 VQTQSRVOVWPPKJ-VIFPVBQESA-N 317.371 -0.498 50 20 DBGD C[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1C)S(C)(=O)=O 733260909 DWIJDAVHDMVAPA-QMMMGPOBSA-N 324.362 -0.190 50 20 DBGD O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)C(=O)NC1CC1 739256298 REPLPWDWALUTIL-UHFFFAOYSA-N 319.317 -0.257 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 745927584 AHNMMZDLVQEPRP-SNVBAGLBSA-N 300.359 -0.390 50 20 DBGD CN(C)C(=O)NNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 746001987 ZRRKRRYANQNATB-UHFFFAOYSA-N 324.362 -0.225 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(C)o1 752374624 UAWMRIACCCTDOF-UHFFFAOYSA-N 318.355 -0.529 50 20 DBGD CC(C)(C)OC(=O)N[C@@H](CC(=O)NNC(=O)CO)C1CC1 753444966 CUVIEZKPXXURME-VIFPVBQESA-N 301.343 -0.181 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1c(C)cc(O)cc1=O 759786789 ZZGHABMXLBKCDK-UHFFFAOYSA-N 305.294 -0.645 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)C(C)(C)C)n1 770041156 KYWLAAGHEPSUSA-UHFFFAOYSA-N 311.346 -0.435 50 20 DBGD COc1ccnc(NNC(=O)NCc2nnnn2CC2CC2)n1 771376202 WKYSINNUEVTPFX-UHFFFAOYSA-N 319.329 -0.292 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1=O 771915786 ZQOXYKALKXHJHY-LBPRGKRZSA-N 304.350 -0.008 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(OC)c(-n2cnnn2)c1 781682542 RTPODXHOLVJHRN-UHFFFAOYSA-N 305.298 -0.365 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3C[C@]3(CO)C2)c1 782636137 WYQLRUYUUDGDSG-CZUORRHYSA-N 314.345 -0.367 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)cc1 798338134 ACBIMTOQXVKRSH-UHFFFAOYSA-N 300.340 -0.360 50 20 DBGD COc1ccc(NC(=O)NNC(=O)c2nnc(O)nc2O)cc1 802055194 OFKIYNRBLSEFPT-UHFFFAOYSA-N 320.265 -0.242 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)Cc1nncn1C 805823791 OANOVXGCIPBVSH-UHFFFAOYSA-N 302.338 -0.292 50 20 DBGD C[C@@H]1SCC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 828541882 KKDPBCYVLYNBFI-IUCAKERBSA-N 300.384 -0.167 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 831748465 CVOSPWXDOXPXDQ-RKDXNWHRSA-N 318.337 -0.081 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1C[C@H]1C(=O)O 833120427 ZNIGESLJWVQTGA-VHSXEESVSA-N 302.290 -0.255 50 20 DBGD O=C(O)CCCN1CCC(=NNC(=O)[C@@H]2COCCO2)CC1 833226941 VLRDUUAYQPUOQK-LBPRGKRZSA-N 313.354 -0.165 50 20 DBGD NCCCC(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21 841295266 YVLHFFFQTMZGRQ-UHFFFAOYSA-N 322.340 -0.009 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2ncccn2)C1 845417533 GDBNKFWLTNCGET-MRVPVSSYSA-N 300.344 -0.863 50 20 DBGD Cn1nnc2c1CC[C@H](NC(=O)NNc1ncncc1F)C2 848670173 NUCAGAAFARDAPI-ZETCQYMHSA-N 306.305 -0.072 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 849308380 MSSBBYNKYAVLQT-KOLCDFICSA-N 321.399 -0.612 50 20 DBGD COCCCOCCC(=O)NNC(=O)N1CCN(C)CC1 854381925 VDQQFDNDTCQFEE-UHFFFAOYSA-N 302.375 -0.582 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC(=O)N(C)C2=O)n1 861460532 DVTHOFSPEAOZNQ-UHFFFAOYSA-N 305.294 -0.955 50 20 DBGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)CS(C)(=O)=O 863186510 ADXFBGRBVSVYMC-UHFFFAOYSA-N 324.362 -0.430 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2cccc(F)c2)N1 863413843 MFQVXTBKGQWAHC-VIFPVBQESA-N 301.299 -0.586 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSCC(F)(F)F 863464919 YDWDAFSIQPYILK-UHFFFAOYSA-N 308.303 -0.526 50 20 DBGD CC1(C)C[C@@](C)(NC(=O)c2cc(B(O)O)ccc2F)C(=O)O1 863884089 YATUIQXUGJGWLR-CQSZACIVSA-N 309.102 -0.281 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1ccc(O)c(F)c1 869905409 LZSVSUASMNBRDO-UHFFFAOYSA-N 300.286 -0.116 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2c(N)nc(C#N)c2C#N)cc1 914684853 LNCRHOZZSLNXFK-UHFFFAOYSA-N 323.316 -0.022 50 20 DBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)CN1CCCC1=O 920435416 HMHSDSVSVFMJAZ-SECBINFHSA-N 312.370 -0.693 50 20 DBGD CNC(=O)c1cccc(CNC(=O)NNC(=O)C(=O)OC)c1 1116186942 IBCRKHUKAIGSFS-UHFFFAOYSA-N 308.294 -0.950 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cccc(CO)c2)N1 1118805824 IUCWDUAFTRGTNU-LLVKDONJSA-N 306.322 -0.712 50 20 DBGD Cc1cccc(C(=O)NNC(=S)NCCS(C)(=O)=O)n1 1256382193 NSPZTHXHJZMKRU-UHFFFAOYSA-N 316.408 -0.456 50 20 DBGD CC(C)c1cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)on1 1261789856 SPGRCOFOPXXTSJ-SECBINFHSA-N 309.326 -0.093 50 20 DBGD C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)n1cccn1 1319383157 QWUBPBGSVJGOEP-SSDOTTSWSA-N 302.298 -0.030 50 20 DBGD C[C@H](C(=O)NNC(=O)CO)c1ccc(S(C)(=O)=O)cc1 1320086358 LXORUMJJUZVMNS-QMMMGPOBSA-N 300.336 -0.667 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cnn(C(C)C)c1 1323135128 FXWZQDFEEMGVLK-UHFFFAOYSA-N 317.371 -0.702 50 20 DBGD CN(C)c1noc(CNC(=O)NNC(=O)Cc2cccnc2)n1 1324014222 JMDWKAMCGGONQO-UHFFFAOYSA-N 319.325 -0.396 50 20 DBGD O=C(Cc1c[nH]c2cnccc12)NNC(=O)C(=O)N1CCCC1 1324473781 NHZGLMJQNBKDGE-UHFFFAOYSA-N 315.333 -0.125 50 20 DBGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)C1CCCC1 1325516028 NERAPRQCEOJGCU-UHFFFAOYSA-N 320.353 -0.181 50 20 DBGD COC(=O)c1ncoc1CCC(=O)NNC(=O)c1cn[nH]c1 1329078786 QNXBFJJXHDIUBJ-UHFFFAOYSA-N 307.266 -0.422 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1ccsc1 1346443392 BBQSVWJHQMCQRL-JQWIXIFHSA-N 308.407 -0.174 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCc1cnnn1C 1346700199 JRFUNPGUASDWQK-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD Cn1nc(C2CCOCC2)cc1NC(=O)NNC(=O)CCO 1351534580 XQJNXIYKGQZVLV-UHFFFAOYSA-N 311.342 -0.151 50 20 DBGD Cc1cc(Br)cnc1NNC(=O)CNC(=O)CN 1579552982 UCSKJJUHQPQVFQ-UHFFFAOYSA-N 316.159 -0.329 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)C1[C@H]2CNC[C@H]12 1579798106 WUTOJYRPCUZJTB-KBPBESRZSA-N 316.405 -0.165 50 20 DBGD O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](B(O)O)C1 1593455439 CIYWLVJXJFTQBY-SECBINFHSA-N 323.143 -0.896 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccccc2C(=O)O)N1 1595281889 DUAQFAXEJDIITP-VIFPVBQESA-N 306.278 -0.184 50 20 DBGD Cn1nc(CCNC(=O)NNC(=O)C(=O)O)c2ccccc21 1601010450 NMKCPDOEANDQQF-UHFFFAOYSA-N 305.294 -0.469 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1cccnn1 1606853744 CFQMEHKFCOPVJI-UHFFFAOYSA-N 300.238 -0.676 50 20 DBGD COc1cccc(O[C@H](C)CNC(=O)NNC(=O)C(=O)O)c1 1607326662 QPXCXGPTEDTNDU-MRVPVSSYSA-N 311.294 -0.123 50 20 DBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](C)O)C2 1846364864 NNWRVQCMMZGXNP-VHSXEESVSA-N 304.774 -0.176 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2 42464485 FIAXYTFTHIZONH-UHFFFAOYSA-N 309.278 -0.078 50 20 DBGD CCn1c(NNC(=O)CNC(=O)NC)nc2ccccc2c1=O 270424110 DQZHBGDJWTUYMP-UHFFFAOYSA-N 318.337 -0.212 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)CSc2ccccc2O)CC1 271078511 QCBMBGCTWKOQGN-UHFFFAOYSA-N 324.362 -0.167 50 20 DBGD CC(C)C[C@@](C)(NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584944623 DDNGLTFGEJTUNQ-CQSZACIVSA-N 310.134 -0.475 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](C(F)(F)F)[C@@H]1CO 584989503 FHWMQDDPGRUKLT-MNOVXSKESA-N 317.072 -0.248 50 20 DBGD CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(B(O)O)o1 585049709 UNEMHZWSHMGCRD-CYBMUJFWSA-N 300.123 -0.124 50 20 DBGD O=S(=O)(Cc1nc(-c2cccc(B(O)O)c2)no1)C1CC1 585052470 NIKJCARSGYDWBF-UHFFFAOYSA-N 308.124 -0.506 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)S(C)(=O)=O 728825215 NQSUTHAYFWQWRR-UHFFFAOYSA-N 310.335 -0.789 50 20 DBGD COC(=O)C[C@@H]1CSCCN1CC(=O)NNC(=O)C1CC1 746463137 KLNCAKOUSVZTAV-SNVBAGLBSA-N 315.395 -0.476 50 20 DBGD COc1cc(C)nc(NNC(=O)C[C@@H]2SC(=N)NC2=O)n1 746632350 CQMUUGYHHHLXQT-LURJTMIESA-N 310.339 -0.207 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1c(F)cccc1F)C(N)=O 748175843 RPBWNBMUYAMTKA-VIFPVBQESA-N 300.265 -0.212 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)CCc2ccccc2)C1=O 749851438 GHXZOAPGLJEYHR-UHFFFAOYSA-N 318.333 -0.339 50 20 DBGD CC(C)n1nccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758058778 YEPNPEXDCMCKOV-QMMMGPOBSA-N 317.371 -0.837 50 20 DBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 762456547 UFOXKEUXIOJECA-MRVPVSSYSA-N 320.367 -0.842 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(F)c1 784000136 OFTBFBVITXFYDM-UHFFFAOYSA-N 322.296 -0.466 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)n1 786694623 WSBKLROWOGRHMY-VXGBXAGGSA-N 321.381 -0.061 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc([N+](=O)[O-])c(O)c1 789857757 KFDYZBMZERZTMG-UHFFFAOYSA-N 322.277 -0.316 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](N2CCOCC2)C[C@H]1C 796381448 ZAQFGLYSYNYGBS-AGIUHOORSA-N 312.414 -0.273 50 20 DBGD CC[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N(C)C 820842271 LJCXHUVUZRQJSM-NSHDSACASA-N 317.353 -0.032 50 20 DBGD CC(C)[C@H](C(=O)NN(C)[C@@H](C)CO)N1CCCS1(=O)=O 823946690 MURYLGAXWHJWFS-WDEREUQCSA-N 307.416 -0.610 50 20 DBGD O=S(=O)(CCl)NCCS(=O)(=O)NCC1CCC1 830440953 YYUBAXRYAZTIRZ-UHFFFAOYSA-N 304.821 -0.178 50 20 DBGD C[C@H]1C(=O)NCCCN1CC(=O)NNC(=O)c1ccc(F)cc1 839579049 DCSBFKMYKQWPLY-JTQLQIEISA-N 322.340 -0.203 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNc2cccc(F)n2)C1 846722330 RZIXMLYJXWMQLS-QMMMGPOBSA-N 317.346 -0.119 50 20 DBGD Cc1cc(S(N)(=O)=O)oc1C(=O)NNC(=O)CC1CC1 854666102 MXJTWUYKGGUFCH-UHFFFAOYSA-N 301.324 -0.203 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](CO)[C@H](CO)C1 859447352 OHFCEOAGUBELNR-SRVKXCTJSA-N 301.387 -0.899 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1noc2c1CCCCC2 863465054 RABUNUWCECAURL-UHFFFAOYSA-N 315.351 -0.251 50 20 DBGD NC(=O)c1ccc(COc2ccc(B(O)O)cc2)c([N+](=O)[O-])c1 864048275 MOGLRXKICOSZPP-UHFFFAOYSA-N 316.078 -0.048 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)c1c(C)nn(C)c1C 869909204 MVERBDONTLUVRN-VIFPVBQESA-N 312.370 -0.049 50 20 DBGD COCCOCC(=O)NNC(=O)[C@](C)(O)Cc1ccccc1 869910855 ZRKYURAJDKJNDJ-OAHLLOKOSA-N 310.350 -0.210 50 20 DBGD O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)NNC(=O)NC2CC2)CN1 874194223 TZPQMDHHXACAEG-NKWVEPMBSA-N 308.260 -0.206 50 20 DBGD CN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C1CCC1 908278619 IAMXBSMXQXEOLD-GFCCVEGCSA-N 303.428 -0.037 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 920862225 SNUIQZIIKOMXFG-LBPRGKRZSA-N 316.383 -0.581 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c(F)c1 1116720300 LTLUOLUIPADUSH-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccco1 1318688615 LABMUCJTPHZNQX-IUCAKERBSA-N 315.351 -0.099 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCC(=O)N1CCCCCC1 1319003499 PAYPJOFNDYZPTG-UHFFFAOYSA-N 314.342 -0.718 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNc1ncccn1 1319244144 NPOMABOJYSVFPN-UHFFFAOYSA-N 303.344 -0.836 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 1320257198 AQKFBHFGCINDLS-UHFFFAOYSA-N 322.277 -0.153 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)NCC1CC1 1321632332 LEPITBSKWDVUMF-UHFFFAOYSA-N 315.355 -0.974 50 20 DBGD COCCONC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1328967415 IUSKRGXZHPRPHT-OIBJUYFYSA-N 309.160 -0.030 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549316137 FHEWIIPYWJAZGA-NWDGAFQWSA-N 317.411 -0.224 50 20 DBGD C[C@H]1[C@@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCN1C 1590170932 NGLHOKJSZNPUHQ-WPRPVWTQSA-N 317.357 -0.020 50 20 DBGD COc1ccc(NNC(=O)Cn2cnc(-c3nn[nH]n3)n2)nc1 1591617233 CRKWWIUOAFORRA-UHFFFAOYSA-N 316.285 -0.995 50 20 DBGD O=C(O)CCCCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1606142159 YXLUNXGBXHDDGZ-SECBINFHSA-N 309.326 -0.367 50 20 DBGD O=C(CC1COC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606507678 UOHMMBUVBTWNGX-UHFFFAOYSA-N 302.294 -0.336 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12 16785643 XYKKKEWCMAURAY-QMMMGPOBSA-N 322.346 -0.241 50 20 DBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)NCC1CC1 65192873 NRTXBFMYVMLAKP-UHFFFAOYSA-N 316.321 -0.468 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(=O)N(C)C 72701282 RSSZAFXFCBCSCH-UHFFFAOYSA-N 310.329 -0.393 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(F)c1F 126436580 QMBSZARGXLPKAJ-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD COc1ccccc1SCC(=O)NNC(=O)Cn1cnnn1 270547577 GAKIIPQKHYVFPH-UHFFFAOYSA-N 322.350 -0.379 50 20 DBGD CCNC(=O)N(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 271245400 CASJBEUHHQAWMJ-UHFFFAOYSA-N 303.326 -0.103 50 20 DBGD COC(=O)NNC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 274321438 XLQHGBIFOZGSMR-UHFFFAOYSA-N 307.310 -0.192 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)n1 288551780 WJIQLSJNSUBYGS-NXEZZACHSA-N 322.369 -0.201 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CCCC(=O)N1 377836255 ZYYSGECVTRCQQW-SNVBAGLBSA-N 315.370 -0.018 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCCN(C2CC2)CC1 584936839 OYDHLWOZKVUPKS-UHFFFAOYSA-N 306.146 -0.184 50 20 DBGD CC(C)N1CC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584939542 NPZNPPQDADUDEI-NSHDSACASA-N 308.162 -0.034 50 20 DBGD C[C@H](CN1CCOCC1)N(C)C(=O)c1cc(B(O)O)ccc1F 584983569 PAYKSWFPQACGKZ-LLVKDONJSA-N 324.161 -0.702 50 20 DBGD CS(=O)(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 584986085 UDWROHAHPBIGRX-UHFFFAOYSA-N 311.168 -0.937 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](C(F)(F)F)[C@@H]1CO 584989955 LUTQJBUCHJCSOX-QWRGUYRKSA-N 317.072 -0.248 50 20 DBGD OB(O)c1ccc(CNC[C@@H](O)COCc2ccccc2)o1 585021282 IINRKXCAJSQPKM-CYBMUJFWSA-N 305.139 -0.373 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCS(=O)(=O)CC1 732198919 AXYGUJVQBITUMC-JTQLQIEISA-N 305.400 -0.701 50 20 DBGD C[C@@H]([C@@H](C)N(C)CC(=O)NNC(=O)C1CC1)S(C)(=O)=O 733311410 UFEJJGJIUNJSSD-BDAKNGLRSA-N 305.400 -0.703 50 20 DBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)C(C)(C)C 746974060 YGSAGOYSCIFCKC-UHFFFAOYSA-N 308.404 -0.309 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)C(=O)N1CCCC1 748343564 NUHGQYLMWTXCGX-UHFFFAOYSA-N 322.321 -0.912 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)COc1ccc(C#N)cc1 757760880 JSRKYKPIMPVENQ-UHFFFAOYSA-N 315.293 -0.660 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 764210411 DUDXQVZGHFGIIO-UHFFFAOYSA-N 322.369 -0.578 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1cc(C#N)cc(Cl)n1 768714195 XQLMLSDAGNTOQZ-UHFFFAOYSA-N 317.758 -0.011 50 20 DBGD COc1cc(C(C)=NNC(=O)CO)ccc1S(C)(=O)=O 776779464 DONALHGGYRGGCX-UHFFFAOYSA-N 300.336 -0.069 50 20 DBGD O=C(CO)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 776779592 OYSXIYHWVQKRAY-UHFFFAOYSA-N 304.306 -0.712 50 20 DBGD O=C(CO)NNC(=O)COc1cccc(N2CCCC2=O)c1 777782218 YDHJZNKKYYXQLQ-UHFFFAOYSA-N 307.306 -0.668 50 20 DBGD COCCCN(CCO)CC(=O)NNC(=O)c1cccs1 782579408 RBXDFCLMPLYPJL-UHFFFAOYSA-N 315.395 -0.160 50 20 DBGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1cc[nH]n1 786913836 ZGJRXEOKWWUTTP-UHFFFAOYSA-N 304.266 -0.096 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)Cn1cccnc1=O 792798391 NGMXOWHJJJNBEC-UHFFFAOYSA-N 316.317 -0.358 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(N)nc1 814814367 IKAKTKVZKXSCAT-JTQLQIEISA-N 311.367 -0.126 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCC(=O)N(C)C 825761003 GYQOLPJVXMPSKE-NXEZZACHSA-N 300.359 -0.390 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)o1 827288165 KMAQEYAZWBOGEW-RKDXNWHRSA-N 310.310 -0.012 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCNC(=O)[C@H]1c1ccccc1 828322171 RHMJNDFZKMJSGQ-CQSZACIVSA-N 318.377 -0.037 50 20 DBGD C[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 839533676 XJUCDUOQOFDPCV-BXKDBHETSA-N 322.321 -0.189 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 843971228 PZPMIBSSKOBYIT-HTRCEHHLSA-N 310.266 -0.119 50 20 DBGD CC(C)C[C@H]1COCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696641 MLWHRJCISGHCDD-QWRGUYRKSA-N 312.370 -0.247 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNC(=O)CC3CC3)CC2=O)cn1 861842324 GVVXWYKQNSXVPU-JTQLQIEISA-N 305.338 -0.280 50 20 DBGD CCc1nnc(S)n1CCNC(=O)c1cccc(B(O)O)c1 863873712 JZLCMQUUVYXKHX-UHFFFAOYSA-N 320.183 -0.761 50 20 DBGD COc1cccc(C(=O)NNC(=O)c2c[nH]c(C(N)=O)c2)c1O 919756505 BIPIMAYGJNUAHD-UHFFFAOYSA-N 318.289 -0.097 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)Cc1cccnc1 1116064319 RFRKDOIAAUDGKR-VIFPVBQESA-N 314.367 -0.612 50 20 DBGD Cc1nnc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1 1117702609 GAWMUMIQWJUBJP-LLVKDONJSA-N 318.289 -0.092 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1118208165 BSOCQFOEILCFMV-VHSXEESVSA-N 323.353 -0.499 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)NCC(F)(F)F 1123773285 GNTUVQRADVZLQA-YUMQZZPRSA-N 309.292 -0.733 50 20 DBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 1255449339 YTFKSRJITDCLII-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNc1ccc(-n2ccnc2)nn1 1258219433 CGDCHHHXIXKWTO-SNVBAGLBSA-N 304.310 -0.089 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1319878273 JSIAVJOUVMSPKJ-ZCFIWIBFSA-N 307.314 -0.573 50 20 DBGD CC(C)NC(=S)NNC(=O)c1cn(CC2(C)COC2)nn1 1320155430 YMCREBXXCDMUBT-UHFFFAOYSA-N 312.399 -0.168 50 20 DBGD N#Cc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CCO)c1 1320237402 NVLMOLVPSKZBRN-UHFFFAOYSA-N 310.697 -0.320 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc3nnc(O)n3c2)cn1 1320330862 UKGIPWALXDQFBZ-UHFFFAOYSA-N 301.266 -0.757 50 20 DBGD CSCCNC(=S)NNC(=O)Cn1cc([C@H](C)O)nn1 1324764678 RICQBXKWMZWREU-ZETCQYMHSA-N 318.428 -0.810 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)c2c[nH]nc2C)sn1 1326638887 HMCCOPOFXSKVCS-UHFFFAOYSA-N 308.323 -0.117 50 20 DBGD C[C@@H]1[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CCN1C 1332481289 KFKHRDIPJOHGDE-HTQZYQBOSA-N 305.342 -0.148 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)COCC(F)(F)F 1339818316 MSVRCFNGZZXHQJ-RXMQYKEDSA-N 301.221 -0.543 50 20 DBGD COC(=O)c1ccnc(C(=O)NNC(=O)C2CCNCC2)c1 1578880526 ROYSLVVLJVVCHB-UHFFFAOYSA-N 306.322 -0.371 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C 1604950724 HIVYPGRIMGCPJO-UHFFFAOYSA-N 319.281 -0.499 50 20 DBGD CN(NC(=O)CN1CCC[C@@H](C(=O)O)C1=O)c1ccccn1 1606179074 BUOLKUIAVIXNNO-SNVBAGLBSA-N 306.322 -0.128 50 20 DBGD O=C(O)[C@@]1(CNS(=O)(=O)CBr)CCOC1 1608571264 UKLDLUDFRRIDNM-SSDOTTSWSA-N 302.146 -0.251 50 20 DBGD O=C(O)/C=C/c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)o1 1608658621 ZOLZMFHKXLFXPB-XCRNYIDWSA-N 310.262 -0.446 50 20 DBGD O=C([C@@H]1CCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847564086 QUNXCRUGVFAQGJ-BJDJZHNGSA-N 316.785 -0.033 50 20 DBGD O=C([C@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCOC1 1847568573 YVBLOFDRXUJFCH-NOOOWODRSA-N 316.785 -0.176 50 20 DBGD CS(=O)(=O)N1CCN(S(=O)(=O)CCCCCl)CC1 88950317 MHIUHZPWKPKRCX-UHFFFAOYSA-N 318.848 -0.088 50 20 DBGD Cc1ccc(F)cc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 263950353 DUAXTXHXIJVJJA-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 266347088 XEXRMVKLIGZVGR-STQMWFEESA-N 321.333 -0.696 50 20 DBGD COC(=O)N(C)NC(=O)CCn1nnc2ccccc2c1=O 286530575 YBWGATZUJMFCHN-UHFFFAOYSA-N 305.294 -0.089 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)c1 292125241 RTRLVCHGSIZODV-JTQLQIEISA-N 301.324 -0.421 50 20 DBGD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CBr)C1 374697688 HFCATHHPGCBXQI-LURJTMIESA-N 321.218 -0.708 50 20 DBGD CCC(=O)N1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584960075 ODRJYXVSTUYBEI-SNVBAGLBSA-N 308.118 -0.754 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@]2(CCCNC2=O)C1 584975443 DLBAKDWSHJUZEM-INIZCTEOSA-N 316.166 -0.501 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@H]1[C@H]1CCCO1 584988567 PZNXEIGSDVYOHY-UONOGXRCSA-N 323.129 -0.475 50 20 DBGD CN(C)C(=O)COc1ccccc1C(=O)N1CC[C@@H](B(O)O)C1 585071794 ATXAHRCXAJEHMH-LLVKDONJSA-N 320.154 -0.158 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)CC1=O 735446052 RSXIKEVJVNQACE-SNVBAGLBSA-N 307.354 -0.314 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 748529997 MTVHYMFZGITXLH-AWEZNQCLSA-N 319.321 -0.343 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)c1nc(O)nc(O)c1N 752229955 KYOZONXCULJPSL-UHFFFAOYSA-N 304.266 -0.752 50 20 DBGD NC(=O)c1ccc(NNC(=O)CCOC[C@@H]2CCCO2)nn1 757392342 LVPLWVHRXXUKSI-VIFPVBQESA-N 309.326 -0.396 50 20 DBGD CCCNC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770894133 OFUKSRQJXVBDQE-QMMMGPOBSA-N 308.404 -0.309 50 20 DBGD Cn1ncc(C(=O)NNC(=O)COc2ccc(C#N)cc2)n1 785684458 LZADFLVAEJEPRZ-UHFFFAOYSA-N 300.278 -0.473 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1occ2c1CCC2 794823930 NBWOMTIXDCJMIC-SECBINFHSA-N 312.347 -0.036 50 20 DBGD COc1cc(OC)cc(C(=O)NN=C2C(=O)NC(=O)NC2=O)c1 814215760 UIKOQEJWTPQYQM-UHFFFAOYSA-N 320.261 -0.844 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NCCCSC#N 816538817 IHVBSDZQJGFBEH-UHFFFAOYSA-N 309.413 -0.337 50 20 DBGD CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)C(=O)NC(C)C 817349079 XVWXGXOMWLRXCQ-SNVBAGLBSA-N 323.415 -0.477 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C 843970132 BLHVWZSUHNKCOP-XHNCKOQMSA-N 300.359 -0.358 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)c1cccc(F)n1 856428487 WTPLZWXKWMKCKZ-QMMMGPOBSA-N 301.299 -0.441 50 20 DBGD CSC[C@@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695962 IQTUOIUATHMTOB-IUCAKERBSA-N 300.384 -0.167 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cnn(C(F)F)c2)N1 860863689 YZQQPLUVOHPDLW-ZCFIWIBFSA-N 302.241 -0.291 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2nc3ccccn3n2)C1=O 861295146 KRSXUMQQGOUYDS-UHFFFAOYSA-N 303.282 -0.934 50 20 DBGD C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462841 TZNOWBXUVLJLBL-BXKDBHETSA-N 319.317 -0.308 50 20 DBGD COc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)cc1F 863458923 IGGAMGKWMWYUJP-UHFFFAOYSA-N 318.326 -0.431 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1COc2ccccc2C1 863459259 MYAAZOYMYJXDAE-SNVBAGLBSA-N 312.347 -0.570 50 20 DBGD Cn1nccc1[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 887585134 WXNQXKFTSGCSRQ-AWEZNQCLSA-N 315.138 -0.686 50 20 DBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 898079835 QKJLOICWZRUNAX-GWOFURMSSA-N 301.343 -0.454 50 20 DBGD CN1C[C@@H](O)C[C@]1(C)C(=O)NNC(=O)Cc1ccccc1F 900639455 XOOSAZQDNVUDMX-XHDPSFHLSA-N 309.341 -0.029 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)Cc1cccnc1 1116152712 VTLFRRHKKCEORO-UHFFFAOYSA-N 314.367 -0.901 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(C(N)=S)cc1 1116896859 VISAAIXDIZCDQC-UHFFFAOYSA-N 308.363 -0.394 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc[nH]2)CCOCC1 1261231829 MYFOAWCCTBJIAV-UHFFFAOYSA-N 315.351 -0.631 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 1317993480 IRFKQXKOBUVYRO-SECBINFHSA-N 312.351 -0.479 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2cccnn2)n1 1321020113 RCMUAHUFJGAPNF-UHFFFAOYSA-N 303.326 -0.179 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](c1ccccc1)N(C)C 1322252947 FWRIWUPWWNQMIR-NSHDSACASA-N 308.338 -0.207 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C 1322516025 KZTAJFIEICVQDX-NSHDSACASA-N 321.337 -0.672 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1cncnc1 1324939335 FSUIFFCIMMSRRI-UHFFFAOYSA-N 307.354 -0.139 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1326443019 VYOLCLPQJJQIPB-NSHDSACASA-N 311.363 -0.404 50 20 DBGD O=C1CC[C@@H](C(=O)NN=Cc2cnc(N3CCOCC3)s2)N1 1330142350 IPKMLYJVXUROLF-JTQLQIEISA-N 323.378 -0.292 50 20 DBGD NC(=O)c1cn(C2CCN(S(=O)(=O)CCl)CC2)nn1 1331372245 YHZMPUYRPSHGGK-UHFFFAOYSA-N 307.763 -0.460 50 20 DBGD O=C(O)[C@H](CC1CCOCC1)NCc1ccccc1B(O)O 1331933138 XXCZQWWOAWOQBT-AWEZNQCLSA-N 307.155 -0.274 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccccc1F 1350794792 SMMQRGUTZDPDOO-ZWNOBZJWSA-N 306.341 -0.025 50 20 DBGD Cn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)nc1O 1592565773 BNWNQMNESBORNU-UHFFFAOYSA-N 301.270 -0.542 50 20 DBGD N#CCSCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609496093 LHRDKSIVLNBGGR-UHFFFAOYSA-N 317.334 -0.116 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)C(=O)O)cnn1CC(C)C 1610420271 UVAMPYJXGDJUGL-UHFFFAOYSA-N 311.298 -0.982 50 20 DBGD Cc1ccc(-n2cc(C(=O)NNC(=O)CN(C)C)nn2)cc1 113426720 UOARGYWAFQVRJH-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD COCCNC(=O)NNC(=O)CNC(=O)c1cccs1 263772481 XULWPVJOCABVQO-UHFFFAOYSA-N 300.340 -0.545 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O 269692233 HIUSPGZLKNDSEU-SSDOTTSWSA-N 316.310 -0.273 50 20 DBGD CCOC(=O)NCCCC(=O)NNC(=O)NCCCOC 269730531 VGUYPXHFGHOXEF-UHFFFAOYSA-N 304.347 -0.120 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)Cc1ccccc1F 270411567 ICDHERGALRVPKS-UHFFFAOYSA-N 311.313 -0.380 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1cccc(OC)n1 272520547 LEPIFBAMSFDKBC-UHFFFAOYSA-N 303.340 -0.406 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 288864015 GHFCBAGBBSINEV-UHFFFAOYSA-N 313.335 -0.136 50 20 DBGD CNC(=O)[C@H](C)NC(=O)NNC(=O)COCc1ccccc1 292795057 VENFCYXBKVVCOV-JTQLQIEISA-N 308.338 -0.332 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNc1cncc(Cl)n1 298684164 ZGZLGGMZZMECEJ-UHFFFAOYSA-N 308.751 -0.695 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C[C@@H]2CCOC2)CC1 584960457 LKBYTXIWUALVBO-ZDUSSCGKSA-N 318.182 -0.839 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584965632 UBYYKUBCCJPHIL-MFKMUULPSA-N 322.145 -0.460 50 20 DBGD CC(C)(CS(C)(=O)=O)NC(=O)c1ccc(B(O)O)c(F)c1 584975360 MXBAPYRQNGPHEO-UHFFFAOYSA-N 317.147 -0.942 50 20 DBGD CC(C)C(=O)Nc1ccc(S(=O)(=O)NCB(O)O)cc1 585056857 CSEORGHXPAGHHY-UHFFFAOYSA-N 300.145 -0.429 50 20 DBGD COCCCNC(=O)NNC(=O)CCNC(=O)CC(C)C 741676765 PPCCMLRVEOQEQM-UHFFFAOYSA-N 302.375 -0.094 50 20 DBGD O=C(CO)NNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 753444781 QHBPDEHKICRUJF-UHFFFAOYSA-N 305.250 -0.466 50 20 DBGD C#CCOCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 755499353 PLWCXZKGXYATCT-UHFFFAOYSA-N 324.358 -0.109 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@]1(OC)CCOC1 764805365 RTNKAYCCGZLAEP-ZWNOBZJWSA-N 319.358 -0.826 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)C(N)=O 769687259 KHVBBOULIDVIEL-QMMMGPOBSA-N 301.343 -0.377 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN(C)[C@@H]1CCSC1 772235722 NGQGVOWVUAYVDB-VHSXEESVSA-N 317.411 -0.087 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ccnc(F)c1 781358321 LPQMIQWKIMLYNI-UHFFFAOYSA-N 302.331 -0.606 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NN=C1CCN(S(C)(=O)=O)CC1 842551885 GDOLLXUQFYQXRI-GXSJLCMTSA-N 303.384 -0.061 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843979578 OWRURNNRZXGEBE-CMPLNLGQSA-N 323.349 -0.175 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCc2nnnn2CC1 846093910 JDKQZPKTMIREMO-SECBINFHSA-N 316.325 -0.705 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H](C2CC2)C(F)(F)F)N1 858462414 VCAIVJGVNDJOMN-POYBYMJQSA-N 308.260 -0.064 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1COCCN1 861683646 WIBBOUZFNSZJLU-CYBMUJFWSA-N 306.366 -0.144 50 20 DBGD CNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 863881685 BUIGXNJHXDIFHB-CYBMUJFWSA-N 320.154 -0.283 50 20 DBGD CN(C)C(=O)O[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 863884084 XUTZOHIIZPRXJC-ZDUSSCGKSA-N 320.154 -0.331 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)nc1 1116636142 TVZAFRZFUNLSGJ-UHFFFAOYSA-N 301.328 -0.965 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(C)c1 1116711859 FFBXCBSIIPANRI-UHFFFAOYSA-N 322.321 -0.680 50 20 DBGD O=C(CCCn1ccccc1=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884801 QQROERINNIBJCB-JTQLQIEISA-N 306.322 -0.946 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 1253208162 NLOYRMJQBFFADL-PRHODGIISA-N 317.367 -0.456 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnc2n1CCC2 1261662319 MHJCBNBNBPQZOS-MRVPVSSYSA-N 312.351 -0.975 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 1319242150 BBGVVPMJMIVEJY-SECBINFHSA-N 320.353 -0.333 50 20 DBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCO1 1320192868 ZSDMTVXFSOBHSK-GMTAPVOTSA-N 318.395 -0.226 50 20 DBGD Cc1nc(C(=O)NNc2nccc(N3CCOCC3)n2)no1 1323221220 GTCGTIIVCOFNJF-UHFFFAOYSA-N 305.298 -0.238 50 20 DBGD Cc1nc(NC(=O)C(=O)NNC(=O)CC2CCCC2)nn1C 1324239982 OPMSATYBHFLXEN-UHFFFAOYSA-N 308.342 -0.210 50 20 DBGD Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)nc2nc(O)nc(O)c12 1329673317 WPYSNSBBIGVYLI-ZETCQYMHSA-N 318.098 -0.567 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1347932124 UKOPELGZMDAGAR-HQJQHLMTSA-N 320.187 -0.520 50 20 DBGD CNC[C@H](O)[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1 1578648145 YYVWHUOGFDOYGE-APPZFPTMSA-N 300.746 -0.288 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](N)CCC(=O)OC 1579016161 BOZMXRZAECQAAL-SECBINFHSA-N 320.415 -0.859 50 20 DBGD N#CSCCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CNC[C@@H]12 1580056664 XZUIWPWCGLXRJC-VWYCJHECSA-N 317.436 -0.270 50 20 DBGD O=C(NCCc1cccs1)NNC(=O)C1=NOC2(CNC2)C1 1580698945 CNSFPXURNJWAQS-UHFFFAOYSA-N 323.378 -0.261 50 20 DBGD OB(O)[C@@H]1CCN(c2nc3ncccc3cc2-c2nn[nH]n2)C1 1593498133 JAVAGVPKKDJGQP-SECBINFHSA-N 311.114 -0.137 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1ncccc1C(=O)O 1594679878 UGDVMWBJYCOAJO-ZETCQYMHSA-N 307.266 -0.789 50 20 DBGD O=C(O)CS(=O)(=O)CCN1C[C@H]2[C@H](Br)[C@H]2C1 1595124452 RNROQXUQWINDBI-QMSLJYSESA-N 312.185 -0.189 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc(CC(=O)O)c2)CC1 1598608714 FGFJQRFIBHPJAA-UHFFFAOYSA-N 320.349 -0.085 50 20 DBGD Cc1ccc(OCCNC(=O)NNC(=O)C(=O)NC2CC2)cc1 43097005 FDUTXZVWAAOXDM-UHFFFAOYSA-N 320.349 -0.017 50 20 DBGD CCc1ccc(C(=O)NNC(=O)Cn2ncn(C)c2=O)cc1 179704970 SANTTYGYBYKNFS-UHFFFAOYSA-N 303.322 -0.395 50 20 DBGD CCOC(=O)/C(C#N)=C/NNC(=O)[C@@H](C)CN1CCOCC1 264519406 KJLLSBMTWDYAOC-UTEVDWOZSA-N 310.354 -0.454 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cn1cnc2ccccc21 264974071 JBIXLGKNAWTWLE-UHFFFAOYSA-N 303.322 -0.292 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CCCN1C(C)=O 271340458 BPPCDDXWXCLUDV-SECBINFHSA-N 304.441 -0.144 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 278058217 XXXQNKRQZIENEJ-UHFFFAOYSA-N 305.290 -0.799 50 20 DBGD CN(C)c1cc(NC(=O)NNC(=O)c2cnn(C)c2)ncn1 289754837 MSWRYZMEZCPIKJ-UHFFFAOYSA-N 304.314 -0.257 50 20 DBGD CCN(CCOCCO)CC(=O)NNC(=O)c1cccs1 313752227 IPNCFYMNTIYDGU-UHFFFAOYSA-N 315.395 -0.160 50 20 DBGD CC(=O)N[C@@H](C(=O)Nc1cccc(B(O)O)c1)C1CCCC1 584910116 MRMHLNXAMUADED-CQSZACIVSA-N 304.155 0.000 50 20 DBGD CC(C)(C)c1nc(CNC(=O)c2ccc(B(O)O)cc2)no1 584949622 RQYINUARCKNGER-UHFFFAOYSA-N 303.127 -0.023 50 20 DBGD COCCCN(C)CCNC(=O)c1cc(B(O)O)ccc1F 584951430 PBAGWCCQHPCSFG-UHFFFAOYSA-N 312.150 -0.796 50 20 DBGD Cc1nnc([C@H]2CN(C(=O)c3cccc(B(O)O)c3)CCO2)o1 584974005 LJJBWOHVZNRADY-GFCCVEGCSA-N 317.110 -0.728 50 20 DBGD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(B(O)O)cc1 584980313 WBHJXVJDMVUKHG-WXHSDQCUSA-N 302.139 -0.908 50 20 DBGD CN1CC[C@]2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 584995021 HGJPRIBTFKHIFF-MRXNPFEDSA-N 302.183 -0.076 50 20 DBGD CC(C)C[C@@H](CNCc1ccc(B(O)O)o1)N1CCOCC1 585016802 ZWBVXHFHJIAAOO-ZDUSSCGKSA-N 310.203 -0.204 50 20 DBGD CC(C)c1nnc2n1C[C@H](NCc1ccc(B(O)O)o1)CC2 585020500 ZGDOCWASJVJGLE-SNVBAGLBSA-N 304.159 -0.221 50 20 DBGD CC(C)[C@H](NCc1cccc(B(O)O)c1)C(=O)N1CCOCC1 585025918 GSBLJGXJHXAFLZ-HNNXBMFYSA-N 320.198 -0.661 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN1CSCC1=O 726077306 VSKGFSWKVNOYNF-UHFFFAOYSA-N 320.440 -0.607 50 20 DBGD CCC(=O)N1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 728435332 YLJCPUZWQNOVCW-SECBINFHSA-N 318.399 -0.571 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1cccn1C 731059120 VFSQCKXJZYAEQJ-UHFFFAOYSA-N 311.367 -0.001 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)COc1ccc(C(N)=O)cc1 731879276 KECYBNUWDDSJTA-UHFFFAOYSA-N 317.305 -0.343 50 20 DBGD CC(C)(O)CN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744396530 IJNMMGHBBZQJBY-UHFFFAOYSA-N 314.430 -0.432 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cccc(C(N)=O)n2)cn1 757737713 CZAHNQLMGMTNFC-UHFFFAOYSA-N 303.282 -0.620 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccc(C#N)cc2)nn1 763027802 BLYVMFBNMSQEOV-VIFPVBQESA-N 314.305 -0.336 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H](C)Sc2nncn2C)n[nH]1 765586938 MQLKRZCZSOQLAR-ZETCQYMHSA-N 309.355 -0.212 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)N2CCOCC2)nc1Cl 769829868 WCJIYTRCCIFOHS-UHFFFAOYSA-N 323.762 -0.691 50 20 DBGD COc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)CO 773497113 QJURPDWRIMAGHV-UHFFFAOYSA-N 301.686 -0.573 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cnn(C)c1C 778541249 BFWGJHQPWTWJNS-QMMMGPOBSA-N 301.372 -0.494 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1O 779489799 UPBVZWMUOQXFGV-SNVBAGLBSA-N 312.347 -0.104 50 20 DBGD COc1cccc(NNC(=O)Cn2ccc(=O)n(C)c2=O)n1 780772277 IKBKLPPVEURDIR-UHFFFAOYSA-N 305.294 -0.906 50 20 DBGD C[C@H](C#N)CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 781951831 RAFSSEGMIKNNLZ-SECBINFHSA-N 314.309 -0.234 50 20 DBGD O=C(Cn1ccnc1-c1nn[nH]n1)NNC(=O)c1ccccc1 826424840 GBXOVYONWXBPSY-UHFFFAOYSA-N 312.293 -0.476 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(C(N)=O)n1 831571017 MYZDGMHLVZNBDP-YUMQZZPRSA-N 307.310 -0.242 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 842591587 DNFUXQGSYMVBLF-WPRPVWTQSA-N 302.356 -0.363 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1nc2ccccn2c1=O 843640065 AZGVIFPTNYJDIS-NXEZZACHSA-N 319.321 -0.932 50 20 DBGD Nc1nccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1[N+](=O)[O-] 848157968 MMPFWVSYAGEOPT-MRVPVSSYSA-N 309.282 -0.098 50 20 DBGD CCOC(=O)CC1(S(=O)(=O)NNC(=O)c2cc[nH]n2)CC1 849310707 LJAONCLLZZDYCZ-UHFFFAOYSA-N 316.339 -0.540 50 20 DBGD COC(=O)[C@](C)(CO)NCC(=O)NNC(=O)c1ccc(C)cc1 852158291 UYSTVUOQZLPUTI-HNNXBMFYSA-N 323.349 -0.730 50 20 DBGD CN1CCN(C(=O)NNC(=O)C2(O)CCSCC2)CC1 854379097 NXFGOWMJTJVBDT-UHFFFAOYSA-N 302.400 -0.767 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C 857116458 GGJQRGSLGDLGEW-DJLDLDEBSA-N 321.399 -0.725 50 20 DBGD Cc1ccc2nc(C(=O)NNC(=O)C(=O)NC(C)C)cn2c1 858168304 QSMQCQDQELVXQZ-UHFFFAOYSA-N 303.322 -0.072 50 20 DBGD O=C(COc1ccc(F)cc1F)NNC(=O)[C@H]1CCC(=O)N1 862451006 GQLKJKGURRRKDT-SECBINFHSA-N 313.260 -0.230 50 20 DBGD COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)[C@H]1CCC(=O)N1 863378534 FHAMDKRLIBMQJU-NEPJUHHUSA-N 323.324 -0.191 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CCCN1C(=O)CCC1=O 915620075 TYJYJNWBQVDNAZ-UHFFFAOYSA-N 306.322 -0.285 50 20 DBGD CCCCNC(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920751387 WULACMIAHNULAQ-UHFFFAOYSA-N 321.341 -0.194 50 20 DBGD N#Cc1ccccc1S(=O)(=O)NNC(=O)c1cnccn1 1115824862 FWIJLHBCZOHAPL-UHFFFAOYSA-N 303.303 -0.028 50 20 DBGD CSCCNC(=S)NNC(=O)COCc1nncn1C 1117758650 POSNKFPPORIWRG-UHFFFAOYSA-N 318.428 -0.810 50 20 DBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNC(=O)c1cn[nH]c1 1119083172 ASEKMDGPDJCAOW-GHMZBOCLSA-N 308.342 -0.783 50 20 DBGD CN(C)N(C(=O)/C=C/c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1248442127 FKTFGMSYOXMFON-ITKZLYELSA-N 312.395 -0.074 50 20 DBGD Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=O)C(N)=O 1253982102 WHNUUEQLYWAMQM-UHFFFAOYSA-N 309.326 -0.613 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCC(NC(C)=O)CC1 1261100097 HXWJUSKZRIQPOK-UHFFFAOYSA-N 300.359 -0.199 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnc2ccccc2n1 1317721133 AJHWIWPPPFUSHA-UHFFFAOYSA-N 301.306 -0.085 50 20 DBGD CCc1ncc(NC(=O)C(=O)NNc2nccc(OC)n2)cn1 1320387185 RFSNJOASCDCHGB-UHFFFAOYSA-N 317.309 -0.081 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccnn1CC1CC1 1320521201 QNXATHBPHPMFBP-UHFFFAOYSA-N 309.326 -0.585 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnc(CC(C)C)nc1 1321059705 FHPOCGSWZADGES-UHFFFAOYSA-N 309.326 -0.593 50 20 DBGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 1327588990 CDOIJZSEFCAVEW-GXSJLCMTSA-N 323.353 -0.025 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2CC(=O)N2)cc1 1333779420 QFSJTVDWOQPCAB-SNVBAGLBSA-N 304.306 -0.640 50 20 DBGD C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NNC(=O)c1cn[nH]c1 1351351450 FDTZXYBXDSOMLL-MRVPVSSYSA-N 310.358 -0.001 50 20 DBGD NCCNC(=O)NNC(=O)c1ccc([C@H]2CCC(=O)N2)cc1 1580312792 VXMCUWMTUGMXAM-LLVKDONJSA-N 305.338 -0.460 50 20 DBGD O=C(C[C@@]1(O)CCCNC1)NNC(=O)c1n[nH]c2c1CCCC2 1580497786 JRBKMLNYUOKJRD-HNNXBMFYSA-N 321.381 -0.446 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NOCCO)cc(-c2nn[nH]n2)n1C 1591815305 CDBOYAMXMSYPLR-YHYXMXQVSA-N 317.309 -0.539 50 20 DBGD OB(O)[C@H]1CCN(c2c(-c3nn[nH]n3)nnc3ccccc23)C1 1593498832 VSNSVLGNNOXKGT-QMMMGPOBSA-N 311.114 -0.137 50 20 DBGD O=C(O)COCC(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 1602078210 JWORCMPIYYBZLX-FZMZJTMJSA-N 322.317 -0.192 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)COc1ccc(F)cc1 1604434890 PBELXRILNKEMLO-JTQLQIEISA-N 300.242 -0.549 50 20 DBGD O=C(NNc1cccc(C(=O)O)c1F)c1ccc(B(O)O)cc1 1608482627 CISNRSXAPHFRRS-UHFFFAOYSA-N 318.069 -0.039 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 1608530920 MPJPWARXZLSVSJ-UHFFFAOYSA-N 317.261 -0.957 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cn1 152503597 CIORKRVLNXMCID-UHFFFAOYSA-N 314.305 -0.325 50 20 DBGD COCCCOCC(=O)NNC(=O)CNC(=O)c1ccco1 271742241 REFIAHWJXOCDBS-UHFFFAOYSA-N 313.310 -0.790 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NCC(=O)N1CCOCC1 271900612 KACKWAKLULSYHV-UHFFFAOYSA-N 302.331 -0.416 50 20 DBGD Cc1cn2c(=O)c(C(=O)NNC(=O)C(C)(C)O)cnc2s1 276182618 CRWLBMBAWNEJCY-UHFFFAOYSA-N 310.335 -0.404 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 277985148 OYAYJGAQTIHXFL-UHFFFAOYSA-N 311.250 -0.145 50 20 DBGD C[C@H](NC(=O)NNc1ccc(-n2ccnc2)nn1)C(=O)N(C)C 288623756 JQTLVSWJMPYLQL-VIFPVBQESA-N 318.341 -0.235 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1=O 299692367 RSHCYTPCNOSKSV-QMMMGPOBSA-N 324.362 -0.896 50 20 DBGD O=C(CSc1nnnn1C1CC1)Nc1cccc(B(O)O)c1 404977871 ZWKSLVCJRAAXBN-UHFFFAOYSA-N 319.155 -0.581 50 20 DBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)OC(C)(C)C)C1 491476001 CSQAFOKBIKYQBF-JTQLQIEISA-N 301.391 -0.029 50 20 DBGD COC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 495327283 XMEFTPRNGJEPFD-UHFFFAOYSA-N 305.312 -0.161 50 20 DBGD COc1c(CNC(=O)c2cccc(B(O)O)c2)c(C)nn1C 584933805 LDZXGNUABGWLCP-UHFFFAOYSA-N 303.127 -0.653 50 20 DBGD CN1CC[C@@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@H]21 584971293 OIHDRQDLWYAVIG-QMTHXVAHSA-N 306.146 -0.328 50 20 DBGD CS(=O)(=O)CCCCNC(=O)c1ccc(B(O)O)c(F)c1 585000575 MBCIMOKCKZRHIX-UHFFFAOYSA-N 317.147 -0.940 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)NCC(F)(F)F 727278437 SEMRXZBJMNIQHL-UHFFFAOYSA-N 315.321 -0.248 50 20 DBGD Cn1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n1 727302436 KDNYMMNCJKHERX-UHFFFAOYSA-N 322.346 -0.102 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)C1(C(=O)NC2CC2)CC1 728892802 AGYRLDGBRQRGFD-UHFFFAOYSA-N 302.334 -0.170 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)C2=NNC(=O)C2)c1 732264844 ZBFFQRHPTNLTLF-UHFFFAOYSA-N 305.294 -0.870 50 20 DBGD CCOCCO[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748239930 MZFVKXWCHFSPCX-SNVBAGLBSA-N 301.343 -0.802 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)Cn1ccnc1 748454272 QYVKQSWOZHQSIS-QWRGUYRKSA-N 313.358 -0.347 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)CCN(C)C 748622121 DCXPLDKHPXIKAF-GHMZBOCLSA-N 304.391 -0.292 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F 756936763 QUOGWFVAUNSOHO-UHFFFAOYSA-N 309.250 -0.215 50 20 DBGD C[C@H](Oc1cccnc1)C(=O)NNc1ccc(C(N)=O)nn1 757403211 XFQJSCXILDBWND-QMMMGPOBSA-N 302.294 -0.119 50 20 DBGD CN(C)C(=O)CNC(=O)NNc1ccccc1S(C)(=O)=O 765638474 NKMWVJZPTSUHBK-UHFFFAOYSA-N 314.367 -0.196 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)C(=O)NCC(F)F 767950168 QRJWPDZEFAMJQN-UHFFFAOYSA-N 315.276 -0.268 50 20 DBGD COC(=O)C[C@@]1(NCC(=O)NNC(=O)C2CC2)CCCOC1 770700920 RHSWWNBBCKEXIS-AWEZNQCLSA-N 313.354 -0.754 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 770855817 GBLLHPVXLNFJDS-MWLCHTKSSA-N 306.322 -0.616 50 20 DBGD CCN1C[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1=O 770974415 LGNMGGUWVHADNT-ZETCQYMHSA-N 319.325 -0.620 50 20 DBGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)CO)c1 777780980 AMPXGRBUNZFRET-UHFFFAOYSA-N 315.351 -0.873 50 20 DBGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)c2cnn[nH]2)cn1 778733703 GLVSBAVSDOPJKV-UHFFFAOYSA-N 315.297 -0.514 50 20 DBGD COCCONC(=O)NNC(=O)COc1ccc(C#N)cc1 789349739 QVSUAVNSKCUBMP-UHFFFAOYSA-N 308.294 -0.155 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)NC2)cc1 801110014 LHGAPDDDTLGWJA-JTQLQIEISA-N 318.333 -0.393 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)N1CCO[C@H](C(=O)O)C1 819165351 BOFVQSIGSNJLKS-JTQLQIEISA-N 308.294 -0.850 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNc2ncccn2)n1 824449530 VBRCZHUSEUZCKC-UHFFFAOYSA-N 306.286 -0.220 50 20 DBGD CC1(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)COC1 824784689 YYMINXHONMLLDD-UHFFFAOYSA-N 302.294 -0.336 50 20 DBGD NC(=O)C1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1 826389500 ZVSOLTXREXGWRV-UHFFFAOYSA-N 301.310 -0.035 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 843646643 JSCRAPGCVMLDBH-WCBMZHEXSA-N 324.293 -0.671 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C1(C(=O)OC)CC1 854283889 OBTVTDHQDMRQEF-UHFFFAOYSA-N 303.384 -0.186 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 854840498 REASBAZEZJARGF-JUDLJHIGSA-N 316.383 -0.395 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H](C)n1cnc2c(N)ncnc21 854927695 OPGQTJSWJQOBPY-ZCFIWIBFSA-N 308.371 -0.563 50 20 DBGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc[nH]n2)CC1 855359299 MOBBFSOZCSNACS-UHFFFAOYSA-N 308.342 -0.436 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCNC2=O)c(C)c1 856792519 UUZMZLGOOZPFON-NSHDSACASA-N 304.350 -0.001 50 20 DBGD C[C@H](N)CCNC(=O)NNC(=O)CNC(=O)c1cccs1 857116030 VHMIALKRDBGRMQ-QMMMGPOBSA-N 313.383 -0.454 50 20 DBGD N#Cc1ccc(F)c(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858254065 CAIHHUVQDJHNCV-LLVKDONJSA-N 319.296 -0.194 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@]1(C)CCNC1=O 873834500 OCBAVMYVAZPSRU-LBPRGKRZSA-N 302.400 -0.613 50 20 DBGD O=S(=O)(CCCCl)NCCS(=O)(=O)NC1CC1 881781345 SZYQLRGTIWREEL-UHFFFAOYSA-N 304.821 -0.384 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNC(=S)NC(C)(C)C 899996957 ZVEIYAGVWBKCPL-UHFFFAOYSA-N 310.445 -0.438 50 20 DBGD CN(C)C1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 923013340 VODSMBVIDFWTHU-LLVKDONJSA-N 304.416 -0.538 50 20 DBGD C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)n1cncn1 1116751335 GXPFLUIPTUKQPB-NXEZZACHSA-N 301.372 -0.669 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CCNC1=O 1261760704 RHBJGJQCKYQDGX-SNVBAGLBSA-N 301.306 -0.840 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCN1C 1318837738 OGJIWVLLVXFWMH-MNOVXSKESA-N 311.386 -0.578 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H](C)N2C(=O)CCC2=O)nc1 1319528592 ISWCKHVIWMSNFS-MRVPVSSYSA-N 320.305 -0.151 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 1319751275 AEJLAQYGXDRLFC-GXFFZTMASA-N 301.343 -0.309 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 1320939695 WTILMZFTQHFSCB-UHFFFAOYSA-N 319.317 -0.128 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cncc(C#N)c1 1326976439 FZCKDCKDOVDETC-KWQFWETISA-N 310.335 -0.312 50 20 DBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1=O 1328685784 OBUJWZZSSHEKBV-JTQLQIEISA-N 308.342 -0.627 50 20 DBGD O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)[C@H]1CCC(=O)N1 1331802878 JMBANKINDWNECG-SNVBAGLBSA-N 305.338 -0.743 50 20 DBGD C[C@]1(CNC(=O)C(=O)NCC2(N)CC2)C[C@H]1Br 1356460204 AILWFHWYIVKTAO-GMSGAONNSA-N 304.188 -0.116 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)cn1 1549319685 ITDSWQRLYHSGIX-CHWSQXEVSA-N 318.381 -0.144 50 20 DBGD O=C(NCC1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1593027632 ISZZGSXAWNLSPO-UHFFFAOYSA-N 302.298 -0.384 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)c1cc(-c2nn[nH]n2)ccn1 1593157503 CHGICMGZLAESJJ-SECBINFHSA-N 319.350 -0.082 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)C3(C(=O)O)CCC3)nc21 1594586184 LSVDWLSUYDQDGE-UHFFFAOYSA-N 306.282 -0.233 50 20 DBGD Cn1nc(C(=O)NNC(=O)CC(=O)O)c2ccccc2c1=O 1600998828 QDLGOJOYXUQRDU-UHFFFAOYSA-N 304.262 -0.831 50 20 DBGD C[C@H]1CN(C)C[C@H](C(=O)NN=Cc2ccc(C(=O)O)nc2)O1 1776092195 CELCUHHGUQEBMV-JOYOIKCWSA-N 306.322 -0.051 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CCNC(N)=O)c1 61482656 HKFZVFOTCRKLNA-UHFFFAOYSA-N 308.338 -0.112 50 20 DBGD CCCSCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 124264119 YFDMZAPFZFKBQW-MRVPVSSYSA-N 309.413 -0.353 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CO2 139656575 ZOGHOTRORQODOL-UHFFFAOYSA-N 322.321 -0.002 50 20 DBGD COc1cccc(NNC(=O)NCCN2C(=O)CNC2=O)n1 272598257 RYXWUDCBEXOANH-UHFFFAOYSA-N 308.298 -0.732 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)NCC1CC1 276278037 FJKCHBQAFAFFGI-UHFFFAOYSA-N 321.333 -0.252 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)Cc2ccc(F)cc2)O1 276606901 MEYKFXBPYAGTFM-QWRGUYRKSA-N 309.297 -0.452 50 20 DBGD COC(=O)COCC(=O)NNC(=O)Cc1ccccc1OC 287021490 GMDBHCZSRTVSCK-UHFFFAOYSA-N 310.306 -0.425 50 20 DBGD C[C@H](O)CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 291371227 ZWLARHSEPMSODJ-VIFPVBQESA-N 310.310 -0.332 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cnc2[nH]c(=O)[nH]c2c1 295326530 GXPSFWNKNOXRII-SECBINFHSA-N 305.294 -0.419 50 20 DBGD O=C(NCC#Cc1ccccc1)NNC(=O)C(=O)N1CCCC1 299558725 ZDFHEJZUALCWJT-UHFFFAOYSA-N 314.345 -0.009 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 496137222 ARXVZUSZFIMIPR-WHGOUJPWSA-N 321.289 -0.529 50 20 DBGD CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584966499 BLABOJDHNLXQKG-LLVKDONJSA-N 322.145 -0.554 50 20 DBGD O=C(NC[C@@H](CO)CC1CCOCC1)c1ccc(B(O)O)cc1 584981227 AKSDYVYOCHXPBM-ZDUSSCGKSA-N 321.182 -0.479 50 20 DBGD CS(=O)(=O)CC1(CNCc2cccc(B(O)O)c2)CCC1 585045963 KSDOZHBFKRDAAI-UHFFFAOYSA-N 311.212 -0.329 50 20 DBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)c1ccc(F)c(F)c1 585065925 LCWZIXFCMBZEMN-VIFPVBQESA-N 312.081 -0.230 50 20 DBGD CC(C)NS(=O)(=O)c1cccnc1N1CC[C@@H](B(O)O)C1 585078522 FXDTXSKONOFLMH-SNVBAGLBSA-N 313.188 -0.179 50 20 DBGD CN(Cc1ccon1)C(=O)NNC(=O)CNC(=O)c1ccco1 740044463 WDPPWTGXEWVSDJ-UHFFFAOYSA-N 321.293 -0.130 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 757760706 HFSMRGXTOKVOAQ-UHFFFAOYSA-N 305.254 -0.388 50 20 DBGD CNC(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 765070131 ICSMRFQDGJCGEO-QMMMGPOBSA-N 302.331 -0.418 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 768260828 XMXUOKCJTBTNRH-JTQLQIEISA-N 305.334 -0.042 50 20 DBGD O=C(CN1CC(=O)N(CC2CC2)C1)NNC(=O)c1ccccc1 789383646 QHQTVTYWDWFURF-UHFFFAOYSA-N 316.361 -0.041 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCc2nnn(C)c2C1 811342601 AKNJJJZOEYAPHK-RKDXNWHRSA-N 323.353 -0.591 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 831000417 FNFOTEYVCSTHQM-UHFFFAOYSA-N 309.250 -0.215 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2c(C3CC3)cnn2C)CC1 854381929 VGZOPMSIJDSEMQ-UHFFFAOYSA-N 306.370 -0.101 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCCS2)N1 858402980 PUHBSQJKLABXRD-IUCAKERBSA-N 300.384 -0.119 50 20 DBGD N#Cc1ccc(CCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862450218 PGKFCRXLYOVMEQ-GFCCVEGCSA-N 300.318 -0.083 50 20 DBGD O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1CCC(=O)N1 862452404 KLOGBQXBMUIQNQ-SECBINFHSA-N 321.293 -0.567 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)N1 862458736 IERRMTHGSZKRPH-KQEQFQLCSA-N 315.373 -0.194 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)c1cn[nH]c1)n1cccn1 862474501 MOMBBYWIYBKTFY-VIFPVBQESA-N 319.325 -0.913 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c(F)c1 863413998 VKZZXTZEAWJBOS-SECBINFHSA-N 315.326 -0.278 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 863866384 TZISNMAMHUPOSR-CIQUZCHMSA-N 321.399 -0.869 50 20 DBGD Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 863882779 MZEKTWHLKQCEGO-JTQLQIEISA-N 317.179 -0.308 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=S)NC(C)(C)C)CC1=O 899992110 NHYOIQIHJPSKHS-SECBINFHSA-N 316.427 -0.225 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCc2nnnn2CC1 899998087 DXWSADJPYXMYPA-QMMMGPOBSA-N 311.415 -0.081 50 20 DBGD COC(=O)[C@H](C)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1 1118903668 XCRGFKPUWJWKDN-JTQLQIEISA-N 318.333 -0.187 50 20 DBGD Cc1nc(SCCC(=O)NNC(=O)C(=O)NC(C)C)n[nH]1 1252384990 ZDGRDOROWXNXFB-UHFFFAOYSA-N 314.371 -0.733 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 1318878459 ZJFMJCOVZKILBI-DTWKUNHWSA-N 314.342 -0.863 50 20 DBGD COc1ccnc(NNC(=O)c2cnn(C)c2-n2cnnc2)n1 1320805337 DTGFLOPCEMDSAZ-UHFFFAOYSA-N 315.297 -0.444 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2n(n1)CCCO2 1321954568 XUZNOSQCCQIRQK-UHFFFAOYSA-N 323.353 -0.269 50 20 DBGD O=C(COCC(=O)NNc1cccnn1)NCc1cccnc1 1325270138 BHIMFTYNXPFWTP-UHFFFAOYSA-N 316.321 -0.352 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C 1325555371 RCVWADFJBVYZPB-UHFFFAOYSA-N 320.309 -0.007 50 20 DBGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)c1cc[nH]n1 1347833683 XBFDJKFSYOXWDE-MRVPVSSYSA-N 300.340 -0.614 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CNOC1 1576295525 PCQHAHJUOHCTKR-RKDXNWHRSA-N 312.301 -0.173 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CNCCCO2)c1 1580074688 MLMXGYRQJDBTKQ-CYBMUJFWSA-N 317.349 -0.119 50 20 DBGD O=C(NC[C@@H]1CNCCC1(F)F)NNC(=O)c1ncccn1 1580664717 ZSUZFONMNFGMAW-QMMMGPOBSA-N 314.296 -0.335 50 20 DBGD O=C(NNC(=O)C1CCNCC1)c1ccc(Cn2ccnn2)o1 1580736453 SXXMHVIIPHBRPK-UHFFFAOYSA-N 318.337 -0.320 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCNCCC12CCC2 1580810070 GLXIBVPJYVUEFU-UHFFFAOYSA-N 306.146 -0.136 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1590767596 XUZTUCDHVTWMDH-UHFFFAOYSA-N 313.299 -0.799 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccnc1C(=O)O 1594705154 FWQBYLFDYYDZMQ-UHFFFAOYSA-N 304.266 -0.102 50 20 DBGD COC(=O)CN(CC(=O)O)CC(=O)NNC(=O)c1ccccc1 1606468197 SSQJUXPPINDQGI-UHFFFAOYSA-N 323.305 -0.993 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCCS1(=O)=O 1606857862 GHYBYROCWCVVFZ-MRVPVSSYSA-N 323.338 -0.718 50 20 DBGD O=C(O)c1coc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1610867395 HVODWWMMBPCIGU-LURJTMIESA-N 316.291 -0.827 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)NC2CCCCC2)cn1 265611319 XCINRDSEOZENFM-UHFFFAOYSA-N 322.369 -0.187 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCCN2CCOCC2)n1 279698153 RMNAJMHHPRSUFW-UHFFFAOYSA-N 307.354 -0.334 50 20 DBGD CCO/C=C(\C#N)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 292829022 WLQDWJIRCJIXAK-RJCSOLBVSA-N 301.368 -0.077 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(O)Cc2ccccc2C1 376892150 IBNVPFHUQKDLJA-UHFFFAOYSA-N 300.318 -0.371 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNC(=O)NC2CC2)C1 497087505 DDVGJSMYBPOUGS-UHFFFAOYSA-N 314.342 -0.539 50 20 DBGD CC[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](O)C(F)(F)F 584969248 SIKJCIUJYLRHPQ-VHSXEESVSA-N 305.061 -0.202 50 20 DBGD O=C1CC[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)CN1 585052666 UARCSYUWFKUIAO-VIFPVBQESA-N 301.111 -0.515 50 20 DBGD O=C(NC1CC1)C1(c2nc(-c3cccc(B(O)O)c3)no2)CC1 585053504 MISQNZTWCSYRDC-UHFFFAOYSA-N 313.122 -0.273 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@]23CCC(=O)N2CCS3)cn1 735470947 IIAQHMLVNUGVJD-GFCCVEGCSA-N 309.351 -0.753 50 20 DBGD N#CCOc1ccccc1C(=O)NNC(=O)C(=O)N1CCCC1 748239514 HYIDZESKMLSOMY-UHFFFAOYSA-N 316.317 -0.028 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNc2ncc(F)cn2)C1=O 760914512 GOULNTNUDOUSFH-ZDUSSCGKSA-N 322.300 -0.221 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)[C@]2(CO)CCOC2)c1 763893757 YWGYKHIZSJJFIA-INIZCTEOSA-N 321.377 -0.161 50 20 DBGD COc1nccnc1NNC(=O)c1cnc2c(c1)nnn2C 764482587 XSEHTEHFGMDYGB-UHFFFAOYSA-N 300.282 -0.081 50 20 DBGD CN(C)N(C(=O)CCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 792856460 YQLVMTSFYSWQLN-LBPRGKRZSA-N 319.427 -0.799 50 20 DBGD Cn1nncc1NNC(=O)CNC(=O)Cc1cccc(F)c1 816770083 JDAWSFARFKVFMJ-UHFFFAOYSA-N 306.301 -0.244 50 20 DBGD C[C@](O)(Cn1ccccc1=O)C(=O)NNc1ncncc1F 817082925 QKZKXGMPOBWNQA-ZDUSSCGKSA-N 307.285 -0.328 50 20 DBGD C[C@H](CO)N(C)NC(=O)CCN1CCN(c2ccccn2)CC1 823951573 LBZLSLWIAGOSJK-CQSZACIVSA-N 321.425 -0.063 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNC(=O)O)c1 831146449 PZFVLYCINPRLFZ-UHFFFAOYSA-N 320.261 -0.870 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 845482830 ILGZSQGDXQZJRW-GARJFASQSA-N 312.370 -0.390 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNc1ncncc1F 848122277 JCGVLRGBGQGQBB-UHFFFAOYSA-N 312.330 -0.444 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC[C@@H](O)c2ccccc2)N1 858698238 XFYJWGZDBOAONS-VXGBXAGGSA-N 320.349 -0.281 50 20 DBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](CC)O1 858702512 LUAJPLCRIXMCMI-MXWKQRLJSA-N 312.370 -0.105 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)[C@H]1CCCNC1=O 864465322 TXYJOEYYVQKQGT-VIFPVBQESA-N 309.297 -0.122 50 20 DBGD CC1=C(C(=O)NNC(=S)NC(C)(C)C)S(=O)(=O)CCO1 899996236 HNEFWVVFISIAIZ-UHFFFAOYSA-N 321.424 -0.043 50 20 DBGD C=CC(=O)N(CC)CC(=O)NNC(=O)C(C)(OCC)OCC 908065965 LOCNQEMSHAOSST-UHFFFAOYSA-N 315.370 -0.043 50 20 DBGD C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(B(O)O)cc1 912004946 XBYUEAFZXITPHE-MXWKQRLJSA-N 304.155 -0.554 50 20 DBGD CC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 919963102 ASXSJBDXJGUPSY-UHFFFAOYSA-N 323.330 -0.226 50 20 DBGD COCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCC1 1117010512 QUXMHINGIPIOLU-UHFFFAOYSA-N 306.322 -0.016 50 20 DBGD Cc1ncc(C(=O)NNC(=O)C(=O)NC(C)C)c(C2CC2)n1 1256522194 ABLOEIHZFPXNHH-UHFFFAOYSA-N 305.338 -0.052 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2O)n(C)n1 1320223762 ALVGRVLIUALIJY-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C2CCS(=O)(=O)CC2)n1 1321216922 HBLKCYJWJDRAOO-UHFFFAOYSA-N 311.363 -0.024 50 20 DBGD COCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)OC)c1 1321667324 FBDKNBAJPIXETG-UHFFFAOYSA-N 309.278 -0.908 50 20 DBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1327268331 RGNAQAIOYZXUIM-ZJUUUORDSA-N 323.353 -0.278 50 20 DBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](B(O)O)C1 1329214559 HGXPGZUIEJVBAH-VIFPVBQESA-N 312.156 -0.669 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(C(N)=O)o1 1329237379 WEVBSRQABDZSNO-CBAPKCEASA-N 310.310 -0.366 50 20 DBGD CO[C@]1(C(=O)NN=c2cc[nH]cc2Cl)CCS(=O)(=O)C1 1332756988 LTCHYXIKQXAGSI-LLVKDONJSA-N 319.770 -0.196 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(F)c(F)c1 1337071799 MOVWSHONYRWYJK-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD CN1C(=O)C(C)(C)c2cc(C(=O)NNC(=O)NCCN)ccc21 1578512841 AAMVLMGDUACCRE-UHFFFAOYSA-N 319.365 -0.157 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@H]2CCN2)cc(OC)c1OC 1579142399 SEYXJUFIBFLPHF-SECBINFHSA-N 309.322 -0.165 50 20 DBGD Cc1cccc2c1C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N2 1579776681 PHSYMWNQCBAEFI-NWDGAFQWSA-N 302.334 -0.242 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 1589719651 CNCKZEIPDKJCRK-UHFFFAOYSA-N 301.310 -0.159 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1593994522 HUKYPMQCOATVTM-ZJUUUORDSA-N 317.342 -0.377 50 20 DBGD O=C(O)COCC(=O)NNC(=O)CN1CCCc2ccccc21 1595106974 FVYGCGBNXAQPJG-UHFFFAOYSA-N 321.333 -0.312 50 20 DBGD COC(=O)c1ccc(C(=O)O)cc1S(=O)(=O)NNC(C)=O 1598967807 IYDDOWWSRVEBQN-UHFFFAOYSA-N 316.291 -0.499 50 20 DBGD C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)c1cc(B(O)O)ccc1F 1599876990 BZTNOPNWQNXIQP-RKDXNWHRSA-N 309.102 -0.169 50 20 DBGD NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787445506 KYCJACCKOQDTTF-KBIXCLLPSA-N 307.753 -0.541 50 20 DBGD CNC(=O)CC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843362403 SPBFGACXNVBTOQ-SNVBAGLBSA-N 305.737 -0.140 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)n1 131037504 XPZGIXCDJLNRHQ-UHFFFAOYSA-N 306.301 -0.271 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)c2cc3ccccc3o2)c1=O 182309521 XPCYKJFFEJTSEF-UHFFFAOYSA-N 315.289 -0.211 50 20 DBGD CN(NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(N)=O 272255149 ZZCSVFAKYVTFPW-AWEZNQCLSA-N 319.321 -0.505 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1C 274050867 GZRQGQBCGSBMAS-GFCCVEGCSA-N 321.333 -0.195 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1 276584918 JUVJTKYOGNPRRH-VHSXEESVSA-N 322.277 -0.611 50 20 DBGD CC(C)C(=O)NC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584930523 YSSMVVRNCYWDIZ-UHFFFAOYSA-N 318.182 -0.257 50 20 DBGD O=C(NCC[C@@]1(O)CCCOC1)c1cc(B(O)O)ccc1F 585005068 WLPUTICNHRCSSL-AWEZNQCLSA-N 311.118 -0.833 50 20 DBGD OB(O)c1ccc(CNC[C@H](O)COc2ccccc2)cc1 585018311 UREXMWWWGDFWHL-HNNXBMFYSA-N 301.151 -0.104 50 20 DBGD COCc1nc2n(n1)C[C@@H](NCc1ccccc1B(O)O)CC2 585028658 ODTOLDKALXWXQQ-LBPRGKRZSA-N 316.170 -0.791 50 20 DBGD CCOc1ccccc1[C@H](CC(=O)NCB(O)O)NC(C)=O 585060094 MOZOHBWMUODBAV-LBPRGKRZSA-N 308.143 -0.219 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N(C)C 730272226 AIHSUTFPTMDOCW-VHSXEESVSA-N 305.400 -0.845 50 20 DBGD COc1ccccc1C(=O)NN=Cc1cn(C)c(=O)n(C)c1=O 731488602 MATDSKCDZYBNTC-UHFFFAOYSA-N 316.317 -0.144 50 20 DBGD O=C(C#Cc1ccccc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 747366590 XAMTVQUBQVZVIQ-LBPRGKRZSA-N 321.358 -0.444 50 20 DBGD CC[C@H](NC(=O)NNC(=O)C(C)C)C(=O)N1CCOCC1 753055105 AUXMKDAYKUOPRU-JTQLQIEISA-N 300.359 -0.390 50 20 DBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 753092222 DCQQAIWUSCJBJM-SNVBAGLBSA-N 320.415 -0.356 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccc(C#N)cc2)nn1 763027801 BLYVMFBNMSQEOV-SECBINFHSA-N 314.305 -0.336 50 20 DBGD CC(C)(C)C(=O)Nc1nccnc1C(=O)NNC(=O)C(C)(C)O 768259760 PEZQYBQLRYIBQG-UHFFFAOYSA-N 323.353 -0.007 50 20 DBGD CO[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 771268123 YRLITXZZCROGNG-DTWKUNHWSA-N 307.372 -0.825 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN(C)c1ncccn1 771990063 OVTNVVYQCRGVEY-VIFPVBQESA-N 309.326 -0.598 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cnn(C)c2)nn1 772844668 KJFFYSAHHSJIML-UHFFFAOYSA-N 305.298 -0.661 50 20 DBGD O=C(CO)NN=Cc1c(N2CCOCC2)nc2ccccn12 776779233 BMOUEDZBOYHYEH-UHFFFAOYSA-N 303.322 -0.387 50 20 DBGD Cc1nnsc1C(=O)NNC(=O)CNC(=O)c1ccco1 787995141 HDYCWTNTJLDQDW-UHFFFAOYSA-N 309.307 -0.369 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNc1nc2ccccn2n1 791242636 SVAVPWGYQIJXNN-UHFFFAOYSA-N 317.309 -0.496 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)N=c1nc[nH]n1C 794242187 AIOJPFDZKBLDPL-UHFFFAOYSA-N 300.319 -0.821 50 20 DBGD C[C@@H]1C[C@@H](N2CCOCC2)CN1CC(=O)NNC(=O)C1CC1 796373679 CHLXGIZLUPQLAH-DGCLKSJQSA-N 310.398 -0.661 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)NCC1CC1 822645674 JZWXAROFMQZWGE-UHFFFAOYSA-N 304.314 -0.441 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)N1 845821710 JASOJYZFFZBIRW-NSHDSACASA-N 311.363 -0.623 50 20 DBGD O=C(NNc1cnc2ccccc2n1)[C@H]1CCS(=O)(=O)N1 845945720 GJPWQVWEUOVYNR-SNVBAGLBSA-N 307.335 -0.235 50 20 DBGD O=C(NNc1ncc(Br)cn1)[C@H]1CNCCO1 848436284 LZFMPXHDWRXGJK-SSDOTTSWSA-N 302.132 -0.329 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@H]1CCC(=O)N1 854281437 UWSNQQJKOYDWQW-SECBINFHSA-N 302.400 -0.471 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCCSC2)N1 858459068 QDKBAOSQUUEUJJ-BDAKNGLRSA-N 300.384 -0.261 50 20 DBGD C[C@@](O)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 858697974 VSIIGXDUXXBNQR-XHDPSFHLSA-N 320.349 -0.497 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2COCCN2)c1 861681852 SEYZNXBWIRJWMX-LBPRGKRZSA-N 322.365 -0.307 50 20 DBGD O=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1cn[nH]c1 862475043 WWJUJZLJSKVVQU-UHFFFAOYSA-N 314.367 -0.082 50 20 DBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)CS(C)(=O)=O 863463237 GIUYOEPZJOMNME-MRVPVSSYSA-N 301.324 -0.959 50 20 DBGD CC[C@@]1(C(=O)NNC(=S)NCCSC)CCNC1=O 867162263 JFZHLEYEXNXUEF-LLVKDONJSA-N 304.441 -0.239 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 884439121 VCWQAGQBRQJPKP-AGIUHOORSA-N 308.382 -0.161 50 20 DBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 915262471 YQSLJEVMRGFFAW-UWVGGRQHSA-N 306.384 -0.370 50 20 DBGD O=C(CCCNC(=O)C1CC1)NNC(=O)CN1CCCC1=O 920436039 UMLNKKPDLGVXDE-UHFFFAOYSA-N 310.354 -0.937 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc1O 1251426977 BCBZIQPFYWSYDR-SNVBAGLBSA-N 320.353 -0.023 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CCS(C)(=O)=O)n1 1317890271 WHENZSAPVSDSQT-UHFFFAOYSA-N 302.356 -0.918 50 20 DBGD CC(C)CCn1cc(C(=O)NNC(=O)C(=O)NC(C)C)nn1 1319039304 LZOJSDIHSARTOF-UHFFFAOYSA-N 310.358 -0.390 50 20 DBGD O=C(NCCn1cccn1)NNC(=O)C(=O)Nc1ccccn1 1323814428 RVRQJPDJSLILRG-UHFFFAOYSA-N 317.309 -0.753 50 20 DBGD COCCNCCNC(=O)NNc1nncc(N)c1Cl 1328724324 HWPNRZLGASZXOL-UHFFFAOYSA-N 303.754 -0.426 50 20 DBGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1345813002 QTVSWBJVHFPCEF-VHSXEESVSA-N 323.353 -0.025 50 20 DBGD O=C(NNC(=O)N1CCC(Cn2ccnn2)CC1)c1cn[nH]c1 1348122208 FUHJRGLHFIOWEZ-UHFFFAOYSA-N 318.341 -0.232 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C2CC2)C2CNC2)n1 1579836391 SUMRBXPMZLBVOU-UHFFFAOYSA-N 323.422 -0.422 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1589411763 ZRHZZUIOEZYGTI-UHFFFAOYSA-N 300.300 -0.575 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1590336535 IJRXHPCYKIKIFP-SFYZADRCSA-N 319.325 -0.609 50 20 DBGD COCCN1C[C@H](C(=O)NNc2ncccc2C(=O)O)CC1=O 1594014368 BHIAEUGNOFOFJB-SECBINFHSA-N 322.321 -0.282 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CO[C@@H](CCC(=O)O)C2)n[nH]1 1594281139 TVHUFGSKHGDBAM-IUCAKERBSA-N 310.310 -0.251 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ccc(C(=O)O)cc1F 1597224584 DSNOWDOXEITJOF-UHFFFAOYSA-N 319.314 -0.094 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(C)(C)C(=O)O)CC1 1604860137 RRXRRRMBZLOJOZ-JTQLQIEISA-N 314.386 -0.587 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1 113425710 ZWKGVIYAUKVERX-UHFFFAOYSA-N 312.757 -0.221 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1F 263967665 OFPXDVBFHQVWPF-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)COc2ccccc2O)CC1 264560031 QMKKJIRLYCSCCG-UHFFFAOYSA-N 307.306 -0.555 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1c(O)cccc1F 274894864 BXEVJCGMDASVPO-LURJTMIESA-N 319.314 -0.770 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCCCC(=O)N1 279057721 PBTNFGFROOVDCO-JTQLQIEISA-N 321.333 -0.023 50 20 DBGD O=C(C[C@@H]1CCCO1)NNC(=O)c1ccc(-n2cnnn2)cc1 298656970 HABMHAHYNUEXOC-LBPRGKRZSA-N 316.321 -0.008 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)C(C)(C)C)cc1C(N)=O 298842074 GYOVGNIASRNQNH-UHFFFAOYSA-N 302.356 -0.520 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)C(C)(C)C)C1=O 299550396 QMVSSQJHVJYAFB-UHFFFAOYSA-N 310.310 -0.843 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 369728935 FKHGZLKTHNFZQJ-SNVBAGLBSA-N 320.349 -0.652 50 20 DBGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)N1CCOCC1)CC2 374249930 IIELNCIVEKBKBJ-SNVBAGLBSA-N 307.354 -0.402 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)OC)ccc1OC 490597536 GRRONAYCFIKTLV-UHFFFAOYSA-N 317.323 -0.396 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H](O)c1cccnc1 495817681 HEAYZFHRZLHZBO-LLVKDONJSA-N 324.337 -0.213 50 20 DBGD COCCN(CCNC(=O)c1ccc(B(O)O)cc1)C1CC1 584943270 KJKSXCGEUNLMRN-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CN1CCC[C@@H](CN(C)C(=O)c2cc(B(O)O)ccc2F)C1 584947320 LODQHEIFPSNHAM-LLVKDONJSA-N 308.162 -0.081 50 20 DBGD N#Cc1ccncc1O[C@H]1CCN(Cc2ccc(B(O)O)o2)C1 585045042 ZYFORDHLPXUWIR-ZDUSSCGKSA-N 313.122 -0.121 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2nccn2c1 728460040 GQNWADPSMQSZAO-SNVBAGLBSA-N 322.346 -0.470 50 20 DBGD C[C@H](C(=O)NNC(=O)COc1ccccc1O)n1cncn1 730779183 WNRCTODMPPNXQJ-SECBINFHSA-N 305.294 -0.229 50 20 DBGD CCOC(=O)[C@@H]1CSCCN1CC(=O)NNC(=O)C1CC1 733194409 PKNHCNQQPNZDGL-JTQLQIEISA-N 315.395 -0.476 50 20 DBGD C=CCOCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735437020 CTDABMFXSGJOFA-UHFFFAOYSA-N 302.294 -0.170 50 20 DBGD COCCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 736975337 ADWMNEODLCLQEQ-UHFFFAOYSA-N 320.309 -0.571 50 20 DBGD O=C(CSCc1cscn1)NNC(=O)C(=O)NC1CC1 746820439 HDZGXRFJAGJBEP-UHFFFAOYSA-N 314.392 -0.198 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCC(=O)NC(C)C 748614675 RHLJWTVFBUAROS-SNVBAGLBSA-N 318.374 -0.717 50 20 DBGD CCc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)no1 756688658 QDSNHXJKXDAKJX-LURJTMIESA-N 319.343 -0.673 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1C 757753200 KXDDHTVTOFMSNK-QMMMGPOBSA-N 315.355 -0.684 50 20 DBGD COC(=O)c1ccc(NNC(=O)Cn2cnc(C#N)n2)nc1 759729105 BMUQABRLVBKWEJ-UHFFFAOYSA-N 301.266 -0.525 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc2nnc(O)n2c1 762680843 KMRCCYOZFRRRTJ-UHFFFAOYSA-N 300.278 -0.152 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C#N 764325858 UVOUHQOZJMCVDK-UHFFFAOYSA-N 308.269 -0.180 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCN(C)C1=O 772512171 ZHWREGNYNPBVJC-VHSXEESVSA-N 313.354 -0.410 50 20 DBGD CCNC(=O)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 772692505 SBFUQPXNHUFUEU-UHFFFAOYSA-N 322.369 -0.094 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cc([C@H](C)O)nn2)n1 794073070 VVAGXKOQWYFGGG-VIFPVBQESA-N 304.310 -0.504 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC(=O)N2CCCC[C@@H]12 799478803 OTGXRYDLHJUJGU-WPRPVWTQSA-N 316.383 -0.819 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn(CCF)c1 808569207 BBWHDZXHOZHYMI-MRVPVSSYSA-N 300.290 -0.045 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 845417433 DNNXXTHLPGMFOU-MRVPVSSYSA-N 306.388 -0.603 50 20 DBGD O=C1CC[C@H](C(=O)NNc2ncc(Br)cn2)N1 848320435 UWFYCVYMCXNGHZ-ZCFIWIBFSA-N 300.116 -0.039 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCCN1C=O 854286476 QFZMHVYEUDUQAL-SNVBAGLBSA-N 302.400 -0.519 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 861852888 LMSJKRXTOAWNST-IUCAKERBSA-N 318.399 -0.507 50 20 DBGD COc1ccc(COCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862452360 JYZJHEMJJLLTEK-LBPRGKRZSA-N 321.333 -0.362 50 20 DBGD COc1cc(C=NNC(=O)CS(C)(=O)=O)cc(O)c1O 863188466 FDHRZLZXKZSYGO-UHFFFAOYSA-N 302.308 -0.399 50 20 DBGD CCOC(=O)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863870696 MDZXMPKNSZTRFO-UHFFFAOYSA-N 323.129 -0.079 50 20 DBGD CC1([C@H]2CCCN(C(=O)c3cccc(B(O)O)c3)C2)OCCO1 863879218 OMOQIERSRHRPNS-ZDUSSCGKSA-N 319.166 -0.018 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(CCC#N)CC1 868735102 DVBVPJGFZJCJIE-NEPJUHHUSA-N 309.370 -0.317 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)C2CSC2)C[C@H](C)O1 895510273 BQZOFOKWCILEFR-UWVGGRQHSA-N 301.412 -0.004 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NN(C)C[C@H](C)O)C2=O 910177485 MLGRPQVKJYFUKG-JTQLQIEISA-N 305.334 -0.065 50 20 DBGD COc1ccc(CC(=O)O)cc1S(=O)(=O)NNC(C)=O 919954075 CHNFUDXUCGMMTF-UHFFFAOYSA-N 302.308 -0.348 50 20 DBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)CN1CCCC1=O 920433945 MDICNNKBIBMCEY-UHFFFAOYSA-N 321.381 -0.261 50 20 DBGD CC(C)CCn1nccc1NC(=O)C(=O)NNC(=O)CCO 1254905307 NCFVRGRAMOKHDW-UHFFFAOYSA-N 311.342 -0.603 50 20 DBGD C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NNC(=O)c1cn[nH]c1 1261792204 PRUXXPUANUGBFR-YUMQZZPRSA-N 317.371 -0.483 50 20 DBGD COCCOCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324356406 FBAJXYZLYKZRHT-LLVKDONJSA-N 308.400 -0.468 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ncncc1F 1325040979 ACBXDCOYRVEECZ-UHFFFAOYSA-N 314.302 -0.642 50 20 DBGD Cn1cnc(NC(=O)C(=O)NNC(=O)c2cccc(Cl)c2)n1 1326282337 DOCSIXNJECZSKR-UHFFFAOYSA-N 322.712 -0.132 50 20 DBGD CCc1ocnc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1339376445 GPACICDQVYRTBZ-SSDOTTSWSA-N 301.324 -0.567 50 20 DBGD O=C(CN1CC[C@H]2CNC[C@H]21)NNC(=O)c1ccc(F)cc1 1580551642 QDWAIPBYEVBNSA-WCQYABFASA-N 306.341 -0.120 50 20 DBGD C[C@]1(NNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCS(=O)(=O)C1 1589250000 SDIILGGSMFPSSP-PTRXPTGYSA-N 319.383 -0.379 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc2c(c1)CC(=O)N2C 1593101778 KTHBDQWDYUWRKI-SSDOTTSWSA-N 320.305 -0.319 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccsc1-c1nn[nH]n1 1603198754 RDZHIBMMLNPDRZ-UHFFFAOYSA-N 316.368 -0.106 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCCCO1 1605453181 VXRUYKIUGKQEEP-SNVBAGLBSA-N 319.325 -0.167 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1606411653 YTAYGIGJGFXAAJ-SFYZADRCSA-N 302.298 -0.784 50 20 DBGD O=C(CN1CCC(O)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 23993206 CJPMIQXRCXNQCA-UHFFFAOYSA-N 322.321 -0.188 50 20 DBGD CCNC(=O)CN1CCN(S(=O)(=O)CCCCl)CC1 37842555 KEVYGUUZTRBOOO-UHFFFAOYSA-N 311.835 -0.301 50 20 DBGD COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)C(=O)NC2CC2)c1 145955258 NHVMHWSFZJJHQS-UHFFFAOYSA-N 322.277 -0.357 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-n2cccn2)nc1 155722688 CHNQIKGDOXYOQK-UHFFFAOYSA-N 303.326 -0.018 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(F)cc1F 264071384 BNWVNYRCGKMIOY-LURJTMIESA-N 321.305 -0.337 50 20 DBGD COCCO[C@H](C)C(=O)NN[C@@H](Cc1ccccc1)C(N)=O 273497727 XYQZPRYWNCDOSF-YPMHNXCESA-N 309.366 -0.245 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1cccc([N+](=O)[O-])c1 276098271 WJVKWZJLJJUHPN-UHFFFAOYSA-N 317.327 -0.230 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CCCC(N)=O 279709443 KLJKVUWBPSQPMO-UHFFFAOYSA-N 309.322 -0.123 50 20 DBGD O=C(NCc1cccc(O)c1)NNC(=O)C(=O)N1CCCC1 299528598 RWKXAGHDPFTLIP-UHFFFAOYSA-N 306.322 -0.155 50 20 DBGD C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cc(B(O)O)ccc1F 584945717 SFDQHNSPHHOVKN-MRVPVSSYSA-N 317.147 -0.989 50 20 DBGD CN(CCNS(C)(=O)=O)S(=O)(=O)CBr 689668412 WVGXBFKPBMTLCD-UHFFFAOYSA-N 309.207 -0.850 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1[N+](=O)[O-] 726612618 HQCKYYTWAIBGLN-UHFFFAOYSA-N 324.293 -0.111 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cn1 735446278 JWDCYTBJCYDYFK-SECBINFHSA-N 307.354 -0.172 50 20 DBGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 764204321 LCVCWRZRJARGDS-UHFFFAOYSA-N 318.333 -0.654 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ncccn1 764341017 AOMMITXTLPSKMU-UHFFFAOYSA-N 300.278 -0.937 50 20 DBGD COc1nccnc1NNC(=O)Cn1c(C)cc(O)cc1=O 764460155 KISAJYFVKQPHKE-UHFFFAOYSA-N 305.294 -0.196 50 20 DBGD COC(=O)N(C)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772022928 YAQMOHPNJVTXRG-SECBINFHSA-N 317.342 -0.190 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778445879 VQVKCPURNAJPFV-QMMMGPOBSA-N 316.358 -0.427 50 20 DBGD CC(C)(O)CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 786681115 RZGKHXYIJJDISL-UHFFFAOYSA-N 318.337 -0.026 50 20 DBGD CS(=O)(=O)c1cc(NC(=O)NNC(=O)CO)ccc1Cl 788308697 CSAGCJHUGGEZTG-UHFFFAOYSA-N 321.742 -0.112 50 20 DBGD O=S(=O)(CBr)NC[C@@H](CO)[C@H]1CCOC1 795392707 HWQKWIVOZUZROS-YUMQZZPRSA-N 302.190 -0.097 50 20 DBGD O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)C(=O)NC1CC1 823272939 AEFKOKLQTRPJDQ-UHFFFAOYSA-N 305.323 -0.343 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)COCc1ccccc1 828320145 XMKJYFXZDZGREB-CYBMUJFWSA-N 305.334 -0.029 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN(C)[C@@H]1CCSC1 843660345 KAVCWODVGHCQKW-HBNTYKKESA-N 301.412 -0.004 50 20 DBGD CC1=C(C(=O)NNc2ncccn2)[C@@H](C)n2nnnc2N1C 847320947 JTKMQRPFGRTVPF-MRVPVSSYSA-N 301.314 -0.109 50 20 DBGD C[C@@H](C(=O)NNC(=O)CC1CC1)n1cnc2c(N)ncnc21 854667454 KGZGXUXMVUDAEA-ZETCQYMHSA-N 303.326 -0.083 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(C3CC3)nn2)N1 860779564 GBESBWXVHNFWIU-SECBINFHSA-N 304.310 -0.215 50 20 DBGD C[C@@H]1CCCc2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)n21 862463965 POTZVMCUHLSUMS-BDAKNGLRSA-N 305.338 -0.180 50 20 DBGD Cc1cccc(NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)n1 862519980 ZLEQCRUOSIGWSO-SNVBAGLBSA-N 313.383 -0.251 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@@H]1C1OCCO1 863872463 SJNUCGKNGGGBHD-CYBMUJFWSA-N 323.129 -0.127 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1C 864232303 ZKXPQFAKGGFKTO-MRVPVSSYSA-N 316.144 -0.951 50 20 DBGD C#CCN1CCC(C(=O)NNC(=O)Cc2cc(C)[nH]n2)CC1 869012127 GZVLMAVBQVTTHF-UHFFFAOYSA-N 303.366 -0.247 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)N1 912977920 NRHJAIRYHMZGAL-ASSXTNMASA-N 301.730 -0.659 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)CNC(=O)C1CC1 914857670 QHXCJDRXPUDUES-UHFFFAOYSA-N 320.349 -0.219 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 1318878460 ZJFMJCOVZKILBI-IUCAKERBSA-N 314.342 -0.863 50 20 DBGD Cc1sc(=O)n(CC(=O)NNc2ccc(C(N)=O)nn2)c1C 1319076529 HFWQPGCVSCOWFV-UHFFFAOYSA-N 322.350 -0.441 50 20 DBGD N#Cc1cc(Cl)nc(NNC(=O)CN2CCC(=O)NC2=O)c1 1319695083 NJYZUDVVPHWUSH-UHFFFAOYSA-N 322.712 -0.008 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c(C)n1 1320231707 AWKNCAFMRBPNDK-UHFFFAOYSA-N 316.321 -0.250 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(CNC(C)=O)cc1 1320240749 HCRDKQNKONWDNZ-UHFFFAOYSA-N 322.321 -0.945 50 20 DBGD CCc1nnsc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1321415035 XOLNWDCWSVANER-LURJTMIESA-N 318.380 -0.704 50 20 DBGD CNC(=O)c1cc2cc(NC(=O)C(=O)NNC(C)=O)ccc2[nH]1 1324955919 ZFILGAGHGSSYNE-UHFFFAOYSA-N 317.305 -0.367 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1326765618 VSHVBLJTQPEUTJ-NSHDSACASA-N 311.363 -0.404 50 20 DBGD COCCCNC(=S)N(C)NC(=O)Cc1nnc(C)o1 1327731854 DYSZZZZXRWPUJA-UHFFFAOYSA-N 301.372 -0.205 50 20 DBGD COC(=O)c1ncoc1CCC(=O)NNC(=O)c1c[nH]nc1C 1338167924 REKLTNWQUCZEAL-UHFFFAOYSA-N 321.293 -0.113 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1346507933 BFCXYLALRJNNTQ-UWVGGRQHSA-N 317.484 -0.767 50 20 DBGD C[C@]1(NNC(=O)NC[C@@H]2CCCCCN2)CCS(=O)(=O)C1 1346701509 QQUIHFPQFHCAFA-AAEUAGOBSA-N 318.443 -0.100 50 20 DBGD C[C@H]1CCS(=O)(=O)CCN1C(=O)NNC(=O)c1cn[nH]c1 1351353853 UTKKUFDEVSVIDZ-QMMMGPOBSA-N 315.355 -0.727 50 20 DBGD C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)N1CCNCC1=O 1575071589 NNDTVYXRDJKLPQ-SECBINFHSA-N 324.768 -0.079 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)C1CCNCC1 1579992191 DRHPQOWJUYKBAB-UHFFFAOYSA-N 306.370 -0.618 50 20 DBGD C[C@@H](C[S@](C)=O)NC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1589888433 LVAGIKRNBVRWEO-QNLYAUKNSA-N 324.370 -0.345 50 20 DBGD CN(C)CCN1C(=O)C(=NNC(=O)C(=O)O)c2ccccc21 1606027725 YCTHKESKNXWWET-UHFFFAOYSA-N 304.306 -0.500 50 20 DBGD Cn1nnc(CNC(=O)NNc2ccc(C(=O)O)cc2F)n1 1610617198 QAKJVBCOAFYPOM-UHFFFAOYSA-N 309.261 -0.126 50 20 DBGD CC(C)N1C[C@H](NC(=O)NNC(=O)Cc2cccnc2)CC1=O 267565563 FWZJSYNAYHAMNK-GFCCVEGCSA-N 319.365 -0.036 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)OC 285460658 ANUOMBKJUFSBFJ-NXEZZACHSA-N 313.354 -0.362 50 20 DBGD CC(C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)N(C)C 584930412 XGJYENLQOXRHRS-GFCCVEGCSA-N 310.134 -0.652 50 20 DBGD CN(C)CCCN(CCC#N)C(=O)c1cc(B(O)O)ccc1F 584933445 HMWCJFDVYXLIQH-UHFFFAOYSA-N 321.161 -0.187 50 20 DBGD Cc1nnc(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)n1C 584946709 YXNJRXUUURGVTP-UHFFFAOYSA-N 306.106 -0.785 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](c2nnc(O)o2)C1 584986029 VPWIRTXWFSWQKK-SNVBAGLBSA-N 317.110 -0.525 50 20 DBGD O=C(NCB(O)O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 585059321 JFUHHHUQTBQYDW-QMMMGPOBSA-N 318.185 -0.971 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C1CCC1 742664904 MOIGGRCZZLSDGM-LSKIRQOJSA-N 321.333 -0.904 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O)o1 752965247 NBYVFUZEBUPYKS-SSDOTTSWSA-N 303.340 -0.035 50 20 DBGD O=C(CO)NNC(=O)c1cc(Br)c2c(c1)OCO2 753442680 MBOMKMLPONRHPA-UHFFFAOYSA-N 317.095 -0.069 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c(O)cccc1O 770380531 NPQYDHJQPYXTQR-ZETCQYMHSA-N 314.319 -0.707 50 20 DBGD C[C@H]1C(=O)N(C)CCN1CC(=O)NNC(=O)c1cccs1 778257409 HXUBGNXNJKSYJC-VIFPVBQESA-N 310.379 -0.328 50 20 DBGD COC1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCC1 780859559 GGNYSPBSVFXNIH-LLVKDONJSA-N 305.400 -0.064 50 20 DBGD O=C(NNC(=O)c1cc2nn[nH]c2cc1F)C(=O)N1CCCC1 781922541 HFULCGNCTRUNAE-UHFFFAOYSA-N 320.284 -0.520 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)OCC(=O)N2C 799246327 XOOFHCIMNNPAMU-UHFFFAOYSA-N 321.337 -0.244 50 20 DBGD Cc1cccc(CCCNC(=O)NNC(=O)C(=O)NC2CC2)n1 807429360 QMMDCDZCWYXWGB-UHFFFAOYSA-N 319.365 -0.068 50 20 DBGD CC(=NNC(=O)C(C)(C)O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811648443 KRZJPIDUZZJDCE-UHFFFAOYSA-N 304.306 -0.173 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)CC1 822764604 KFALJSAWYWGKQF-ZDUSSCGKSA-N 309.414 -0.009 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825770893 RRHFXHFUOJLQJC-VHSXEESVSA-N 300.359 -0.390 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@H]1CCOC1 826445569 ZOBLXPYYDBFPOH-JTQLQIEISA-N 317.309 -0.400 50 20 DBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)[C@H](C)OCCOC)C1 838748129 AOGGAYOTHUDOEE-GARJFASQSA-N 303.359 -0.064 50 20 DBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2ncccn2)C1 841676059 LQWMDFUCOIALHF-AOOOYVTPSA-N 313.383 -0.066 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 854388769 XJMVZDSWTFKVRF-IUCAKERBSA-N 301.343 -0.566 50 20 DBGD Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453132 RRVJENHTAYQFLW-QMMMGPOBSA-N 307.354 -0.243 50 20 DBGD CC(=O)C[C@@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 863877795 FUZOIFQASOEYGQ-LLVKDONJSA-N 309.102 -0.674 50 20 DBGD O=C(Cn1cccc(C(F)(F)F)c1=O)N1CC[C@H](B(O)O)C1 864234907 YMNNCEXQTJBZIA-QMMMGPOBSA-N 318.060 -0.058 50 20 DBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)c1ccccc1 913730171 KAHSQVUZZLAUTI-UHFFFAOYSA-N 304.350 -0.107 50 20 DBGD O=C(NN=C1CCN(c2cnccn2)CC1)C(=O)NC1CC1 915956125 QOXIDNKRPGJSBM-UHFFFAOYSA-N 302.338 -0.172 50 20 DBGD O=C(NNC(=O)c1cnn[nH]1)c1csc(N2CCOCC2)n1 918286142 ZIMBBNFDPXACBC-UHFFFAOYSA-N 323.338 -0.827 50 20 DBGD COCCOCC(=O)OCC(=O)NNC(=O)c1ccccc1 919224067 GNABNBBFRIZHJA-UHFFFAOYSA-N 310.306 -0.346 50 20 DBGD CN1CCCC[C@H]1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1123665118 VYFOMZRHIHYJDG-WCQYABFASA-N 318.443 -0.148 50 20 DBGD CCCNC(=O)NNC(=O)CCc1nc(O)c2cnn(C)c2n1 1317999972 CXAWTQPRHHVTCX-UHFFFAOYSA-N 321.341 -0.258 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1 1319298721 GSMAOGGRRHFEKQ-AXFHLTTASA-N 314.386 -0.144 50 20 DBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)c1cccn1C 1320230698 IOVRHJNEMILDGB-UHFFFAOYSA-N 318.337 -0.279 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 1320347290 NSIROIJNUHTUHM-UHFFFAOYSA-N 306.278 -0.373 50 20 DBGD O=C(CCCn1cccn1)NNC(=O)C(=O)Nc1ccccn1 1323814687 WWOCYNAAAVDVEP-UHFFFAOYSA-N 316.321 -0.156 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1328135365 SJLOJKBFQISKLU-DBIOUOCHSA-N 312.370 -0.344 50 20 DBGD COC(=O)N1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1 1328699574 HTWKAENCKSSUJA-UHFFFAOYSA-N 310.314 -0.416 50 20 DBGD CCN(CCO)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1330881182 ZHKFDAGHLRIVSS-JTQLQIEISA-N 308.400 -0.686 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)C)cc1-c1nn[nH]n1 1592128208 DHUBADMNZVCSLP-UHFFFAOYSA-N 303.326 -0.502 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1cc2n(n1)CCO2 1593162844 BXNQDWFIYSZNTP-UHFFFAOYSA-N 313.281 -0.393 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNc1ncc(Br)cn1 1604434253 JMRLFIARLYNKNK-RXMQYKEDSA-N 305.088 -0.218 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CC[C@@H](C)O1 1605453320 XLCFXZOJBSIKEP-LHLIQPBNSA-N 319.325 -0.168 50 20 DBGD C[C@H](C(=O)O)C(=O)OCC(=O)NNC(=O)c1cccs1 1609705818 HSKQAROMEOTGKG-ZCFIWIBFSA-N 300.292 -0.227 50 20 DBGD CNC(=O)NNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 110660691 CMUBPJAHDWACIH-CYBMUJFWSA-N 305.382 -0.065 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCO[C@H](C#N)C1 137215282 GLVICZOIWNSHOM-CQSZACIVSA-N 316.361 -0.091 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ncn(-c2ccccc2)n1 186082216 KSKQLPQRAGIJFE-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD COc1ccnc(NNC(=O)N[C@H](C)CN2CCN(C)CC2)n1 264373661 ROXUJXAXIIOSSW-LLVKDONJSA-N 323.401 -0.253 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)CNC(=O)NC)nc1C 272169524 JEEOJZXZXNBRCV-UHFFFAOYSA-N 310.314 -0.666 50 20 DBGD O=C(NCCCN1C(=O)CCC1=O)NNc1ncncc1F 292741435 QQPPFJAZPBPDLN-UHFFFAOYSA-N 310.289 -0.219 50 20 DBGD COC(=O)N(C)NC(=O)CNS(=O)(=O)c1cccc(F)c1 496213284 ONUOSDHBSBQMGK-UHFFFAOYSA-N 319.314 -0.167 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H]2CCCC[C@@H]2N1 584958905 UWBTZTNZFKTVSS-QWHCGFSZSA-N 320.129 -0.611 50 20 DBGD NC(=O)CCC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584969586 NZKTWFKUFILCFX-UHFFFAOYSA-N 304.155 -0.516 50 20 DBGD C[C@H]1OCC[C@]12CN(C(=O)c1ccc(B(O)O)c(F)c1)CCO2 584984989 DXEYSBRMYDSWAF-BMIGLBTASA-N 323.129 -0.475 50 20 DBGD O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(B(O)O)c(F)c1 584987816 VIRKGVJQWAINSB-CHWSQXEVSA-N 320.129 -0.611 50 20 DBGD CC[C@H](NCc1ccc(B(O)O)cc1F)C(=O)N1CCOCC1 585025964 HDLWTHYOXNNDLI-AWEZNQCLSA-N 324.161 -0.768 50 20 DBGD CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccccc2B(O)O)C1 585028814 NLGDNAVAOCUZGQ-STQMWFEESA-N 311.212 -0.188 50 20 DBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 728386670 HJPLYBIQYKAGIJ-CMPLNLGQSA-N 324.358 -0.428 50 20 DBGD CCNC(=O)NNC(=O)Cc1c(C)nc2cc(O)nn2c1C 731435463 DTXPZDNPQZDNLO-UHFFFAOYSA-N 306.326 -0.055 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O 735516702 XFNJAKPJRXEWFL-UHFFFAOYSA-N 306.238 -0.198 50 20 DBGD COc1cc([N+](=O)[O-])ccc1OC(=O)c1cn(CC(N)=O)nn1 742610676 DVBQZNKDFFRRJW-UHFFFAOYSA-N 321.249 -0.101 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](CC(=O)OC)C1 752337041 KWNZRLNDIAKRDN-UWVGGRQHSA-N 301.343 -0.804 50 20 DBGD CCOC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)COC 764302569 NTIXIABKALXACU-UHFFFAOYSA-N 323.305 -0.404 50 20 DBGD Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)CO 764421549 MCBQHLAFMRZDHF-UHFFFAOYSA-N 308.338 -0.865 50 20 DBGD O=C1CC(C(=O)NNC(=O)CSc2ccccc2O)=NN1 765403568 PJAHTCKKNDPFID-UHFFFAOYSA-N 308.319 -0.492 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCCNC(=O)C1 766878666 PMENYZFYUCVEKH-UHFFFAOYSA-N 318.377 -0.493 50 20 DBGD C=CCNC(=O)CNC(=O)NNC(=O)COc1ccccc1O 776960122 IRKAIMXUTDBHSI-UHFFFAOYSA-N 322.321 -0.596 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ccccn1 777471032 AQCBSBRLTWOXMP-LLVKDONJSA-N 305.338 -0.348 50 20 DBGD COc1ccc(NNC(=O)CN(C)CC(=O)NC(C)C)nc1 781534170 UTMFMSHZLFDUSC-UHFFFAOYSA-N 309.370 -0.010 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CC(c2cccnc2)=NO1 790597696 RZIILYFIRKSGAU-GFCCVEGCSA-N 314.305 -0.312 50 20 DBGD CCC[C@@H](CCCS(C)(=O)=O)C(=O)NNC(=O)CN(C)C 790634288 DZPWSGVUKMKQHB-NSHDSACASA-N 321.443 -0.064 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNc1ncccc1F 805151792 YDQAQUIPRSJRRH-UHFFFAOYSA-N 320.346 -0.092 50 20 DBGD COc1ncc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 812225556 IGOFLLZETWOSSM-ZCFIWIBFSA-N 306.369 -0.461 50 20 DBGD CN1CCC(CC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 813434229 MDIOQSYJSFFYDZ-UHFFFAOYSA-N 322.365 -0.111 50 20 DBGD O=C1NC(=O)C(=NNC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1 814222740 UEXDWQLWOLUCES-UHFFFAOYSA-N 319.233 -0.772 50 20 DBGD CCCCNC(=O)NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 823755946 ORUHPTSZNDDYEF-VIFPVBQESA-N 321.403 -0.968 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(C(=O)C2CC2)C1 827259013 GPVGPUSZWWZHFC-KOLCDFICSA-N 310.354 -0.336 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2c(c1)nnn2C 843657121 OYXDSIZQHBVUNH-APPZFPTMSA-N 304.310 -0.451 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ncc(Cl)cn1 857730431 SEZRIGYRSUVJKX-QMMMGPOBSA-N 301.734 -0.294 50 20 DBGD CC(C)(C)OC(=O)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858244743 GMLBILSPGXJTGU-QMMMGPOBSA-N 314.342 -0.673 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCNc2ccccn2)N1 858697006 OJGBIVAUPXOTSA-VIFPVBQESA-N 306.326 -0.898 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNC(=O)NC3CC3)CC2=O)cn1 858778724 TXAROHKSXCXISH-MRVPVSSYSA-N 306.326 -0.734 50 20 DBGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1=O 862452077 SUGDTRAWMQLZQJ-ONGXEEELSA-N 324.381 -0.551 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NN=c1cc[nH]c(C)c1 862513148 PDLZPRYZAUSUCQ-UHFFFAOYSA-N 316.383 -0.789 50 20 DBGD COc1cccc(OC)c1C(=O)NNC(=O)CS(C)(=O)=O 863462438 QARVQSJFTXUYGM-UHFFFAOYSA-N 316.335 -0.491 50 20 DBGD O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 863877930 IVZNOAFPMFCNOC-ZIAGYGMSSA-N 317.150 -0.423 50 20 DBGD Cn1nccc1[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 887584931 RRQLCBGITHAUQW-CQSZACIVSA-N 315.138 -0.686 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(F)cc2nc[nH]c12 918476075 AXGQQUCZQDCTSB-UHFFFAOYSA-N 307.285 -0.012 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1cccc(F)c1 920299562 HGILLPIJKIVJDH-QMMMGPOBSA-N 317.342 -0.547 50 20 DBGD COC(=O)c1nc2nc(C)cc(N3CC[C@@H](B(O)O)C3)n2n1 1118915660 IWTTXNLCGHTIBJ-MRVPVSSYSA-N 305.103 -0.728 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)Cc1ccccc1F 1318365581 ZUDAGYRNTRHDRS-JTQLQIEISA-N 322.296 -0.496 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1cccnc1 1319920654 NNWXLIVXYFVKJF-RNCFNFMXSA-N 320.349 -0.953 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)noc1C1CC1 1320285829 PHUDSYOYUIRUHX-UHFFFAOYSA-N 310.310 -0.017 50 20 DBGD Cn1nncc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1321185797 YCYWTRUKNHATMD-UHFFFAOYSA-N 323.334 -0.707 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1323000610 ZVCMAEMRCRLJAD-AWEZNQCLSA-N 306.322 -0.281 50 20 DBGD O=C(CCC(=O)N1CCC(O)CC1)NNC(=O)c1ccncc1 1324027089 DLVJCFHDCHMGTP-UHFFFAOYSA-N 320.349 -0.394 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)Cc2ccncc2)CCC1 1325525053 IYXDICTWXCTPJH-UHFFFAOYSA-N 311.363 -0.261 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 1326130463 ULSIJOXYFVEORM-UHFFFAOYSA-N 320.227 -0.167 50 20 DBGD COc1nc(Cl)c(C=NNC(=O)CS(C)(=O)=O)n1C 1329557657 RDUCDMVUVKJSLA-UHFFFAOYSA-N 308.747 -0.423 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H](O)c2ccsc2)N1 1329752229 BUMONDPRIMUSIV-DTWKUNHWSA-N 312.351 -0.610 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CC2(N)COC2)c1 1579581539 ZGDXRFOSURCCFH-UHFFFAOYSA-N 307.350 -0.053 50 20 DBGD Cc1cc(NNC(=O)c2ccc(-c3nn[nH]n3)o2)nc(N)n1 1581034501 NCVCPEQATHCUOI-UHFFFAOYSA-N 301.270 -0.103 50 20 DBGD Cn1ccnc(NNC(=O)c2cscc2-c2nn[nH]n2)c1=O 1592582428 MOVWJEOVTPOCBZ-UHFFFAOYSA-N 318.322 -0.221 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1F)c1cc[nH]n1 1593158085 DWYZJZKZVNDSGD-UHFFFAOYSA-N 316.256 -0.196 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NCCOCC(=O)O)c1 1601116696 KCCGWDPOQCAGED-UHFFFAOYSA-N 306.278 -0.397 50 20 DBGD O=C(O)CC1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 1601941386 QRPPJLWLXHLFMY-MQWKRIRWSA-N 303.340 -0.287 50 20 DBGD O=C(O)c1ccccc1CS(=O)(=O)N1CC[C@H](B(O)O)C1 1602469198 JCZKYTDONUAUBW-JTQLQIEISA-N 313.140 -0.237 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)C1(C(=O)O)CCOCC1 1605751210 XXGRNKUBDPUEFY-UHFFFAOYSA-N 313.232 -0.240 50 20 DBGD NC1(CNC(=O)NNC(=O)C(=O)O)C2CC3CC(C2)CC1C3 1608248252 IPMYIILONIVVSY-UHFFFAOYSA-N 310.354 -0.445 50 20 DBGD CC[C@H](C(=O)O)C(=O)NNc1nccc(N2CCOCC2)n1 1609886049 CXYQWZBOAJHNGJ-VIFPVBQESA-N 309.326 -0.133 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(O)c(C(=O)O)c1 1776097196 QWIHYKSOYBMDBC-UHFFFAOYSA-N 300.292 -0.415 50 20 DBGD NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353734 MLLOAMLRPFTYCG-SECBINFHSA-N 317.773 -0.945 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)o1 126048821 HHKGSAIIWCJRCV-QMMMGPOBSA-N 301.324 -0.281 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CCn1ccnn1 264743352 KTGXBDQIKAKIEQ-UHFFFAOYSA-N 319.321 -0.097 50 20 DBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 266852855 SDVNHNBIOIIVKG-NXEZZACHSA-N 313.354 -0.362 50 20 DBGD O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)C(=O)NC1CC1 276709836 XPTBAVZNKGTKLX-LLVKDONJSA-N 317.305 -0.999 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)n1 279744559 BIPCVUVHSDOCLT-CABZTGNLSA-N 320.349 -0.573 50 20 DBGD CC(C)[C@H](O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 291403203 DTTDFFFRWPBEBA-NSHDSACASA-N 314.363 -0.132 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1ccccc1 298521417 USZLHCCTBOLTMZ-UHFFFAOYSA-N 300.336 -0.491 50 20 DBGD C[C@@H](Cn1cccn1)NC(=O)NNC(=O)C(=O)N1CCCC1 299482723 HHKJJERHYCIRPK-JTQLQIEISA-N 308.342 -0.776 50 20 DBGD C[C@@H](N)[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 316649052 QHXNRJQXGSAMQC-YPMHNXCESA-N 306.366 -0.504 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1COCCO1 491878658 RWEZNDFUXOPALC-VIFPVBQESA-N 317.342 -0.536 50 20 DBGD CN(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1CC1 497036047 NDUWPVVGTZYYNX-UHFFFAOYSA-N 300.359 -0.247 50 20 DBGD O=C(NCCC(=O)N1CCCCC1)c1ccc(B(O)O)c(F)c1 584968895 PBYMMTJCBJPKLN-UHFFFAOYSA-N 322.145 -0.362 50 20 DBGD O=C(NCc1cnc2n1CCCC2)c1ccc(B(O)O)c(F)c1 584995909 ZGEXRRGDGKHKAK-UHFFFAOYSA-N 317.129 -0.032 50 20 DBGD C[C@H]1CN(CCCNCc2ccc(B(O)O)cc2)CCCO1 585037858 LYTOPKAHQLTMMX-AWEZNQCLSA-N 306.215 -0.043 50 20 DBGD COCCOCCOCCCCNCc1ccc(B(O)O)o1 585049152 BRJBTCDXEYWRBK-UHFFFAOYSA-N 315.175 -0.491 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)C2(C(N)=O)CC2)c1 731597755 OUIMLBCAUAEXFN-UHFFFAOYSA-N 307.306 -0.270 50 20 DBGD CNC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 742056310 ZVLGKHLORHVBPJ-NSHDSACASA-N 305.338 -0.106 50 20 DBGD O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ncccn1 746093426 RAGCKHCCJVRTAJ-UHFFFAOYSA-N 324.304 -0.409 50 20 DBGD O=C(CO)NNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 753438688 QPJYLGYGVBHNIQ-UHFFFAOYSA-N 323.353 -0.915 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)c1cnn(C)c1 757631813 UABMNLNDWSMTJZ-UHFFFAOYSA-N 304.310 -0.106 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)Cc2cc(C)[nH]n2)nn1 772841875 UWUBJDBCRZRFBF-UHFFFAOYSA-N 319.325 -0.434 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NN(C)C(N)=O)c1 778412028 MHHHDUMHMJGJDP-UHFFFAOYSA-N 300.340 -0.360 50 20 DBGD NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1cnccn1 784064768 HZIYMTSSKUPALL-LLVKDONJSA-N 303.297 -0.053 50 20 DBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)N1CCN(C)CC1 788167115 VETQQJGCOHHWIF-VXGBXAGGSA-N 314.386 -0.441 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN1CCOCC1 807369595 AQXKTDJAZDJJPG-UHFFFAOYSA-N 303.359 -0.745 50 20 DBGD CC1(C)CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](CO)O1 817279092 HWYCJWWHNIGYBL-JTQLQIEISA-N 301.387 -0.348 50 20 DBGD CC(C)NC(=O)NNC(=O)[C@H]1COCCN1CC(F)(F)F 822844618 NQCIGIVXIAMCIB-MRVPVSSYSA-N 312.292 -0.012 50 20 DBGD CC[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)N1CCO[C@H](CC)C1 823152250 OQFWDILQJGDCET-OLZOCXBDSA-N 323.397 -0.011 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ccn1 832674276 CSGWMKSITDQJLS-PSASIEDQSA-N 322.321 -0.399 50 20 DBGD CCN1CCN(CC(=O)NNc2ccc(F)cn2)C(=O)C1=O 874651843 VZGUECHXKKACEL-UHFFFAOYSA-N 309.301 -0.646 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)F)C1CCOCC1 883068061 GQTYECGFSGENPT-JTQLQIEISA-N 321.324 -0.474 50 20 DBGD CCCN(C(=O)c1cc(B(O)O)ccc1F)[C@H](C)C(=O)OC 888606977 YTKSAJBRTGUCDY-SECBINFHSA-N 311.118 -0.081 50 20 DBGD O=C(NCCO[C@H]1CCOC1)NNC(=O)[C@H]1CCCCO1 927521645 DVMGKSPLQODIGY-WDEREUQCSA-N 301.343 -0.309 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC12CCOCC2 1116197438 NSSSFMBDCGXCRV-JTQLQIEISA-N 321.333 -0.027 50 20 DBGD COc1ncc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cn1 1251850530 MPLQICPMBITRTI-JTQLQIEISA-N 314.367 -0.409 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1OCC#N 1317988620 RCUCXGMFGQVAQH-UHFFFAOYSA-N 304.306 -0.125 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)Sc1nncn1CCOC 1318566521 MEXBCGLJRPRZIR-QMMMGPOBSA-N 301.372 -0.038 50 20 DBGD CCn1nc(C(=O)NNC(=O)Cc2ccncc2)ccc1=O 1322267594 QUOAUUSINGHMOQ-UHFFFAOYSA-N 301.306 -0.338 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNC(=O)Cc1cn2ccccc2n1 1322303710 HRFVKYCCLIDMAR-GFCCVEGCSA-N 318.333 -0.170 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNc2ncncc2F)ccn1 1324358522 BPBQRKBWJCADLY-UHFFFAOYSA-N 312.286 -0.585 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1nn(C)c2c1CCCC2 1331151853 HVPUKRWUEGPDIB-UHFFFAOYSA-N 307.354 -0.416 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CNC[C@@H]12 1575106900 XQLJSGMMMWTFRS-UTLUCORTSA-N 317.411 -0.797 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H](F)[C@@H]1CCNC1 1580576724 WLBDNPQJONEAMI-YGRLFVJLSA-N 319.340 -0.028 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)NNC(=O)C(=O)O 1589992759 ZXBKCBWPZRONJS-ZETCQYMHSA-N 316.314 -0.589 50 20 DBGD O=C(NCc1ccc(-c2nn[nH]n2)cn1)NNC(=O)C1CCC1 1593134798 BPDDFLWNCMDRFO-UHFFFAOYSA-N 316.325 -0.108 50 20 DBGD C[C@H](NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O)C(F)(F)F 1593318791 KDMMETCYYWEDJC-NKWVEPMBSA-N 311.260 -0.119 50 20 DBGD O=C(O)Cn1cc(C(=O)NNC(=O)Cc2ccccc2F)nn1 1606331810 YEHXAWIBIABLII-UHFFFAOYSA-N 321.268 -0.495 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1ccccc1O 49088709 OYUVFLWTBJCUHL-UHFFFAOYSA-N 301.324 -0.908 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)C(=O)NC(C)C 263956846 PZAWPJBVZVYMQJ-UHFFFAOYSA-N 321.399 -0.737 50 20 DBGD CCOC(=O)NCCC(=O)NNC(=O)C(=O)NC(CC)CC 265895206 RUCMFHDBCIKWFZ-UHFFFAOYSA-N 316.358 -0.425 50 20 DBGD Cc1c(F)cccc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 266462210 QBTIHPCFTZBTQR-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 266800233 GVTOVVHQQCGXAH-DTWKUNHWSA-N 311.338 -0.608 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)CCCCCl 276235989 OHULZLAZEOKUAD-UHFFFAOYSA-N 301.752 -0.688 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)Nc1ccccc1 283797886 VEFPAWZZTJNUCI-UHFFFAOYSA-N 300.340 -0.221 50 20 DBGD CCOC1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 286631457 JSQVRMNNMGWZFG-UHFFFAOYSA-N 309.322 -0.028 50 20 DBGD Cc1nn(CCO)c(C)c1C(=O)Nc1cccc(B(O)O)c1 584913133 PBUSGJREDGNXDZ-UHFFFAOYSA-N 303.127 -0.576 50 20 DBGD C[C@H]1CN(CCN(C)C(=O)c2cccc(B(O)O)c2)C[C@@H](C)O1 584983035 LZFPEZKFZOGXEV-BETUJISGSA-N 320.198 -0.452 50 20 DBGD O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cccc(B(O)O)c1 584997357 AUOWQIGDNYYPOB-QWHCGFSZSA-N 302.139 -0.750 50 20 DBGD Cn1cncc1[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)CCO1 585037499 ZUFDEWWAZWOKNK-MFKMUULPSA-N 305.143 -0.297 50 20 DBGD C[C@@]1(CO)CN(S(=O)(=O)CBr)C[C@]1(C)CO 704559224 NIEXIUXYYBKOEH-DTORHVGOSA-N 316.217 -0.019 50 20 DBGD Cn1nc(C(=O)NNC(=O)COCc2ccccc2)ccc1=O 737636776 FOZNTUKIJKUTAH-UHFFFAOYSA-N 316.317 -0.242 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744385234 ULLKRZOSPDAKCO-UHFFFAOYSA-N 315.377 -0.043 50 20 DBGD C#CCOCCC(=O)NNC(=O)CNC(=O)c1cccs1 755833584 OUOISHLLMUENEN-UHFFFAOYSA-N 309.347 -0.335 50 20 DBGD Cc1noc(C)c1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 756287221 PRPXDKFTEAZNLU-QMMMGPOBSA-N 316.339 -0.121 50 20 DBGD CCOC[C@@H](C(=O)OC)N(C)CC(=O)NNC(=O)C1CC1 764346539 UQULPBGCMBCOMV-JTQLQIEISA-N 301.343 -0.946 50 20 DBGD NC(=O)N1CCCN(CC(=O)NNC(=O)c2ccccc2)CC1 772723156 QGDGCYFPDFUWRY-UHFFFAOYSA-N 319.365 -0.466 50 20 DBGD Cc1ncc(C(=O)NNC(=O)CNC(=O)c2ccco2)c(C)n1 776873069 MGCWMWJMHLGXBQ-UHFFFAOYSA-N 317.305 -0.123 50 20 DBGD Cn1cc(C=NNC(=O)c2ccc(N)cc2)c(=O)n(C)c1=O 807184831 XFFRFNZTAKAGDJ-UHFFFAOYSA-N 301.306 -0.570 50 20 DBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)c2cc[nH]n2)cn1 821450550 SLDWWRVUSYLOCM-UHFFFAOYSA-N 320.313 -0.839 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 832693668 WTZTXJDMZCPHNF-RKDXNWHRSA-N 322.321 -0.399 50 20 DBGD CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(C)C(N)=O 845907159 PHKQYWUHZAGPPM-SECBINFHSA-N 317.390 -0.127 50 20 DBGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CC(=O)NC(=O)N1 854456921 AGCZCFNBHZAHOU-VIFPVBQESA-N 307.266 -0.056 50 20 DBGD Cc1cc(F)ccc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863413391 HHFRDVPDODMLOP-SECBINFHSA-N 315.326 -0.278 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 869910741 XKTDEKAJVODKIY-LBPRGKRZSA-N 312.297 -0.060 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 900997343 AQSPXPDPOKXRTH-SNVBAGLBSA-N 302.290 -0.637 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCc2nccn2C1 913731118 UUFGGZMMBFBBCR-JTQLQIEISA-N 305.338 -0.785 50 20 DBGD CNC(=O)NNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 919877703 MVCCURPZAOJYNC-UHFFFAOYSA-N 307.335 -0.204 50 20 DBGD COC1(CNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCOCC1 1118185547 GEFAFXWOXWVOQC-MNOVXSKESA-N 315.370 -0.063 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1251260789 KUWURQJUHOEPJY-UHFFFAOYSA-N 323.353 -0.798 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H](O)c1cccnc1 1322049741 SEZYFKVRKIRDJS-GFCCVEGCSA-N 318.289 -0.715 50 20 DBGD CN1N=C(C(=O)NNc2ccc(-n3ccnc3)nn2)CCC1=O 1322797861 MJWSAIOSENRJGI-UHFFFAOYSA-N 314.309 -0.286 50 20 DBGD Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)n(C)n1 1323443926 YZKLNYLUUUXQLQ-SNVBAGLBSA-N 300.384 -0.166 50 20 DBGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)c1cnn(C)c1 1328685139 GZOKQQHOZRMYBE-VIFPVBQESA-N 308.342 -0.625 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 1328780344 MVEKLAYPJWNRPI-UHFFFAOYSA-N 309.326 -0.422 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cnc(N(C)C)n1C 1329244543 MQJRWZVONGLULU-ONGXEEELSA-N 324.385 -0.259 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 1329628221 KZEFKYYHGOXRAW-OPRDCNLKSA-N 312.347 -0.035 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNc1ncccc1C(=O)O 1573547136 IRTXKAPLRSMKJT-UHFFFAOYSA-N 323.353 -0.321 50 20 DBGD Cn1cc(C(=O)NNC(=O)/C=C\[C@@H]2CCCNC2)ccc1=O 1579953383 WRLGKIAQTNQMOU-QZPNVGJNSA-N 304.350 -0.298 50 20 DBGD COC(=O)C(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1591225873 CQLFCMWUOUDRMD-UHFFFAOYSA-N 305.254 -0.808 50 20 DBGD Cn1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1N 1592599704 WONNOOIIGZWYMY-UHFFFAOYSA-N 300.286 -0.666 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2ccc(C(=O)O)cn2)C1=O 1598558854 MFQHONDZGOEHJZ-UHFFFAOYSA-N 307.266 -0.883 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccc(F)cc1 63090809 RAMBIZIAEIQHDK-QMMMGPOBSA-N 317.342 -0.547 50 20 DBGD COCCCOCC(=O)NNC(=O)COc1ccccc1O 271757419 CZICEICLVPMWSX-UHFFFAOYSA-N 312.322 -0.029 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)N2CCC(C)CC2)n1 274529429 BBJWDCYJUYFDDB-UHFFFAOYSA-N 321.381 -0.094 50 20 DBGD COCc1ncsc1C(=O)NNC(=O)N1CCN(C)CC1 288075657 USRITOLGJWNQTE-UHFFFAOYSA-N 313.383 -0.109 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)/C(C#N)=C\c1ccc(O)cc1 491127605 BMKAOSYZQOVNGR-XFFZJAGNSA-N 316.317 -0.029 50 20 DBGD NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584938175 JKZDNJXNFVLNCR-JTQLQIEISA-N 323.133 -0.832 50 20 DBGD CCNC(=O)C(C)(C)CNC(=O)c1cc(B(O)O)ccc1F 584963999 BETXPMXJPQYVQN-UHFFFAOYSA-N 310.134 -0.602 50 20 DBGD COCCN1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 585000885 PHXOJRWYJPCNHX-CQSZACIVSA-N 306.171 -0.793 50 20 DBGD CCN1CCN([C@H](C)CNCc2ccc(B(O)O)cc2F)CC1 585016021 QPIHTJLAESBHCD-CYBMUJFWSA-N 323.221 -0.379 50 20 DBGD CS(=O)(=O)C1(c2nc(-c3ccc(B(O)O)cc3)no2)CCC1 585053086 AYLJGUPTDOMUAA-UHFFFAOYSA-N 322.151 -0.160 50 20 DBGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCB(O)O 585055559 DZYSNXDCGZRPFP-NSHDSACASA-N 307.094 -0.967 50 20 DBGD CCCNC(=O)CCCC(=O)NNC(=O)C(=O)NC(C)C 732751520 SAKWBGNJRUYXOT-UHFFFAOYSA-N 300.359 -0.645 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CCC(=O)N2)nc2ccccc2c1=O 733262004 NAPVBSFQYGWUQV-JTQLQIEISA-N 301.306 -0.345 50 20 DBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cnccn2)C1 739671515 USJIXYCCNJFXMR-AOOOYVTPSA-N 313.383 -0.066 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)NC(C)C)C1 745136283 VULIMZJROVCUNZ-JTQLQIEISA-N 320.415 -0.213 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC(C)=O)C(C)C 771860486 IQQFLHBEAOIAAV-KWQFWETISA-N 301.343 -0.364 50 20 DBGD CCCNC(=O)CCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 772112390 YVBFHAJTAFJQNK-VIFPVBQESA-N 301.343 -0.218 50 20 DBGD Cn1nncc1C(=O)OCC(=O)NNC(=O)c1ccccc1 798796266 CHZCPCBKMSDIKO-UHFFFAOYSA-N 303.278 -0.567 50 20 DBGD O=C(COC(=O)[C@H]1CCCC(=O)N1)NNC(=O)c1ccccc1 800246251 SMNSLPZQBTZCCY-LLVKDONJSA-N 319.317 -0.341 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801109158 GTGFXMPBOKKNKR-JTQLQIEISA-N 320.349 -0.004 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843646383 PYVVEAGYMKYGLM-CIUDSAMLSA-N 313.383 -0.132 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2n(c1=O)CCS2 843975693 OEJSRSVXUADWRT-SFYZADRCSA-N 324.362 -0.465 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c1O 857012831 VSGPNUXQGSAVEN-HTQZYQBOSA-N 307.306 -0.327 50 20 DBGD C[C@@H](NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(F)(F)F 862320003 CWSFXEYSMLTEBJ-RQJHMYQMSA-N 318.321 -0.527 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCc2ccccc21 862453263 JXZNXYXGMJZTIE-CMPLNLGQSA-N 316.361 -0.136 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 899993305 WPXVCCUGBGDEGT-MRVPVSSYSA-N 322.456 -0.296 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2c3c(nn2C)CCC3)CC1 908053976 CKTDDUZTUFKPHV-UHFFFAOYSA-N 306.370 -0.489 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C)CO[C@@H]1CCOC1 1118122652 BVEPJQBGSJNVNL-WRWGMCAJSA-N 315.370 -0.064 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1118126967 XNMLZEXWTJJJHL-WHOHXGKFSA-N 315.370 -0.064 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326005421 JXLKZJGFZFZYGM-AEJSXWLSSA-N 321.399 -0.435 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1snnc1C1CC1 1329208077 MMEJGCHNKGGRAT-UHFFFAOYSA-N 304.353 -0.779 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC1(O)CCOCC1 1329254901 VVMUHSDALGYWCU-WDEREUQCSA-N 315.370 -0.327 50 20 DBGD COC(=O)N1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 1329702017 ZHMHIKRMWVFOOK-UHFFFAOYSA-N 306.127 -0.719 50 20 DBGD CCCn1nccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1330709442 KVVZSBKVPKDQPB-SECBINFHSA-N 314.367 -0.511 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)c1ccncc1 1337962054 XPADOOVAXWPIRP-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD CC(C)c1nccnc1NNC(=O)c1cnn(C[C@@H](O)CO)c1 1350992608 OIJXAQPVCURDQA-LLVKDONJSA-N 320.353 -0.093 50 20 DBGD COc1nsc(OC)c1C(=O)NNC(=O)[C@H]1CCCNC1 1579329156 BLBIVCXMZAZKHR-ZETCQYMHSA-N 314.367 -0.079 50 20 DBGD C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(=O)N(C)C 1589935684 ZUYAKCCXZAPMMI-QMMMGPOBSA-N 318.341 -0.031 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1cccc(C(=O)O)c1 1601384493 RXUHTOOHMYFZTQ-UHFFFAOYSA-N 304.262 -0.210 50 20 DBGD CC(C)(CCl)CS(=O)(=O)NCC(=O)NCC(=O)O 1603613035 RYUXAFIWWQHPJJ-UHFFFAOYSA-N 300.764 -0.628 50 20 DBGD CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1795759726 SYJWFJSSIFTYKS-QDMKHBRRSA-N 316.166 -0.362 50 20 DBGD NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl 1796808464 FOLWPNWMXFGPOT-SVSWQMSJSA-N 306.769 -0.555 50 20 DBGD CS(=O)(=O)CCNC(=O)NNC(=O)Cc1ccc(F)cc1 58242128 DCXCQFXPSSTXMB-UHFFFAOYSA-N 317.342 -0.257 50 20 DBGD O=C(CCNC(=O)c1ccsc1)NNC(=O)Cc1cc[nH]n1 106416846 RNTQVCMWALZFOU-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD COCCN(CC(=O)N(C)C)S(=O)(=O)CBr 127168286 MIANMRWINQCCAK-UHFFFAOYSA-N 317.205 -0.295 50 20 DBGD Cc1ccc(NNC(=O)NCCC(=O)N2CCN(C)CC2)nn1 264346676 DMNZHBAUCUGTHK-UHFFFAOYSA-N 321.385 -0.425 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cn1 265559977 LQZBWWSCVONNMD-UHFFFAOYSA-N 307.354 -0.122 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2ccc(C)o2)C(=O)C1=O 267870496 UKMLEVWMKVEFFC-UHFFFAOYSA-N 322.321 -0.960 50 20 DBGD COC(=O)c1cccc(CC(=O)NNC(=O)C(=O)NC2CC2)c1 270247010 SUUAPUZTDMBXRY-UHFFFAOYSA-N 319.317 -0.558 50 20 DBGD O=C(CCn1cc(Cl)cn1)NNC(=O)N1CCOCC1 299401254 VWYGLBIMSJKWRK-UHFFFAOYSA-N 301.734 0.000 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CN2CCCN1CC2 371221332 WGPPXKYWRWRDHX-CYBMUJFWSA-N 303.366 -0.839 50 20 DBGD CNC(=O)NNC(=O)CN(CCOC)C(=O)OC(C)(C)C 491366895 MYZFIOPITHATMW-UHFFFAOYSA-N 304.347 -0.170 50 20 DBGD O=S(=O)(NCB(O)O)c1ccc(Br)nc1F 585057094 KTMRICWTXLLNHE-UHFFFAOYSA-N 312.913 -0.727 50 20 DBGD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058377 YVNJPRWXIYCQBY-SSDOTTSWSA-N 318.091 -0.029 50 20 DBGD Cn1nnc2cc(C=NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc21 737427152 IRHGFPUBKZFPNY-SNVBAGLBSA-N 321.362 -0.147 50 20 DBGD C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 744403298 OVFNKYAPVZPWFK-NXEZZACHSA-N 321.443 -0.067 50 20 DBGD NC(=O)c1nccnc1C(=O)NNC(=O)c1ccccc1F 746013727 MQZNDQHMJQTHBH-UHFFFAOYSA-N 303.253 -0.211 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CCC(=O)N1C 753399302 IPUUGRUFXQIBBI-NSHDSACASA-N 320.349 -0.125 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1C[C@]12CCOC2 763765117 WBAVSHZNIHLUJF-NHYWBVRUSA-N 318.333 -0.615 50 20 DBGD O=C(O)Cn1cc(C=NNC(=O)CNc2ccccc2)nn1 768477014 SPXMGOVKAMRHPG-UHFFFAOYSA-N 302.294 -0.075 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCN(C)C2=O)c1 771865601 BKVMGJNOKVUHFP-GFCCVEGCSA-N 305.334 0.000 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1=O 773247708 VHSLIZWCMKGTJJ-NSHDSACASA-N 315.333 -0.498 50 20 DBGD COC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCCCC1 776188886 RIRQFAYEOWSPBF-UHFFFAOYSA-N 312.370 -0.055 50 20 DBGD CN1CCN(C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C)CC1 788169258 LPEMESCVTCHWBO-UHFFFAOYSA-N 320.415 -0.812 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNc1ncncc1F 817076952 BBEQXCGCEMHZOV-UHFFFAOYSA-N 303.319 -0.516 50 20 DBGD O=C(O)CSCC(=O)NNC(=O)Cc1cn2ccccc2n1 819539723 MIFKCPQLJQQPEY-UHFFFAOYSA-N 322.346 -0.158 50 20 DBGD COc1ccnc(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 821903485 HAWRVQKTSTXMTR-UHFFFAOYSA-N 301.270 -0.250 50 20 DBGD N#CC(C#N)=CNNC(=O)COc1ccc(-c2nn[nH]n2)cc1 822796104 MBQSTRBHORINFE-UHFFFAOYSA-N 310.277 -0.203 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)C(=O)Nc1cccnc1F 832451830 DSNPKTOGOZHHGR-SECBINFHSA-N 310.285 -0.124 50 20 DBGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C12CCC2 838770658 YEXRBFKTLZQATL-GHMZBOCLSA-N 324.381 -0.103 50 20 DBGD Cn1c(NNC(=O)[C@H]2CCO[C@@H]2CN)nc2ccccc2c1=O 852803652 ODTAHFGXJXRSJG-CMPLNLGQSA-N 317.349 -0.260 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C1(NC(N)=O)CC1 854283054 FWORMPCEIVAYMH-UHFFFAOYSA-N 303.388 -0.939 50 20 DBGD C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 857855538 ZXSDQYNOQDGVDV-ONGXEEELSA-N 319.365 -0.155 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC(c3ccccc3)=NO2)N1 862451549 DLYWZIAZLCXXBT-CMPLNLGQSA-N 316.317 -0.394 50 20 DBGD C[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453203 TVFMZBRMVYMNII-KOLCDFICSA-N 324.381 -0.503 50 20 DBGD O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)[C@@H]1CCC(=O)N1 862458105 XLLRMZULJPIUMC-QWRGUYRKSA-N 309.297 -0.325 50 20 DBGD Cc1nc2c(C(=O)NNC(=O)[C@H]3CCC(=O)N3)ccnc2[nH]1 862459675 WXKDCZCRZYCGFQ-MRVPVSSYSA-N 302.294 -0.694 50 20 DBGD Cn1c(NNC(=O)CN2CCNCC2)nc2ccccc2c1=O 876563038 WUDMEFYQDXCYBN-UHFFFAOYSA-N 316.365 -0.718 50 20 DBGD COCC1(S(=O)(=O)NNC(=O)c2cccc(F)n2)CC1 882765981 QMMWJKFZCMGADF-UHFFFAOYSA-N 303.315 -0.036 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)nc(O)n2C 1317975365 UXQAWHNRWLOASZ-UHFFFAOYSA-N 319.321 -0.436 50 20 DBGD C[C@@H](C(=O)NNc1ccccc1S(C)(=O)=O)S(C)(=O)=O 1319198200 BABDSOCQTIHXEJ-QMMMGPOBSA-N 320.392 -0.034 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)n1 1321080353 COHNCFHRHNXARS-UHFFFAOYSA-N 300.282 -0.774 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)n1cncn1 1323269813 OOUGBRHZHPQZMK-QMMMGPOBSA-N 306.282 -0.991 50 20 DBGD C[C@@]1(NNC(=O)C(=O)Nc2ccsc2)CCS(=O)(=O)C1 1324337201 YTGMYTLUJWOBAB-LLVKDONJSA-N 317.392 -0.115 50 20 DBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNc2cnnn2C)c1 1324568795 ONVMVUFPPQQDQK-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD COC(=O)C(C)(C)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1325964378 LITLUDXNEZDKOA-DTWKUNHWSA-N 301.343 -0.059 50 20 DBGD O=C(CCc1nc2cccnc2[nH]1)NNC(=O)[C@H]1CCC(=O)N1 1329172958 QKXVBPISGAOZLG-SECBINFHSA-N 316.321 -0.684 50 20 DBGD O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cn[nH]c3)CC[C@@H]2N1 1329193948 SGWVKUBLNUHRDP-WPRPVWTQSA-N 306.326 -0.635 50 20 DBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1332549149 PTCYWIYTFRBISN-SSDOTTSWSA-N 300.296 -0.132 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2 1344074154 BQJYQGZFEOQJAU-UHFFFAOYSA-N 312.351 -0.510 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@](C)(C#N)CC(=O)O 1573909160 ZHMNZOYKSGCPRH-LBPRGKRZSA-N 315.326 -0.072 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)[C@H](C)N 1575416415 YDIWPINPZQYPFC-GXFFZTMASA-N 321.381 -0.422 50 20 DBGD NC1(CC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)COC1 1580143693 AERVPUGOUTYGKS-UHFFFAOYSA-N 315.333 -0.045 50 20 DBGD NCCCC(=O)NNC(=O)C1CCC(N2CCOCC2)CC1 1580288859 CDHCTIOEFCCYBU-UHFFFAOYSA-N 312.414 -0.236 50 20 DBGD Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1600236133 NRZRLOQEZHVMKZ-UHFFFAOYSA-N 308.294 -0.768 50 20 DBGD CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605152939 YZSGEDTZMVNZHL-NXEZZACHSA-N 302.294 -0.337 50 20 DBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1 121191916 OABLIXCWTGJLHM-VIFPVBQESA-N 301.372 -0.583 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(CC#N)cc1 273457915 HEJFOIHRDAQBQZ-VIFPVBQESA-N 324.362 -0.549 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccccc1CN1CCOCC1 277358218 WDMDKQZNVUSHNB-UHFFFAOYSA-N 320.393 -0.159 50 20 DBGD COC[C@@H](CO)NC(=O)NNC(=O)COCc1ccccc1 280972908 TWGDBYJCIPTLOT-GFCCVEGCSA-N 311.338 -0.459 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H]2CCCC(=O)N2)n1 288812683 BSZHTNFXQJKMLF-NSHDSACASA-N 307.354 -0.294 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1ccccc1C 298518475 SKDQVKDEJDJOPW-UHFFFAOYSA-N 314.363 -0.183 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 496244355 IIQHFEVBEMPQTK-WRWORJQWSA-N 321.289 -0.284 50 20 DBGD Cc1nnc2n1CCC[C@@H]2NC(=O)c1ccc(B(O)O)cc1 584960393 KFBOGMXUCJNFMP-LBPRGKRZSA-N 300.127 -0.469 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584965151 OKNDHYCWJJPYFY-MFKMUULPSA-N 322.145 -0.460 50 20 DBGD O=C1CC[C@H](NCc2ccc(B(O)O)cc2F)[C@@H](C2CC2)N1 585040768 AUTPKCLBCVVXMP-DZGCQCFKSA-N 306.146 -0.348 50 20 DBGD CCCS(=O)(=O)Nc1ccccc1C(=O)NCB(O)O 585055887 LATSDIAOBWPVGG-UHFFFAOYSA-N 300.145 -0.420 50 20 DBGD C=CCOCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 729299926 JWLLRKDGDCILQD-UHFFFAOYSA-N 316.317 -0.103 50 20 DBGD C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)NNC(=O)C1CC1 733311420 UFEJJGJIUNJSSD-RKDXNWHRSA-N 305.400 -0.703 50 20 DBGD CN(C)C(=O)NNC(=O)Cn1nc(-c2ccccc2)oc1=O 746003803 SUILSORYIKZNQV-UHFFFAOYSA-N 305.294 -0.194 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)COCc1ccccc1 806897251 PEVIDXZQQZOKAO-LBPRGKRZSA-N 305.334 -0.029 50 20 DBGD COC(=O)N(C)CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 822796888 ACDLALJXYMTMTN-LLVKDONJSA-N 322.387 -0.934 50 20 DBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1 824166630 LZGILJIGDIGBRQ-CZMCAQCFSA-N 307.310 -0.209 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C1CCC1 825732459 VUNZWBHARZBVHR-QMMMGPOBSA-N 305.400 -0.102 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825929701 KVLLBTGZXJNXNL-IUCAKERBSA-N 307.372 -0.824 50 20 DBGD COC(=O)CCN(CC(OC)OC)S(=O)(=O)CCl 831111041 TYKMEQFJHLFKLD-UHFFFAOYSA-N 303.764 -0.004 50 20 DBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)c1ncccn1 841446368 RCRMEBQWRBPMGO-UHFFFAOYSA-N 305.338 -0.066 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2[nH]c(O)nc2c1 843970244 CNJDPBBWBKAQKG-SVRRBLITSA-N 305.294 -0.151 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCCC[C@H]1S(C)(=O)=O 863189911 XFEVPKIVVLOADF-SECBINFHSA-N 310.397 -0.510 50 20 DBGD C[C@H](N)CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 863568592 LVJXTFGEPKQNTR-VIFPVBQESA-N 309.326 -0.365 50 20 DBGD COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1ccc(B(O)O)cc1 863879159 VLSFPDAEOZRAQZ-CHWSQXEVSA-N 321.138 -0.841 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2CCNC(=O)C2)c1 907262709 BZLHLLYVCGFCNF-UHFFFAOYSA-N 306.322 -0.652 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccc(Cl)nc1 918718191 BEDUIYOIWPUXFQ-UHFFFAOYSA-N 315.786 -0.068 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 1253618436 AJQPAHKAPMVSIE-IVZWLZJFSA-N 311.338 -0.163 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1ncnc2ccsc12)C(N)=O 1319302151 CDXNXMLOOGVUAS-QMMMGPOBSA-N 322.350 -0.486 50 20 DBGD CCNC(=O)N(C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1320570845 WQGLXKKQAQDFLT-VAWYXSNFSA-N 309.326 -0.405 50 20 DBGD COCC(=O)NNC(=O)C(=O)N1CCc2ccc(C#N)cc21 1321151942 LKCYWGYPGGNWKA-UHFFFAOYSA-N 302.290 -0.759 50 20 DBGD NC(=O)c1ccccc1CCC(=O)NNC(=O)Cc1cc[nH]n1 1321180447 WRJWDJBOAIOSPZ-UHFFFAOYSA-N 315.333 -0.169 50 20 DBGD CC(=NN(C)C(N)=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 1324258952 VZVRXGLGEWYQAX-UHFFFAOYSA-N 312.351 -0.320 50 20 DBGD COc1cncc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)n1 1324544135 LSOJOTVEEZMHSM-SECBINFHSA-N 314.367 -0.409 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@H](C)NC(N)=O)cn1 1330288095 LDXMJHIHLCGAPQ-LURJTMIESA-N 312.355 -0.535 50 20 DBGD CCn1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1333323063 SLACHWCAAOUZMC-RKDXNWHRSA-N 309.326 -0.586 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2nn(C)c(=O)cc2C1 1334727607 IFQBWRXZDSTQGC-SECBINFHSA-N 307.354 -0.916 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)c1cccc(Cl)n1 1601381735 FBWGEUNHQDSHKZ-UHFFFAOYSA-N 324.684 -0.514 50 20 DBGD COC(=O)Nc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1606500138 LFIBFABAEXJSOV-UHFFFAOYSA-N 310.266 -0.220 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1609073805 PHBSVWPFDNXUCR-UHFFFAOYSA-N 317.313 -0.872 50 20 DBGD CN(C)CC(=O)NN=Cc1cn(C2CCOCC2)nc1C(=O)O 1776042061 GWVOXSHWVFGUAR-UHFFFAOYSA-N 323.353 -0.056 50 20 DBGD Cn1c(=O)n(CC(=O)NNC(=O)NC2CC2)c2ccccc21 64428283 ZQWVPFFTXJUKCA-UHFFFAOYSA-N 303.322 -0.167 50 20 DBGD COCCCNC(=O)NNC(=O)c1cccc(-n2cnnn2)c1 65207883 MDDQHVHXUKOYKH-UHFFFAOYSA-N 319.325 -0.357 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1 172160624 RCNRYMXHOAWBGK-VIFPVBQESA-N 310.320 -0.030 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)c(C)o1 269933444 DOCYMVVSJLPKIZ-UHFFFAOYSA-N 305.312 -0.161 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)NC2CC2)n1N 291495322 LZWAHYWBKWBDRN-UHFFFAOYSA-N 313.387 -0.471 50 20 DBGD O=C(CCn1ccnn1)NNC(=O)[C@@H]1COc2ccccc2O1 298182432 DXFNHUAQOHLMMM-LBPRGKRZSA-N 317.305 -0.344 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)n1 299535738 LTYIPXMNJIEPAT-SSDOTTSWSA-N 317.754 -0.069 50 20 DBGD CNC(=O)NCC(=O)NNc1nnc(-c2ccccn2)s1 365024778 BQDZEGJMCUALID-UHFFFAOYSA-N 307.339 -0.028 50 20 DBGD CN1CCC(n2ccc(=NC(=O)NN=c3cncc[nH]3)[nH]2)CC1 369681154 IOEHTOSBVCRVOC-UHFFFAOYSA-N 316.369 -0.068 50 20 DBGD CCOC(=O)NCC(=O)NNc1ccccc1S(N)(=O)=O 496523463 AJUOPJPUZUYNRQ-UHFFFAOYSA-N 316.339 -0.477 50 20 DBGD CC[C@H](C)NC(=O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584932902 AKLLWMKCYKREHJ-VIFPVBQESA-N 310.134 -0.460 50 20 DBGD O=C(CCn1cccn1)NNC(=O)CNC(=O)c1cccs1 725741622 RBZHCARJTMHKGU-UHFFFAOYSA-N 321.362 -0.088 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 733215413 QBTNWPDZUWJWRA-KOLCDFICSA-N 324.358 -0.255 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN(C2CC2)C1 734285482 NXDRPGRZBDVHJU-SNVBAGLBSA-N 309.370 -0.824 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)COc1ccccc1O 735104226 MILKKSKLUCQYAP-OAQYLSRUSA-N 315.351 -0.520 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=S)N[C@@H](C)C1CC1 751621034 ONMCABQHPBALIP-SFYZADRCSA-N 307.441 -0.039 50 20 DBGD CCc1ccc(NC(=O)NNC(=O)CO)cc1S(N)(=O)=O 756523252 CRLOONCDDSOZHW-UHFFFAOYSA-N 316.339 -0.959 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2cccc(-n3ccnn3)c2)nn1 756782343 NXEBQYFHPIZGNJ-UHFFFAOYSA-N 324.304 -0.087 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc(-c2nc[nH]n2)c1 767205944 XIKMXWKWHRURSI-UHFFFAOYSA-N 316.321 -0.243 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 771604525 SVNWGPOUWBGXAC-SNVBAGLBSA-N 306.278 -0.023 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCNC(=O)N(C)C 777717341 VJNJOEFZIJAQKF-LLVKDONJSA-N 315.418 -0.229 50 20 DBGD CN1CCc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc21 778320114 XHYPVOOVFBLVKK-UHFFFAOYSA-N 302.334 -0.282 50 20 DBGD O=C(COC(=O)CCn1ccnn1)NNC(=O)c1cccs1 787627517 DXYWNCBFVNRPFT-UHFFFAOYSA-N 323.334 -0.266 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)cc1C 793379512 DRTPOCJJPGHKFT-UHFFFAOYSA-N 305.287 -0.045 50 20 DBGD O=C(CN1CCCNC1=O)NNc1ccc(-n2ccnc2)nn1 804953095 BBTTWQDLIPGKGF-UHFFFAOYSA-N 316.325 -0.479 50 20 DBGD CN(C)c1cc(C#N)cc(C(=O)NNC(=O)C(=O)NC2CC2)c1 814379295 MYELGQOKOQXKSI-UHFFFAOYSA-N 315.333 -0.336 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCN(C)CC1 814835462 RETGWMANUFMMNK-SNVBAGLBSA-N 304.416 -0.242 50 20 DBGD CN(NC(=O)COc1nsnc1N1CCOCC1)C1CC1 823790063 STVDKNRHCARVAV-UHFFFAOYSA-N 313.383 -0.121 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 823952862 UYCFQVPMDRINFH-MFKMUULPSA-N 319.361 -0.151 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)NCC(F)F 827274789 QSFNXZZYOAHOJD-BQBZGAKWSA-N 308.285 -0.877 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCS(=O)(=O)C2)n[nH]1 845903859 UKBXTSFAICFERN-MRVPVSSYSA-N 300.340 -0.696 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCN1CCOCC1 854281117 PZBPVTGIAHFMKO-UHFFFAOYSA-N 318.443 -0.417 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855828619 GUNPNIZWZPHFHF-SECBINFHSA-N 314.386 -0.399 50 20 DBGD CN(NC(=O)c1nc(C2CC2)nn1C)C(=O)N1CCNCC1 857766636 SRSMPZDRALQWNP-UHFFFAOYSA-N 307.358 -0.706 50 20 DBGD CCc1cnccc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858695610 GUBHYEDZACENOQ-NSHDSACASA-N 305.338 -0.247 50 20 DBGD CC(C)C[C@H]1COCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858696642 MLWHRJCISGHCDD-WDEREUQCSA-N 312.370 -0.247 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)COCCOC 865244409 PECINRFKUOMULN-LLVKDONJSA-N 318.443 -0.371 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)/C=C2/SCC(=O)N2C)n1 873803334 BZDAHRWAILTAKS-WLRTZDKTSA-N 323.378 -0.306 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CSCC2=O)cc1O 882046535 IZKLODKTUTXLEK-UHFFFAOYSA-N 309.347 -0.005 50 20 DBGD O=C(NNC(=O)c1cnns1)c1ccc(-n2cnnn2)cc1 918204941 VPQDQARHZOVNPE-UHFFFAOYSA-N 316.306 -0.411 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2nc[nH]n2)C[C@H](C)O1 1116242680 YXQNMKIQOPJSQY-QWRGUYRKSA-N 324.385 -0.616 50 20 DBGD COCCn1cc(C(=O)NNC(=S)N[C@H](C)C2CC2)nn1 1261746534 MHGKXDHGNFOTIL-MRVPVSSYSA-N 312.399 -0.168 50 20 DBGD CC(C)CC(=O)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1318781879 KQEDYKIWDSOOKC-UHFFFAOYSA-N 310.354 -0.052 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1cnc2ccccc2n1 1322129011 AVUUOPRPJSUPMW-UHFFFAOYSA-N 300.278 -0.375 50 20 DBGD COC(=O)C(=O)NN=Cc1c(C)nn(C)c1N1CCOCC1 1324429654 PDHYIMXPOSDPCI-UHFFFAOYSA-N 309.326 -0.812 50 20 DBGD CS(=O)(=O)Nc1ccc(C(=O)NNC(=O)NC2CC2)cn1 1329772121 XXPAJYLTJUYMKK-UHFFFAOYSA-N 313.339 -0.441 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1noc2ccccc12 1330168188 LPSXTDPZWPBFJH-UHFFFAOYSA-N 311.319 -0.438 50 20 DBGD CC(=O)NNC(=O)c1nn(C)cc1I 1331893824 GZEWPRGJELUQGI-UHFFFAOYSA-N 308.079 -0.194 50 20 DBGD O=C(NNC(=O)c1csc(-c2nn[nH]n2)c1)c1ccnnc1 1582561830 WSYLVMQCTYTYFA-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD COCCOCC(=O)NNC(=O)c1csc(C(=O)O)n1 1599247718 LWZJLGUGOAZNLU-UHFFFAOYSA-N 303.296 -0.735 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc(C(=O)O)cc1F 1606901266 WCVPRINRXQBNMU-UHFFFAOYSA-N 314.269 -0.052 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 66702035 NUABYQZROPISCS-QMMMGPOBSA-N 312.292 -0.010 50 20 DBGD CN(C)C(=O)NNC(=O)Cn1cc(Br)ccc1=O 194925252 LYQADYFDTUKYDR-UHFFFAOYSA-N 317.143 -0.087 50 20 DBGD Cc1cnc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 273381861 DWEKYLNURXJRIO-ZCFIWIBFSA-N 321.384 -0.458 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)O1 276584915 JUVJTKYOGNPRRH-UWVGGRQHSA-N 322.277 -0.611 50 20 DBGD O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc(B(O)O)c(F)c1 584991485 ZNJBQSNZOJHXDR-VIFPVBQESA-N 303.102 -0.484 50 20 DBGD O=C(N[C@@H](C1CC1)[C@@H](CO)C1CC1)c1cccc(B(O)O)c1 584997864 MIDIGNOIPFJQBZ-GJZGRUSLSA-N 303.167 -0.107 50 20 DBGD CN1CC[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CC1=O 585051995 QGXJKAFKGIZXIQ-SNVBAGLBSA-N 301.111 -0.248 50 20 DBGD O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCB(O)O 585056922 ZEWKQOJKQHTYAI-UHFFFAOYSA-N 304.926 -0.149 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)cn1 735513084 TUCLRSNRJMDREA-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 753445605 PWTGUQAUOPBRAF-UHFFFAOYSA-N 318.289 -0.399 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)Nc1ncn(CC(=O)N(C)C)n1 756770757 NESDBXQIZHRAFT-MRVPVSSYSA-N 311.346 -0.435 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCN1 760317487 DTYHQPMFNUOISN-JTQLQIEISA-N 319.317 -0.255 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)n[nH]1 763119352 OAGXNHZQLGZDQM-ZDUSSCGKSA-N 322.325 -0.752 50 20 DBGD O=C(CN1CCn2ncnc2C1)NNC(=O)c1cccs1 770686940 YXYBTPJQODTJGH-UHFFFAOYSA-N 306.351 -0.384 50 20 DBGD Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)CO 773495865 GIFAIHWSGCHRRU-UHFFFAOYSA-N 318.289 -0.272 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)c1ccc[nH]1 778319002 OYOFZTALEFMUEP-UHFFFAOYSA-N 302.290 -0.089 50 20 DBGD COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CBr 780899761 WVUYYQTVSKDZDZ-NKWVEPMBSA-N 316.173 -0.333 50 20 DBGD C[C@@H](O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 786690046 ZXZTXDYNVBQDFM-SSDOTTSWSA-N 300.340 -0.879 50 20 DBGD N#Cc1ncn(CCNC(=O)NNc2cncc(Cl)n2)n1 807509153 DQERRVSMZIWWTD-UHFFFAOYSA-N 307.705 -0.081 50 20 DBGD COC(=O)C12CC(C(=O)NNc3ccc(C(N)=O)nn3)(C1)C2 844134902 LAFYPNVDHFYQTM-UHFFFAOYSA-N 305.294 -0.638 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CCCCC1)c1ncccn1 844584924 YTEPOVNELIHUHP-UHFFFAOYSA-N 316.325 -0.416 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)NC1CCCC1 845322319 SJQWIEVLOITHFM-UHFFFAOYSA-N 322.369 -0.346 50 20 DBGD O=C(NN=Cc1ccc(CO)cc1)N[C@@H]1CCS(=O)(=O)C1 853292752 XBSCZZVRYMNNFX-GFCCVEGCSA-N 311.363 -0.001 50 20 DBGD COc1cncc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 853303842 RMTPQOGYUGAKEO-MRVPVSSYSA-N 300.340 -0.522 50 20 DBGD NS(=O)(=O)CCCCCCC(=O)NNC(=O)c1cc[nH]n1 855356271 OLKSKPXAKOXIBC-UHFFFAOYSA-N 317.371 -0.590 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc[nH]n1 855357837 RCFZLXVLRVZEAZ-MRVPVSSYSA-N 317.371 -0.865 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)N1 858700374 KJAKBEPTCFAIHE-NGDQXYMTSA-N 306.366 -0.016 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N(C)CC(F)(F)F 862459149 NSQVYYUNWKGYQT-NKWVEPMBSA-N 310.276 -0.705 50 20 DBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)N(C)CC(F)(F)F 863464291 BQKFJJJGHBJOHY-ZCFIWIBFSA-N 319.305 -0.939 50 20 DBGD COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ccc(B(O)O)cc1 863879165 VLSFPDAEOZRAQZ-QWHCGFSZSA-N 321.138 -0.841 50 20 DBGD C[C@]1(C(=O)N2CCN(CC(N)=O)CC2)C[C@@H]1Br 906427700 DOGDVORQEZJXSQ-KWQFWETISA-N 304.188 -0.211 50 20 DBGD C[C@]1(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)C[C@H]1Br 907606227 HOKUCNDKAFMCMO-GYZLHAHLSA-N 304.144 -0.094 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)C[C@@H](C)O)C1 910168579 OWIFNWHYIYUKKU-GHMZBOCLSA-N 307.416 -0.608 50 20 DBGD CCS(=O)(=O)C[C@H](C)N(C)C(=O)NNC(=O)c1cn[nH]c1 1118864391 OZBQFPHVLHQLAE-QMMMGPOBSA-N 317.371 -0.481 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNC(=O)c1ccc(Cl)cc1 1317700589 PNRADQXROOTLQO-UHFFFAOYSA-N 310.697 -0.347 50 20 DBGD O=C(COC[C@@H]1CCCO1)NNC(=O)C(=O)Nc1ccccn1 1319094672 JHVWLERPNVGVDG-JTQLQIEISA-N 322.321 -0.637 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccccc1[N+](=O)[O-] 1321036550 FSNJRIZPHWEWOF-UHFFFAOYSA-N 310.266 -0.359 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1ccccc1Cl 1323597992 STPXHGNUNYOIIE-UHFFFAOYSA-N 305.743 -0.350 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 1326126089 BNHZPPOOMWSVNJ-UHFFFAOYSA-N 316.321 -0.022 50 20 DBGD CC(C)c1ncc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 1326901196 WKMQRZHNBZSTGS-UHFFFAOYSA-N 308.342 -0.753 50 20 DBGD CN(CCCNC(=O)NNC(=O)c1ccc[nH]1)S(C)(=O)=O 1327787086 HVZYVXNKVBHEPC-UHFFFAOYSA-N 317.371 -0.760 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CCC(=O)N1 1330320340 XXMBTPGSWJBHOJ-JTQLQIEISA-N 301.306 -0.697 50 20 DBGD CCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)C1CCOCC1 1336945666 QRWDFJUKCSPUQY-VXGBXAGGSA-N 315.370 -0.063 50 20 DBGD CC(C)(C(=O)O)n1cc(NC(=O)c2ccc(B(O)O)cc2)cn1 1588620078 LLEITHXIIKGAOY-UHFFFAOYSA-N 317.110 -0.365 50 20 DBGD CN(C)N(C(=O)[C@H]1CC[C@H]1C(=O)O)[C@@H]1CCS(=O)(=O)C1 1593704218 QKRMJLUKCIVMNB-KXUCPTDWSA-N 304.368 -0.411 50 20 DBGD O=C(Cc1ccc(C(=O)O)nc1)NNC(=O)C1CCOCC1 1601357548 AYNBQOQFFZTIOT-UHFFFAOYSA-N 307.306 -0.104 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)O)c1 1602768069 XIEMLNMYRXHDEM-WDEREUQCSA-N 320.305 -0.088 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)CC(C)(C)O)n1 114727957 ODFQBMCAPFPBSD-UHFFFAOYSA-N 314.411 -0.156 50 20 DBGD CCCCNC(=O)NNC(=O)c1ccc(=O)n(CCOC)n1 142598696 WEPFGZLUCACCLF-UHFFFAOYSA-N 311.342 -0.366 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNc1ncnc2nc[nH]c12 266511518 XMGDLNIUSRCFKI-UHFFFAOYSA-N 312.355 -0.133 50 20 DBGD CCOC(=O)N1CCN([C@@H](C)C(=O)NNC(=O)CC)CC1 493929394 BXXFDEKASUSWBE-JTQLQIEISA-N 300.359 -0.294 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 495761784 IRGZWIHOQHFMPM-UHFFFAOYSA-N 307.310 -0.639 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](OC(=O)N(C)C)C1 496456169 CKVOAARYTGMXQX-JTQLQIEISA-N 300.359 -0.438 50 20 DBGD CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584926407 NEZIYBUXYDEQGO-HNNXBMFYSA-N 320.198 -0.547 50 20 DBGD NC(=O)NC[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584930932 UZGGCORVMLSLTA-SECBINFHSA-N 323.133 -0.974 50 20 DBGD Cn1cnnc1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584930991 HZRXQBSIAJFGKE-UHFFFAOYSA-N 314.154 -0.485 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(Cn2ccnn2)CC1 584965545 PJJVBXJCGRVGMF-UHFFFAOYSA-N 314.154 -0.490 50 20 DBGD CN1CC=C(CCNC(=O)c2cc(B(O)O)ccc2F)CC1 584966857 AOZOKKNPOFPIDK-UHFFFAOYSA-N 306.146 -0.113 50 20 DBGD CCS(=O)(=O)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584999029 CGQGDZXUDBXLGV-UHFFFAOYSA-N 317.147 -0.940 50 20 DBGD O=S1(=O)CCC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585025615 YRFWBVQZIONZCI-LLVKDONJSA-N 301.148 -0.828 50 20 DBGD OC[C@@H](C[C@@H](O)c1ccccc1)NCc1ccccc1B(O)O 585035420 UFNMYUFOHMSYSK-NVXWUHKLSA-N 315.178 -0.059 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@H](B(O)O)C1 585067453 SPQQKRCLXADOGW-GXSJLCMTSA-N 318.204 -0.832 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(O)ccc1O 728436821 JWEYEGGIZSZHSP-MRVPVSSYSA-N 315.351 -0.124 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)CN1CCCNC1=O 730779929 FYZOBUNICLAMGJ-UHFFFAOYSA-N 322.321 -0.666 50 20 DBGD Cc1oc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)O 738969735 PWUPBPMKSGZHEU-LURJTMIESA-N 317.323 -0.326 50 20 DBGD O=C(C[C@H]1CCOC1)NNC(=O)c1ccc(-n2cnnn2)cc1 739681305 VWDILINPRABYTF-SNVBAGLBSA-N 316.321 -0.150 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN2C(=O)NC[C@H]2C1 752332250 NBXZUZYVVDIQOO-QWRGUYRKSA-N 311.386 -0.722 50 20 DBGD Cc1nc(Cn2nnc(NC(=O)NNC(=O)C3CC3)c2C)no1 794369764 LJPPYGSIJRNPQX-UHFFFAOYSA-N 320.313 -0.111 50 20 DBGD O=C(NN=C1CC(=O)N2CCCC[C@H]12)[C@H]1CCS(=O)(=O)C1 799475173 XYCUMOIYVTVSLA-GXSJLCMTSA-N 313.379 -0.322 50 20 DBGD Cn1nnc2c(C(=O)NNC(=O)Cc3cccnc3)ccnc21 800882930 HKAALNDFAAIMSU-UHFFFAOYSA-N 311.305 -0.238 50 20 DBGD COCCOc1cncc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 801151828 ATYWNKKLAAVUDO-UHFFFAOYSA-N 319.321 -0.166 50 20 DBGD C=CCCSCCNC(=O)NNC(=O)C(=O)NC1CC1 820776343 UEIIKPFBQAUEGG-UHFFFAOYSA-N 300.384 -0.095 50 20 DBGD CC(C)C(=O)NNC(=O)CN(C)[C@@H](C)CN1CCOCC1 829321739 HZZAJUZGAFJLJY-LBPRGKRZSA-N 300.403 -0.558 50 20 DBGD Cc1nc(C)c(S(=O)(=O)NNC(=O)NCC(=O)O)s1 833754652 ADJRMUYGLRSZKD-UHFFFAOYSA-N 308.341 -0.663 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)[C@@H]1CCCCO1 836254023 ACRAMKKEYFTRKC-JTQLQIEISA-N 300.359 -0.246 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 843649390 UOERVYXDNCAQFO-UWVGGRQHSA-N 318.395 -0.084 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 847284334 FKEOYFMGHYLMPP-RKDXNWHRSA-N 305.290 -0.312 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CC1OCCO1 855833276 JMZQMVOVCQVDMT-UHFFFAOYSA-N 315.370 -0.161 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H](O)C2CCCCC2)N1 858695512 GFIIOQKWQDRFAT-WDEREUQCSA-N 312.370 -0.463 50 20 DBGD C[C@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCS1 858699740 XMOCLQPJOHOCIY-IUCAKERBSA-N 300.384 -0.167 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNCC(F)(F)C(F)(F)F 863095207 AXHYFDPAYJTBBL-UHFFFAOYSA-N 318.202 -0.253 50 20 DBGD COC(=O)[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1C 863885449 JIDKWEZDRWGWSR-GXFFZTMASA-N 305.139 -0.362 50 20 DBGD COCCOCC(=O)NNC(=O)c1c2c(nn1C)CCCC2 869908401 MBDYZGXFWOOUOP-UHFFFAOYSA-N 310.354 -0.277 50 20 DBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 913173413 YRJFIASYDTXUNR-UHFFFAOYSA-N 305.743 -0.214 50 20 DBGD CC(=O)NCC(=O)NNC(=O)Cc1nc2ccccc2n1C 913535905 KTGAWAWJVRIYIW-UHFFFAOYSA-N 303.322 -0.601 50 20 DBGD C=CCCO[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 921148945 WKCWADSEHORYHB-NXEZZACHSA-N 304.368 -0.450 50 20 DBGD COC[C@H]1COCCN1[C@H](C)C(=O)NNC(=O)CC(C)C 933329928 COYUFABPYYHLOY-NEPJUHHUSA-N 301.387 -0.084 50 20 DBGD COC(=O)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 1252511569 QJDSSXSVQWINRH-UHFFFAOYSA-N 311.319 -0.052 50 20 DBGD CS(=O)(=O)NCc1ccc(C(=O)NNc2ncccn2)o1 1252740144 KKCQERVJFCLUPE-UHFFFAOYSA-N 311.323 -0.124 50 20 DBGD CN(C)N(C(=O)[C@@H]1C[C@@]12CCOC2)[C@@H]1CCS(=O)(=O)C1 1254882904 RUZGJPDUXSKXNY-NTZNESFSSA-N 302.396 -0.095 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 1254935560 JOZVKXPCEZUXQY-UHFFFAOYSA-N 308.294 -0.238 50 20 DBGD Cc1nn(C)c(C)c1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1318247803 WYZUTMDWVGYCFO-QMMMGPOBSA-N 301.372 -0.575 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)Cc1cccnc1)CC2 1324588746 YRGHURAEDMNMGD-NSHDSACASA-N 314.349 -0.295 50 20 DBGD Cc1cc(C)nc(NNC(=O)CCNC(=O)[C@@H]2CCCN2)n1 1325977340 TYILWGMFEXZHBI-NSHDSACASA-N 306.370 -0.205 50 20 DBGD CCn1cc([C@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1329174755 HFLOMONQNWFFRZ-WPRPVWTQSA-N 308.342 -0.427 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC2(CC1)C[C@H](O)CCO2 1333319654 PONRCQINAMSEQT-VXGBXAGGSA-N 313.398 -0.062 50 20 DBGD C[C@]1(CCC(=O)NNc2ccc(C(N)=O)nn2)CCC(=O)N1 1337722186 VXUKZRJBKBVCNX-CYBMUJFWSA-N 306.326 -0.533 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCCC(=O)NCCC(=O)O)n1 1600183258 WAJTXQKPIHRGGU-UHFFFAOYSA-N 324.341 -0.299 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(C(=O)O)on2)ccc1=O 1600932032 IYCBCGSCNGKUMJ-UHFFFAOYSA-N 306.234 -0.854 50 20 DBGD CNC(=O)CCN(C)CC(=O)NNC(=O)Cc1ccccc1C 177960563 CJNPVFMUCTZFFJ-UHFFFAOYSA-N 320.393 -0.247 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 270205308 HKIFLKBWROMKBC-UHFFFAOYSA-N 324.293 -0.539 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(C)ccc1S(N)(=O)=O 274507387 MOTGBVULLSETAH-UHFFFAOYSA-N 314.367 -0.051 50 20 DBGD CSCCNC(=S)NNC(=O)c1cc([N+](=O)[O-])[nH]n1 285895237 UNRMQKCECRHJQL-UHFFFAOYSA-N 304.357 -0.210 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cc[n+]([O-])cc1 494969540 HCGOJBKGPPRJKK-UHFFFAOYSA-N 324.337 -0.004 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 495624733 HKXIKRFGVRTCLF-UHFFFAOYSA-N 316.339 -0.325 50 20 DBGD CN(CCCNC(=O)c1cccc(B(O)O)c1)CC(F)(F)F 584929404 LWRRARJBSZVMLK-UHFFFAOYSA-N 318.104 -0.020 50 20 DBGD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584947433 PRWDSUQGGKXHFH-TZMCWYRMSA-N 318.182 -0.257 50 20 DBGD C[C@@H](CNC(=O)c1cccc(B(O)O)c1)CN1CCOCC1 584950030 OJBLHQLZSYTPPU-LBPRGKRZSA-N 306.171 -0.936 50 20 DBGD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(B(O)O)cc1 584980310 WBHJXVJDMVUKHG-DRZSPHRISA-N 302.139 -0.908 50 20 DBGD CC(=O)N1CCC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584985380 KXQOJHDRRLEZJS-LLVKDONJSA-N 322.145 -0.506 50 20 DBGD O=C(NCC12CCCN1CCC2)c1cc(B(O)O)ccc1F 584986157 VCFVEQMSHSNIAY-UHFFFAOYSA-N 306.146 -0.136 50 20 DBGD O=C(NC1(CO)CCSCC1)c1cc(B(O)O)ccc1F 584997926 LQYDXGJBKSKGKY-UHFFFAOYSA-N 313.159 -0.507 50 20 DBGD CCN1CCN(C[C@H](C)CNCc2ccc(B(O)O)o2)CC1 585021984 GTRQINMSBMWMGU-CYBMUJFWSA-N 309.219 -0.677 50 20 DBGD Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(B(O)O)o1 585036361 FLIURXHOGVCJTB-AAEUAGOBSA-N 305.143 -0.297 50 20 DBGD O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCB(O)O)c1 585059697 XIAXFXTZVRRLBH-UHFFFAOYSA-N 312.471 -0.322 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C1CCCC1 730090987 VQOCSDXZRCLADC-ZDUSSCGKSA-N 307.354 -0.206 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)nc1 732083342 ZZEWONLECVECMR-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H]1CCS(=O)(=O)C1 732196549 AGYQBZBCEZCTTE-MNOVXSKESA-N 319.427 -0.313 50 20 DBGD Cc1nonc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737547628 LSXIDSPWTLORND-UHFFFAOYSA-N 314.265 -0.367 50 20 DBGD Cn1c(N)c(C=NNC(=O)c2ccc(N)cc2)c(=O)n(C)c1=O 749808565 WLZMXDWHHRFYOF-UHFFFAOYSA-N 316.321 -0.988 50 20 DBGD CCCc1nnc(S)n1CC(=O)NNC(=O)Cc1cc[nH]n1 755289132 LRAHMUOOULNNNQ-UHFFFAOYSA-N 323.382 -0.368 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(C#N)c1 759012247 ZAMGVHPWLFNYCA-UHFFFAOYSA-N 310.335 -0.741 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)nc1 761851200 AMSBPEBYIUSCEJ-UHFFFAOYSA-N 302.312 -0.716 50 20 DBGD CN(C)c1nccc(NNC(=O)[C@@H]2CCCCS2(=O)=O)n1 776155391 CZXNUIFWBJHVSW-VIFPVBQESA-N 313.383 -0.047 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)NCc1ccco1 779502821 GYCAYOQCCGCPPD-GZMMTYOYSA-N 324.337 -0.614 50 20 DBGD COc1cccc(NNC(=O)CCn2cc[nH]c(=O)c2=O)n1 780775627 YZOUUWPVYOAMDN-UHFFFAOYSA-N 305.294 -0.526 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3C[C@]3(CO)C2)cc1 782634500 RNTXYFMSAJDGJH-CZUORRHYSA-N 314.345 -0.367 50 20 DBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 799865126 XGCPVJZZNOLEMS-JXUBOQSCSA-N 304.368 -0.618 50 20 DBGD C[C@]1(NNC(=O)NCCCOC(F)F)CCS(=O)(=O)C1 802442754 ZWIOYPMOABKKRO-JTQLQIEISA-N 315.342 -0.003 50 20 DBGD CCNC(=O)CNC(=O)NNc1ccc(-n2ccnc2)nn1 804871151 SRAMMMLPPSFADG-UHFFFAOYSA-N 304.314 -0.576 50 20 DBGD O=C(NNS(=O)(=O)N=S1(=O)CCCC1)c1ccccn1 821116201 KYRJMSUAHONEMZ-UHFFFAOYSA-N 318.380 -0.177 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 826744453 KQBWTOHDGFSVEH-VXNVDRBHSA-N 300.315 -0.808 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N=c1ccnc2n(C)[nH]cc1-2 831748464 CVOSPWXDOXPXDQ-IUCAKERBSA-N 318.337 -0.081 50 20 DBGD O=C(CN1CC[C@@](F)(C(=O)O)C1)NNC(=O)c1ccccc1 833107713 XVJVRWPSOVRLDF-AWEZNQCLSA-N 309.297 -0.054 50 20 DBGD CO[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C12CCC2 838770659 YEXRBFKTLZQATL-MNOVXSKESA-N 324.381 -0.103 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@H]2CCCS(=O)(=O)C2)n1 845933976 JGCVRGUGXQVGEE-LURJTMIESA-N 319.774 -0.020 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2cnc3ccccc3n2)CC1 845946006 LLFGWEVXVIPIMX-UHFFFAOYSA-N 307.335 -0.106 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)C(C)(C)C 852083904 NZMKOXOKYYGSSQ-YUMQZZPRSA-N 307.372 -0.825 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN1CCOCC1=O)C1CC1 855097021 HVYQLMVWSXEICI-QMMMGPOBSA-N 300.384 -0.861 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1O 857012832 VSGPNUXQGSAVEN-JGVFFNPUSA-N 307.306 -0.327 50 20 DBGD Cc1cnc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)c1 858591275 PCBOLHLKXBEHCC-LBPRGKRZSA-N 319.365 -0.150 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccc(F)cc1F 863459041 MLUIJXSFNPGNRW-UHFFFAOYSA-N 322.289 -0.464 50 20 DBGD Cc1ccn(C[C@@H](C)C(=O)NNC(=O)N2CCN(C)CC2)n1 868122300 RXVMWFOXFUKEQD-LLVKDONJSA-N 308.386 -0.184 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NN(C)CCOC)C1 908116033 VYAZMIBHQQWIGC-LBPRGKRZSA-N 301.387 -0.129 50 20 DBGD CC(C)NC(=S)NNC(=O)CCCN1C(=O)CN(C)C1=O 1317716998 PMEZQGRGQISJLT-UHFFFAOYSA-N 315.399 -0.436 50 20 DBGD C[C@H](O[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2)C(=O)O 1325793747 PEVBZUCFSHIDSZ-SFYZADRCSA-N 324.337 -0.072 50 20 DBGD C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)[C@H]1CCC(=O)N1 1329076229 JJLALMHLYMZNLQ-GARJFASQSA-N 317.411 -0.607 50 20 DBGD C[C@@H](C(=O)NNC(=O)C1CC1)S(=O)(=O)C1CCOCC1 1333551266 ZJJXCGXHDKJEHK-QMMMGPOBSA-N 304.368 -0.474 50 20 DBGD O=C(NCC1CCSCC1)NNC(=O)C(=O)NC1CC1 1339048947 MNVXIBYFKSDXNX-UHFFFAOYSA-N 300.384 -0.261 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)Nc1ccccc1 1344705226 JXCXWGUJTJNUDA-UHFFFAOYSA-N 305.294 -0.219 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)NCc1ccco1 1520831207 YSFPVXJPJYXNOK-JQWIXIFHSA-N 307.354 -0.502 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 1588870067 WFZCPSGESOAFSU-UHFFFAOYSA-N 300.275 -0.665 50 20 DBGD O=C(NC[C@H]1CSc2ccccc2O1)NNC(=O)C(=O)O 1601489171 IIAWZKURBFHVEZ-ZETCQYMHSA-N 311.319 -0.045 50 20 DBGD O=C(O)[C@@H]1CNCCCN1S(=O)(=O)CBr 1608646225 KSLBTRVNGWFJRZ-LURJTMIESA-N 301.162 -0.583 50 20 DBGD CC(C)CN1CCC[C@@H](CNC(=O)NNC(=O)C(=O)O)C1 1609698779 ADLWYYUQIIATHT-JTQLQIEISA-N 300.359 -0.231 50 20 DBGD CC[C@@H](NC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847557895 DYBXRRMMBLLVPY-NOOOWODRSA-N 317.817 -0.214 50 20 DBGD COc1ccc(CNC(=S)NNC(=O)C(=O)NC2CC2)cc1 8150538 DTCSWWTULRDQMS-UHFFFAOYSA-N 322.390 -0.031 50 20 DBGD O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cnccn1 11217430 RILFSDRFGDFVQI-UHFFFAOYSA-N 310.273 -0.212 50 20 DBGD COCC(=O)N1CCN(S(=O)(=O)CBr)CC1 127176070 JEMZMUHBKJRZBI-UHFFFAOYSA-N 315.189 -0.541 50 20 DBGD CC(C)(C)[C@H](NCC(=O)NNC(=O)c1ccccc1)C(N)=O 182648266 XOAMIFVXZTWGMG-GFCCVEGCSA-N 306.366 -0.063 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)Cc2ccccc2F)C1=O 264497343 IDJULZNAXUTBSO-UHFFFAOYSA-N 322.296 -0.590 50 20 DBGD Cc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)o1 273354621 BRPYJDAWWGLZIA-UCUJLANTSA-N 315.351 -0.314 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)n1C 273466178 IIJSHQIMVNTBMQ-MRVPVSSYSA-N 316.383 -0.659 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNc1nc2ccccn2n1 276847660 NVVXNOLWLYUDLK-UHFFFAOYSA-N 324.366 -0.402 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NNC(=O)CO 495176792 WRWNAXDIOTZDHB-ZCFIWIBFSA-N 311.285 -0.325 50 20 DBGD C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(B(O)O)ccc1F)CCO2 584985912 SECCSFSMWCDKPT-ZUZCIYMTSA-N 323.129 -0.475 50 20 DBGD CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 585055725 DIWXBQUWMGIWHT-GFCCVEGCSA-N 312.200 -0.014 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 727271389 BJTZQMXYJPBGJH-APPZFPTMSA-N 305.425 -0.285 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cn2ccccc2n1 728434790 QBQSWJNZEISJKL-VIFPVBQESA-N 309.351 -0.278 50 20 DBGD COCCCNC(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 729344362 TUAKZJFZOYTFPW-UHFFFAOYSA-N 312.370 -0.198 50 20 DBGD C[C@]1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCOC1 733650976 DKTPWNFWESGRDA-VXGBXAGGSA-N 305.400 -0.206 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)COc1ccccc1O 735104223 MILKKSKLUCQYAP-NRFANRHFSA-N 315.351 -0.520 50 20 DBGD O=C(CN1CCC2(C1)OCCO2)NNC(=O)c1ccccc1 741779905 OKGVOTQLSDEJBW-UHFFFAOYSA-N 305.334 -0.104 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 741895761 VANAPXJEAHNPHE-ZYHUDNBSSA-N 308.359 -0.092 50 20 DBGD CCS(=O)(=O)c1ccc(NC(=O)NNC(=O)CO)cc1 755599159 MHILEXXWMDYHKN-UHFFFAOYSA-N 301.324 -0.375 50 20 DBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ccc(C(N)=O)nn1 757402154 INBZBRQQYQLVNS-ZETCQYMHSA-N 308.342 -0.431 50 20 DBGD C#CCNC(=S)NNC(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1 758182781 DHTNESIAXIAYHO-UTUOFQBUSA-N 312.439 -0.140 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN[C@H]2C(=O)NCC[C@H]2C)cc1 799345810 PPAPLFWTJVCJMO-BXUZGUMPSA-N 318.377 -0.130 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(CO)c1 814835625 WYOIQIBEMPIOAK-JTQLQIEISA-N 313.379 -0.043 50 20 DBGD CCN(CCO)NC(=O)CN(C)S(=O)(=O)c1ccccc1 823846994 PXHWTWWCMXFRIJ-UHFFFAOYSA-N 315.395 -0.348 50 20 DBGD CC(C)C[C@H](NC(=O)O)C(=O)NNC(=O)[C@@H]1COCCO1 824211802 SZFBKBWCKPCGEN-IUCAKERBSA-N 303.315 -0.769 50 20 DBGD CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCl)CC1 830390650 BCWNNMFFBUNZFU-UHFFFAOYSA-N 311.835 -0.002 50 20 DBGD CO[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C)cc2)C[C@H]1O 832006832 CLAHXHGNSAWWLL-CHWSQXEVSA-N 307.350 -0.552 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCCCO1 833250106 CEWAAOKPONZSDP-JTQLQIEISA-N 321.399 -0.626 50 20 DBGD CC1CCC(NS(=O)(=O)CC(=O)NNc2nc[nH]n2)CC1 839768504 CHHDJCCYYNVKCC-UHFFFAOYSA-N 316.387 -0.254 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccc(Cl)nc1 845223240 PORRKWWVTVCHTR-ZETCQYMHSA-N 318.742 -0.812 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[C@@]1(O)CCCOC1 845721436 CSSYJFBYSNCHHJ-WDMOLILDSA-N 315.370 -0.327 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2ncncc2F)C1 846721612 NAHIQMKQIRGMKJ-SSDOTTSWSA-N 318.334 -0.724 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 858284197 CLABDKJCEIOFCS-JTQLQIEISA-N 307.354 -0.034 50 20 DBGD C[C@@]1(CNC(=O)CN2CCNC(=O)C2)C[C@@H]1Br 864072884 NJJZJMHWCOKGSD-KWQFWETISA-N 304.188 -0.292 50 20 DBGD COC(=O)C1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 865198339 JOVRDKKCHVFBMA-UHFFFAOYSA-N 305.139 -0.172 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 869903400 QNERKMLSBBYPRG-NSHDSACASA-N 313.354 -0.802 50 20 DBGD Cn1c(C(=O)NNC(=O)CN2CCCC2=O)ccc1[N+](=O)[O-] 920433340 AYIGVIQSRCZMSL-UHFFFAOYSA-N 309.282 -0.683 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2nn[nH]c2c1 920434139 QDYIOLBXYQXHNC-UHFFFAOYSA-N 302.294 -0.659 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CC[C@H]1NC(=O)NC1=O 1116019012 VSYJMEOWBLQANX-SECBINFHSA-N 320.305 -0.556 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCc1nc(C)cs1 1116181991 OLGNLGANDMIOEP-UHFFFAOYSA-N 300.340 -0.112 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)C1CCOCC1 1119618229 CSHMMYGEKLHNTC-UHFFFAOYSA-N 309.370 -0.368 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccco1 1252222902 ZPJDILLXXFLPFZ-RKDXNWHRSA-N 300.336 -0.035 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N[C@@H](C)c1nnnn1C 1263137365 DNDORTJMIBPANC-QMMMGPOBSA-N 319.325 -0.076 50 20 DBGD O=C(NNC(=O)c1cc(-c2ccco2)[nH]n1)C(=O)NC1CC1 1317794896 KXERLATUIKVEGM-UHFFFAOYSA-N 303.278 -0.291 50 20 DBGD CN(C)C(=O)CCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1319290436 BBCUROXFLBPWOO-UHFFFAOYSA-N 321.341 -0.230 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1c(C)cccc1OC 1320996064 GXHFWXGNVDDLAN-UHFFFAOYSA-N 309.278 -0.737 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1COc2ccccc2C1 1323433492 PPIBKJXVRZFFMA-VIFPVBQESA-N 307.306 -0.259 50 20 DBGD Cn1nc(C(=O)NNC(=O)NCCC#N)c2ccccc2c1=O 1326657330 JKGRVOACDZHSBP-UHFFFAOYSA-N 314.305 -0.209 50 20 DBGD Cc1nnc2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cn12 1331803475 OEPMFABEBQJLMP-VIFPVBQESA-N 302.294 -0.923 50 20 DBGD C[C@]1(C(=O)NNC(=O)COc2ccccc2O)C[C@H](O)CN1 1573600607 HUUYPTNESWGLMH-LKFCYVNXSA-N 309.322 -0.969 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc2c1CNC2 1580736178 NFUAKEZDZCZDPJ-JTQLQIEISA-N 323.374 -0.515 50 20 DBGD COCCOCC(=O)NNC(=O)Nc1ccnc(C(=O)O)c1 1594018098 LXXWDLOHMWDOGA-UHFFFAOYSA-N 312.282 -0.405 50 20 DBGD Cc1ccc(NNC(=O)C(=O)Nc2cncc(C(=O)O)c2)nn1 1594373240 KJCCUMMGJHMMEX-UHFFFAOYSA-N 316.277 -0.040 50 20 DBGD O=C(O)COCCNC(=O)NNc1ccc(-n2ccnc2)nn1 1608757464 FACGRHSYTNMTNS-UHFFFAOYSA-N 321.297 -0.610 50 20 DBGD O=C(NNS(=O)(=O)c1ccccc1C(=O)O)c1cnccn1 1610701867 YVMZJOLPTJUBBO-UHFFFAOYSA-N 322.302 -0.202 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 45579455 HADJZHWFPURTRN-LBPRGKRZSA-N 320.349 -0.017 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)NCC2CC2)C1=O 68455767 RJDXLOFXGTYJHF-AWEZNQCLSA-N 323.353 -0.553 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1F 264089157 FQQMFVRBHWMHRR-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD C[C@H]1OCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)[C@@H]1C 268907754 NJFISZOIGJLFQD-NXEZZACHSA-N 324.337 -0.141 50 20 DBGD COc1ccc(C(=O)NNC(=O)C2CC2)cc1-n1cnnn1 272898832 JRQVTVCHVZUYIA-UHFFFAOYSA-N 302.294 -0.158 50 20 DBGD Cc1cccnc1NNC(=O)NCCCN1C(=O)CNC1=O 276683899 IMOLIZOMGSZFRE-UHFFFAOYSA-N 306.326 -0.042 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn(C)c2C2CC2)CC1 278734758 VMYMOMMORLVFGD-UHFFFAOYSA-N 306.370 -0.101 50 20 DBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NN(C)C(N)=O)CC1=O 367877195 GGLHNGWQSZAKIE-QWRGUYRKSA-N 311.386 -0.639 50 20 DBGD CC(C)N1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CC1=O 584937761 GTVCBVYHYNSRLP-SNVBAGLBSA-N 308.118 -0.755 50 20 DBGD CC(C)n1cnnc1CNC(=O)c1cc(B(O)O)ccc1F 584943959 XRHVLACVUXFOOO-UHFFFAOYSA-N 306.106 -0.392 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](Cn2ccnn2)C1 584965036 KIMQHDXGXNCXFT-GFCCVEGCSA-N 314.154 -0.490 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)c2ccc(B(O)O)c(F)c2)n1 584975850 ZYNBJOUWXGEYIB-VIFPVBQESA-N 321.117 0.162 50 20 DBGD C[C@H](CO)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 585002722 DXGIQUXQGUIYMN-SNVBAGLBSA-N 309.146 -0.014 50 20 DBGD CC(C)[C@H](CNCc1ccccc1B(O)O)N1CCN(C)CC1 585017882 NIUCTEHBHSTPKP-KRWDZBQOSA-N 319.258 -0.272 50 20 DBGD CN1C(=O)C[C@@H](C(=O)NCB(O)O)[C@H]1c1cccc(Cl)c1 585059335 JSNMIQTZDIHWND-ZYHUDNBSSA-N 310.546 -0.012 50 20 DBGD O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)NCB(O)O 585063178 ZUBXGPWOJPBFAF-FPYGCLRLSA-N 324.167 -0.731 50 20 DBGD CC(=NNC(=O)CSc1nnc(O)nc1O)[C@@H]1CCOC1 741762777 NWXHMOXQKPBXNF-SSDOTTSWSA-N 313.339 -0.097 50 20 DBGD O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)C(=O)NC1CC1 742036429 HYJHVXMCOHLDQX-UHFFFAOYSA-N 306.278 -0.437 50 20 DBGD CCCCNC(=O)NNS(=O)(=O)c1cnn(CCOC)c1 747787108 LOSOFGNOGZERAT-UHFFFAOYSA-N 319.387 -0.178 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)c2cn(C)c(=O)n(C)c2=O)n1 748338217 BWCLNNGXRFJEJR-UHFFFAOYSA-N 324.728 -0.407 50 20 DBGD NC(=O)c1ccc(NNC(=O)CNC(=O)c2ccccc2)nn1 757402946 QTXQRDCWKOUXFU-UHFFFAOYSA-N 314.305 -0.551 50 20 DBGD Cc1c[nH]ccc1=NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 757806823 BTYVZFQPJAHVDG-SECBINFHSA-N 312.351 -0.601 50 20 DBGD O=C(NNC(=S)NC[C@H]1CCCCO1)C(=O)NC1CC1 758185905 UPQXZUDGSXTLJK-SECBINFHSA-N 300.384 -0.671 50 20 DBGD CCn1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cn1 764345647 UDAXOSCDOWOEFR-UHFFFAOYSA-N 316.321 -0.511 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(SC(F)F)nc1 764429756 XOSJTEKVVMZBTD-UHFFFAOYSA-N 320.277 -0.526 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCN(C)C1=O 771940913 RQMIOCFJHIAEMD-SNVBAGLBSA-N 315.333 -0.118 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cnn(-c2ccccc2)n1 775697743 BZQHQGVKRHULFS-UHFFFAOYSA-N 303.326 -0.018 50 20 DBGD CCc1ccc(C(=O)NNC(=O)C2(S(N)(=O)=O)CC2)cc1 816820793 ANOVGAQMXYRMDA-UHFFFAOYSA-N 311.363 -0.169 50 20 DBGD C[C@@H](C#N)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 819844314 CALMYJWGXPKOPF-QMMMGPOBSA-N 315.293 -0.447 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cn2C)n[nH]1 822176666 OFFXANZPNDGUPL-UHFFFAOYSA-N 315.297 -0.688 50 20 DBGD CCO[C@@H]1COC[C@H]1NCC(=O)NNC(=O)c1cccs1 832450077 ARGXEZKQDGBBMH-NXEZZACHSA-N 313.379 -0.097 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 843972780 HUCULLWRGBCBSR-VXNVDRBHSA-N 317.301 -0.244 50 20 DBGD CON1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1 846979833 JCJMJSGQNWFUIH-UHFFFAOYSA-N 306.366 -0.065 50 20 DBGD Cc1ccc([C@@H](O)CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858694083 GELIJDLORVAJCR-NEPJUHHUSA-N 320.349 -0.363 50 20 DBGD COC(=O)c1ccnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 860911625 QYSNOPYWDVEGSD-MRVPVSSYSA-N 321.293 -0.701 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1F 861946482 FQMCFEKMOVBDDW-SNVBAGLBSA-N 322.296 -0.501 50 20 DBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc12 862450957 FHLDZZNZUCTQPL-VIFPVBQESA-N 302.294 -0.694 50 20 DBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cn[nH]c1 862474702 YRNQDOQWURQPRJ-NXEZZACHSA-N 319.321 -0.654 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCN1C1CCCC1 863464093 GQPMGPXMFOQKKF-LLVKDONJSA-N 317.411 -0.415 50 20 DBGD CN1CCCN(CCCNCc2cccc(B(O)O)c2)CC1 894375508 LOFYKGYDJLUNKS-UHFFFAOYSA-N 305.231 -0.516 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 910162946 LTJVBTOZCZLOKR-MFKMUULPSA-N 319.361 -0.151 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 910167447 LFUMHTZZCYEGFI-XJKSGUPXSA-N 307.394 -0.033 50 20 DBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)NC)ccc21 919879482 HJOUZMLNPRWGHK-UHFFFAOYSA-N 305.294 -0.717 50 20 DBGD CN(NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(N)=O 1320005533 NGDGVBZLADRGFG-UHFFFAOYSA-N 305.294 -0.606 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(-n2ccnc2C)nc1 1321186576 VFEMSXGWPJDSGB-UHFFFAOYSA-N 318.293 -0.099 50 20 DBGD C=CC(=O)NCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1324129636 WZFBZTJTQWVWBY-JTQLQIEISA-N 303.384 -0.829 50 20 DBGD CN(NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 1329151068 DFYGQUBANVVVAU-GXSJLCMTSA-N 315.395 -0.853 50 20 DBGD COC1(OC)CCOC[C@@H]1NCC(=O)NNC(=O)C(C)C 1335067354 JBIRWMIZOPIGFN-JTQLQIEISA-N 303.359 -0.843 50 20 DBGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)c1ccc[nH]1 1337121520 ICLHTZJEADRABB-UHFFFAOYSA-N 305.294 -0.082 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1338711427 PBNQEWUICXFMCO-UHFFFAOYSA-N 309.326 -0.204 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccc(CS(C)(=O)=O)c1 1343816074 NQPSYGHQRKZOMF-UHFFFAOYSA-N 314.363 -0.237 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc([C@@H](C)O)s1 1343884092 HKBRJKPNODOUMT-RNFRBKRXSA-N 320.396 -0.416 50 20 DBGD CC(C)NC(=O)NNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588925271 HZFZRFAVUQBDJK-UHFFFAOYSA-N 321.355 -0.995 50 20 DBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)COc1ccccc1O 1589001514 KVHFWDCUQMWGAN-MRVPVSSYSA-N 311.294 -0.035 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1cccc(C(=O)O)c1C)C(N)=O 1589153243 USDFHEZKEAEFTJ-NSHDSACASA-N 322.321 -0.484 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)c1ccc(=O)n(C)c1)C(=O)O 1589537837 BQNUZCLRMSPUBO-QMMMGPOBSA-N 310.310 -0.560 50 20 DBGD C[C@H](NC(=S)NNC(=O)Cn1cc(C(=O)O)nn1)C1CC1 1593188817 AUIVWBMPGVAPOD-LURJTMIESA-N 312.355 -0.730 50 20 DBGD CC(C)[C@@H](CNC(=O)NNC(=O)c1cnsn1)C(=O)O 1602984990 MQYOUWQIAXRJEB-ZCFIWIBFSA-N 301.328 -0.161 50 20 DBGD OB(O)[C@@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)COCC3)C1 1607091013 BGZPJHMHGKEUNX-SECBINFHSA-N 316.130 -0.613 50 20 DBGD O=C(O)CCCNC(=S)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1608714933 HUMVAVTYZSLJAQ-HRDYMLBCSA-N 301.368 -0.086 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 16785565 FGZDCTRJSLXSNT-VIFPVBQESA-N 312.347 -0.109 50 20 DBGD CNC(=O)CN1CCC(NC(=O)NNc2ccccn2)CC1 79432708 KKICFYBXLRPRGU-UHFFFAOYSA-N 306.370 -0.082 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CN2CCN(C)CC2)cc1 111540535 UXZZXCUVVHWTKU-UHFFFAOYSA-N 320.393 -0.231 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CN1C1CC1 127534071 UQYHQAYQHYCDEG-ONGXEEELSA-N 306.370 -0.011 50 20 DBGD Cn1c(=O)[nH]c2ccc(C(=O)NNC(=O)N3CCOCC3)cc21 269756839 VATSJFZOEMPYBE-UHFFFAOYSA-N 319.321 -0.447 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1cccnn1 273214181 SIKUQDJSGVAFSA-VIFPVBQESA-N 301.372 -0.116 50 20 DBGD COc1cncc(C(=O)NNC(=O)Cn2nc(C)cc2C)n1 276690895 MZZVPUKNUIBRGV-UHFFFAOYSA-N 304.310 -0.240 50 20 DBGD NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(CCCCl)cc1 285412975 VBULQCGZIZUESB-NSHDSACASA-N 320.798 -0.018 50 20 DBGD CCOC(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 490560460 QPRUFWVMOZVZMK-UHFFFAOYSA-N 314.323 -0.739 50 20 DBGD CN(C)CC(=O)NNC(=O)C1CN(C(=O)OC(C)(C)C)C1 495262414 ADTGKHUGDIOSGS-UHFFFAOYSA-N 300.359 -0.438 50 20 DBGD C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(B(O)O)cc1 584945621 JIWJOLOATMUTEL-NXEZZACHSA-N 313.184 -0.740 50 20 DBGD CCO[C@@H](C)c1noc(CNC(=O)c2ccc(B(O)O)cc2)n1 584951015 GPYOXABLADHAGD-VIFPVBQESA-N 319.126 -0.223 50 20 DBGD C[C@H]1CO[C@H](C)CN1CCNC(=O)c1cccc(B(O)O)c1 585005621 CYFJIGQRHQJAQC-NWDGAFQWSA-N 306.171 -0.795 50 20 DBGD O=C1C[C@](C(=O)N2CC[C@H](B(O)O)C2)(c2ccccc2)CN1 585063634 DPMHVLNCMIWFHE-SWLSCSKDSA-N 302.139 -0.480 50 20 DBGD NS(=O)(=O)c1cc(N2CC[C@@H](B(O)O)C2)cc([N+](=O)[O-])c1 585072426 AOASQIUZNBCGHI-SSDOTTSWSA-N 315.116 -0.705 50 20 DBGD Cc1cc(C(=O)NNC(=O)NC(C)C)ccc1S(N)(=O)=O 730842714 OVNJCESPOFWWQK-UHFFFAOYSA-N 314.367 -0.005 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1cc(C(N)=O)c2ccccc21 733359290 KODYYZAGQQGCGL-UHFFFAOYSA-N 317.349 -0.551 50 20 DBGD NC(=O)C(=O)NN=C1C(=O)Nc2ccc(C(F)(F)F)cc21 754253146 AOONMRNRRFCKSS-UHFFFAOYSA-N 300.196 -0.037 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 758056914 UPKMCMDPSKBOFP-VIFPVBQESA-N 314.367 -0.982 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNc1ccc(C(N)=O)nn1 759095544 UFLGOYFDDUVFBQ-UHFFFAOYSA-N 319.325 -0.552 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc(S(C)(=O)=O)c1 763268530 QNADDYXHCITUPO-UHFFFAOYSA-N 314.367 -0.196 50 20 DBGD CC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777589265 RUIDGVYNGXCXBG-SECBINFHSA-N 310.379 -0.281 50 20 DBGD Cc1c[nH]nc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 799832233 UIACGOHSVOWDNC-PHIMTYICSA-N 309.370 -0.022 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F 823558576 KKUGNRBHPBCNGO-PHDIDXHHSA-N 312.317 -0.232 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)c2ccc[nH]2)n1 824448733 LIYWAQDZENRKMQ-UHFFFAOYSA-N 321.297 -0.364 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](C(=O)N(C)C)C1 827260678 VESNDLAIKZBLNR-HBNTYKKESA-N 312.370 -0.438 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccc(F)cc1F 830782199 PVIYIJJRNGGYJG-UHFFFAOYSA-N 308.310 -0.196 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 842589050 HEACVAHWVVVLPK-PSASIEDQSA-N 315.351 -0.175 50 20 DBGD O=C(N[C@@H](CO)C(=O)NNC(=O)C1CC1)c1ccc(F)cc1 845075918 DWALAJTZVWGHDY-NSHDSACASA-N 309.297 -0.526 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1 847287223 PQLUTJGQRNGWNI-RYUDHWBXSA-N 316.317 -0.404 50 20 DBGD CC(C)(CO)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 847291715 UJPOWZZPALHUEQ-UHFFFAOYSA-N 304.310 -0.558 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CC[C@H]2C(N)=O)nc2ccccc2c1=O 847493383 SEVMVEWSMIGYDO-RKDXNWHRSA-N 315.333 -0.112 50 20 DBGD CC1=C(C(=O)NNC(=O)CC2CC2)[C@H](C)n2nnnc2N1C 848143980 HRBGENRQQYDFII-QMMMGPOBSA-N 305.342 -0.095 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)CC(F)(F)F 855000556 KGDWYTHBJZBTTE-XRGYYRRGSA-N 311.260 -0.638 50 20 DBGD CC(C)(C)C[C@@H](CO)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694963 CZENTXBMQNRWPU-IUCAKERBSA-N 300.359 -0.608 50 20 DBGD O=C(CNC(=O)Nc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 862450638 YBAQAOPPHHBZJE-SNVBAGLBSA-N 319.321 -0.766 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(F)ccc2[N+](=O)[O-])N1 862452260 DLEHRZKDCRKNCX-QMMMGPOBSA-N 310.241 -0.227 50 20 DBGD CC1=C(C(=O)NNC(=O)c2cn[nH]c2)[C@@H](C)n2ncnc2N1C 862470886 XIDCMTNLXVKHMT-MRVPVSSYSA-N 316.325 -0.253 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 863867172 TUDHCMIRIRQQEX-YVNDNENWSA-N 317.411 -0.102 50 20 DBGD O=C(NNC(=O)N1CCO[C@@H](C(F)F)C1)c1ncccn1 873045578 GRQHPNPKWAFCIO-SSDOTTSWSA-N 301.253 -0.203 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@]1(C)CCNC1=O 873834497 OCBAVMYVAZPSRU-GFCCVEGCSA-N 302.400 -0.613 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCC(=O)N1CCOCC1 916251437 PICTVEXRWVYSBE-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)CN1CCCC1=O 920433388 SHUFIDFXMMSOFU-SECBINFHSA-N 322.321 -0.832 50 20 DBGD O=C1CSC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N1 935802026 CFUPPGISSIXACS-BYPYZUCNSA-N 300.262 -0.889 50 20 DBGD COC(=O)Nc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1115983367 GKCPFJHBFDLLBR-UHFFFAOYSA-N 320.305 -0.096 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccnc1F 1117377600 FMYMURPGVWIRAH-ZETCQYMHSA-N 301.299 -0.584 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1CC#N 1321071771 GKENDVIRHCYBBV-UHFFFAOYSA-N 324.362 -0.413 50 20 DBGD C[C@@]1(NNC(=O)NCC2CCOCC2)CCS(=O)(=O)C1 1322213065 FJIKHJOZTFTJCQ-GFCCVEGCSA-N 305.400 -0.206 50 20 DBGD O=C(NCC1(N2CCOCC2)CC1)NNC(=O)c1cn[nH]c1 1329978749 KOLSLWQVDPJVCM-UHFFFAOYSA-N 308.342 -0.782 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21 1343341680 WIRDIBSDEUIDBZ-UHFFFAOYSA-N 323.280 -0.575 50 20 DBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)CN)CC1CC1 1575163419 PASUJQXNARIEHU-UHFFFAOYSA-N 300.359 -0.260 50 20 DBGD O=C(O)CCc1nnn(CC(=O)NNC(=O)c2ccccc2)n1 1602049084 PLMXKMHTGGXUCU-UHFFFAOYSA-N 318.293 -0.849 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cn1 1605491163 NXWDVZKWBPJLOC-AFEJZFQQSA-N 316.317 -0.113 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1cccc(-c2nn[nH]n2)c1 1606851980 URWNCXCNVYLCRU-AOOOYVTPSA-N 302.294 -0.601 50 20 DBGD CC(C)c1csc(NC(=O)C(=O)NNC(=O)C(=O)O)n1 1609721029 GTCSBRTZMPMQMR-UHFFFAOYSA-N 300.296 -0.563 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1 1842422261 DDMHBQUKALNJON-JTQLQIEISA-N 312.757 -0.174 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCCSC1 267271796 FJYRHGKJWVBBFZ-SECBINFHSA-N 300.384 -0.165 50 20 DBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)O1 268706072 UEHUQBHMMFYNQH-NEPJUHHUSA-N 320.349 -0.084 50 20 DBGD COc1ccnc(NNC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 269157891 REULPHBETWIIPM-UHFFFAOYSA-N 322.285 -0.084 50 20 DBGD O=C(CN1CCC[C@@H]1CO)NNC(=O)c1cccc([N+](=O)[O-])c1 270919530 IVHYEONOQVUBCF-GFCCVEGCSA-N 322.321 -0.188 50 20 DBGD O=C(CN1C[C@@H](O)[C@H](O)C1)NNC(=O)c1ccccc1Cl 278620492 FXBPRTIOQXJBEB-GHMZBOCLSA-N 313.741 -0.862 50 20 DBGD COC(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 290964186 NTDCJPFBDQEXNN-UHFFFAOYSA-N 306.322 -0.278 50 20 DBGD CCc1ccc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)cc1 373200335 GLUUEDMSHBKSBV-NSHDSACASA-N 305.334 -0.258 50 20 DBGD CCOCCOC1CN(C(=O)c2cc(B(O)O)ccc2F)C1 584971407 RPNSPZMFQQHSPD-UHFFFAOYSA-N 311.118 -0.617 50 20 DBGD CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(B(O)O)cc1 584974107 MJLFWGIWMCAUST-SNVBAGLBSA-N 305.061 -0.248 50 20 DBGD C[C@@H]1c2nncn2CCN1C(=O)c1cc(B(O)O)ccc1F 584980465 AHQNYRQQRAYXJX-MRVPVSSYSA-N 304.090 -0.686 50 20 DBGD O=C(NCB(O)O)c1sccc1S(=O)(=O)N1CCCC1 585056448 WDBFFKWXWNIJSZ-UHFFFAOYSA-N 318.185 -0.726 50 20 DBGD CCNC(=O)NNC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 726529587 SODUIFWBIHJAQB-MRVPVSSYSA-N 311.342 -0.410 50 20 DBGD O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)c1cnn[nH]1 729457528 PIDPUJKGYULOCQ-UHFFFAOYSA-N 305.254 -0.414 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NCCCN1C(=O)CCC1=O 730068540 PYJDLUOLNDPFTE-UHFFFAOYSA-N 324.259 -0.192 50 20 DBGD CN(C)C(=O)NNC(=O)Cc1cccc(NS(C)(=O)=O)c1 730216250 NQRHOKNJXNMLKU-UHFFFAOYSA-N 314.367 -0.097 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN(CC2CC2)C1 739037002 YAHVVSBPJVQWPL-GFCCVEGCSA-N 323.397 -0.577 50 20 DBGD NC(=O)C(=O)NN=Cc1cc2c(cc1OC(F)F)OCO2 741758027 XSGCCVGEJNTFCD-UHFFFAOYSA-N 301.205 -0.048 50 20 DBGD C[C@@]1(NNC(=O)NCCOC2CCC2)CCS(=O)(=O)C1 745904808 QZDJJQVKRWJNRO-GFCCVEGCSA-N 305.400 -0.064 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)N2CCOCC2)n1 745985940 DHOFOWUMDQEZAQ-UHFFFAOYSA-N 308.294 -0.445 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc2c(c1)COC2 754882824 GCJKZVXPPONLKV-UHFFFAOYSA-N 305.334 -0.069 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCN1c1ncccn1 755270858 VLHPTJONBAHTSM-NSHDSACASA-N 315.337 -0.441 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 764316912 HEFKMPRKMGTUCG-UHFFFAOYSA-N 323.305 -0.404 50 20 DBGD COc1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1[N+](=O)[O-] 767883871 XZKYMNJJMVQGHN-UHFFFAOYSA-N 306.238 -0.204 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCCS1(=O)=O 772413761 ZARBLYBFNAPWPU-DTWKUNHWSA-N 320.367 -0.557 50 20 DBGD Nc1ccccc1S(=O)(=O)NCC(=O)NNc1ncccn1 774361124 DIHGURQZSNICRH-UHFFFAOYSA-N 322.350 -0.520 50 20 DBGD CC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)N1CCCC1=O 788168789 CVMWPLCONMUVEX-NSHDSACASA-N 311.386 -0.624 50 20 DBGD COC[C@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CCCO1 789332621 RPJUYJPVNKLXJR-QWRGUYRKSA-N 311.342 -0.442 50 20 DBGD CCC[C@H](C(=O)NNC(=O)c1cccn1C)S(N)(=O)=O 816824153 PXQMVGABXXEDRX-SECBINFHSA-N 302.356 -0.757 50 20 DBGD COC(=O)CSCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825943153 ZKQPKHRULMQWCP-DTWKUNHWSA-N 319.383 -0.352 50 20 DBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1CCNC1=O 826577834 LCWBKIQUOOBWQO-NSHDSACASA-N 300.318 -0.075 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C(=O)Nc1c(F)cccc1F 832754716 QKEBPDHFQXXWHO-UHFFFAOYSA-N 301.249 -0.178 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)Cc1cccnc1 844653445 GGOIXCMLOOEAOF-UHFFFAOYSA-N 302.356 -0.932 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)[C@H]2CCS(=O)(=O)N2)n1 846263807 GUHQJELOWKEPOM-ZCFIWIBFSA-N 305.747 -0.427 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOc2ccccc2)N1 858088445 FBUMQNXLPHRVRH-NSHDSACASA-N 306.322 -0.326 50 20 DBGD O=C(NC[C@@H]1COCCN1)NNC(=O)c1cccc([N+](=O)[O-])c1 861679950 DLLLLXKKAIRYEO-SNVBAGLBSA-N 323.309 -0.473 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCNC1 861705170 JQVRBKSWTPGSOB-SNVBAGLBSA-N 306.322 -0.236 50 20 DBGD CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454935 LGCKVEWPCWOSAN-MNOVXSKESA-N 324.381 -0.406 50 20 DBGD Cc1nc2cccc(C(=O)NNC(=O)CS(C)(=O)=O)c2[nH]1 863465823 HJGJFEVOUMOEJU-UHFFFAOYSA-N 310.335 -0.323 50 20 DBGD CCn1c(S)nnc1CCNC(=O)c1cccc(B(O)O)c1 863873912 KDFUDDKOQDRTBI-UHFFFAOYSA-N 320.183 -0.761 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 910183988 WJIBQDAZJQFYQH-SNVBAGLBSA-N 315.395 -0.106 50 20 DBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ncccn1 1115833729 VHXNKZYTIWCWTQ-UHFFFAOYSA-N 323.334 -0.111 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)NCC3CC3)nn2)COC1 1116575892 WFOKURJUBOLZRU-UHFFFAOYSA-N 308.342 -0.331 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccnc1N(C)C 1261128610 XKJHRGWAARYSCE-VIFPVBQESA-N 313.383 -0.465 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1=O 1318909439 GSRNYCNTGNOVHH-LLVKDONJSA-N 319.365 -0.128 50 20 DBGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)n1 1321152814 XWHLLCRKOQQULM-UHFFFAOYSA-N 322.369 -0.669 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cccc(Cl)c1 1321615678 XJOIMATWNKIXEL-UHFFFAOYSA-N 324.724 -0.296 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2 1324362745 SENAJSYTBKPBNT-UHFFFAOYSA-N 305.290 -0.566 50 20 DBGD CC(=O)OC(C)(C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1326737692 LAMDWAJYQCVABE-UHFFFAOYSA-N 308.298 -0.146 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1=O 1329910823 IGYUJTAYIYTJKA-QMMMGPOBSA-N 323.284 -0.688 50 20 DBGD O=c1cnc2cc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)ccc2[nH]1 1330262916 UZJYVZHSNPVQPI-MRVPVSSYSA-N 323.139 -0.840 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCCC23CCOCC3)N1 1331532458 IDEORTNAXAYSNG-MNOVXSKESA-N 324.381 -0.055 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCNC2)C[C@@H]1Br 1335252621 BNLGIVUZHSGVRK-FYBVGQRMSA-N 304.188 -0.246 50 20 DBGD C[C@H](C[S@](C)=O)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1342301728 VILWAJREIZSCRH-FBHDYWMHSA-N 311.429 -0.866 50 20 DBGD CCn1nc(C(=O)NNC(=O)C[C@@H](C)N)c2ccccc2c1=O 1578359461 LTOSNTANMNQCLH-SECBINFHSA-N 317.349 -0.085 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)CCCN)s1 1579349651 ARWBUCHNBUUTOG-UHFFFAOYSA-N 305.381 -0.349 50 20 DBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=S)Nc1ccccn1 1601379179 BENJHXVKRYBXEV-UHFFFAOYSA-N 320.334 -0.006 50 20 DBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1603525970 NSXIRTYCHFCKTD-MRVPVSSYSA-N 320.367 -0.541 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cncc(-n2ccnn2)c1 295322928 GSPZGEBSXZYNNQ-LBPRGKRZSA-N 316.321 -0.008 50 20 DBGD C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)S(C)(=O)=O 298568364 BPXYGPIODTVUPA-MRVPVSSYSA-N 318.326 -0.215 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)OC(C)(C)C)C(=O)C1=O 299137784 OFRDRKWMQBYCLL-UHFFFAOYSA-N 314.342 -0.767 50 20 DBGD Cc1nnc([C@H]2CN(C(=O)c3ccc(B(O)O)cc3)CCO2)o1 584974283 NFUOUXMWQGJKSR-GFCCVEGCSA-N 317.110 -0.728 50 20 DBGD CC(C)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584974760 PZDARYBROZGYFO-UHFFFAOYSA-N 322.145 -0.554 50 20 DBGD O=C(N[C@H](CO)C1CCOCC1)c1cc(B(O)O)ccc1F 584984485 VXSXFTXGEDCHKY-CYBMUJFWSA-N 311.118 -0.977 50 20 DBGD CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cccc(B(O)O)c4)[C@H]1[C@H]3C2 584988388 MOSPKEDWNKLVKL-FONWIUJUSA-N 301.151 -0.138 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@H]1[C@H]1CCCO1 584988563 PZMUDRQKBBAGBQ-UONOGXRCSA-N 305.139 -0.614 50 20 DBGD O=C(NCc1cc2c(nc1O)CCC2)c1ccc(B(O)O)cc1 585010124 KENJCBBQFPOAPO-UHFFFAOYSA-N 312.134 -0.114 50 20 DBGD N#CC1(CNC(=O)CNCc2ccc(B(O)O)cc2F)CC1 585036662 NQBLEKVQIBLEIH-UHFFFAOYSA-N 305.118 -0.985 50 20 DBGD Cc1cc(CNCc2ccc(B(O)O)cc2F)nc(N(C)C)n1 585037681 GYQPVSQDUIYHFW-UHFFFAOYSA-N 318.161 -0.040 50 20 DBGD COc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1O 728435914 AWMHRQPSJFWAKP-MRVPVSSYSA-N 315.351 -0.211 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 729274920 HNLNYDDAUVBISI-AATLWQCWSA-N 303.384 -0.492 50 20 DBGD CCN(CC(=O)NNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 733193080 AYTQXNYUDNQQBP-SNVBAGLBSA-N 303.384 -0.947 50 20 DBGD Cn1c(CC(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)nc2ccccc21 739012849 RYGMDZYETYLFFH-IUCAKERBSA-N 316.317 -0.016 50 20 DBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)C(=O)N1CCCC1 748245911 UCHBKWDQHFNUME-QWRGUYRKSA-N 313.354 -0.660 50 20 DBGD CN(C)CCn1ccc(NC(=O)NNC(=O)c2cnccn2)n1 756764564 JMNVSQNYJMHSOR-UHFFFAOYSA-N 318.341 -0.299 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cn1 764342702 HRRAJRSSISSXPF-UHFFFAOYSA-N 323.312 -0.351 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)CCc2ccccc2O)C1=O 776141929 UWGGNPBMQBASOV-LLVKDONJSA-N 305.334 -0.050 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ccccn1 777471038 AQCBSBRLTWOXMP-NSHDSACASA-N 305.338 -0.348 50 20 DBGD CN(C)c1cnc(C(=O)NNC(=O)Cc2cccnc2)cn1 779663729 OVUFNBKRWFMFQE-UHFFFAOYSA-N 300.322 -0.059 50 20 DBGD COCCONC(=O)NNC(=O)Cc1cn2ccccc2n1 789341863 JGLFXADEVLYHTP-UHFFFAOYSA-N 307.310 -0.215 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(C#N)c2)CC1 791577388 MKCFTLQZNSDQDC-UHFFFAOYSA-N 307.331 -0.104 50 20 DBGD COc1nccnc1NNC(=O)C1=C(C)N(C)c2nnnn2C1 798177079 AFRQLCUMUOMVDJ-UHFFFAOYSA-N 317.313 -0.661 50 20 DBGD CSSCCNC(=O)CNS(=O)(=O)c1cnn(C)c1 803480332 BTVXAHLCXLOURD-UHFFFAOYSA-N 324.453 -0.174 50 20 DBGD CC(=O)N1C[C@@H]2CCC[C@H](NCC(=O)NNC(=O)C3CC3)[C@H]2C1 808784001 WJPGGCFAGKHIKL-IHRRRGAJSA-N 322.409 -0.220 50 20 DBGD C=CCNC(=S)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 814718369 UFRWEMGMJOQHAF-AOOOYVTPSA-N 322.390 -0.381 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)CC(C)C 821160350 MGBLYCGEWSVELV-DTWKUNHWSA-N 307.372 -0.825 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cc(-c2nn[nH]n2)cs1 823273143 FUASNMGISRCDIC-ZETCQYMHSA-N 324.322 -0.895 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)[C@H]1CCCCO1 827269262 WZOQSFSHBOLVTB-IVZWLZJFSA-N 314.342 -0.658 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)N1 862462104 UQKLLXLDPBSLJB-SSDOTTSWSA-N 308.250 -0.660 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cn[nH]c1)n1nnnc1C(C)(C)C 862471055 PFRCFRNYRGOLEX-ZETCQYMHSA-N 306.330 -0.284 50 20 DBGD CC[C@@](COC)(NC(=O)c1cccc(B(O)O)c1)C(=O)OC 863885842 PNYMVWXVJGCUBJ-AWEZNQCLSA-N 309.127 -0.936 50 20 DBGD O=C(COC(=O)C[C@@H]1COC(=O)C1)NNC(=O)c1ccccc1 1116299355 WHOQCWZWPMHIDB-SNVBAGLBSA-N 320.301 -0.056 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCO[C@H](C2CC2)C1 1320546744 VHYUBENFIZTGJF-MNOVXSKESA-N 310.354 -0.447 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)s2)cn1 1321158042 KZGVATXKHVTUSH-UHFFFAOYSA-N 311.348 -0.023 50 20 DBGD CCOC(=O)[C@@H]1CNCCN1S(=O)(=O)CBr 1327609483 BDEOOEIWVYBEMV-ZETCQYMHSA-N 315.189 -0.495 50 20 DBGD CC(C)(C)n1ncnc1CNC(=O)NNC(=O)c1cn[nH]c1 1348109984 CWEGXXGVJYBPTC-UHFFFAOYSA-N 306.330 -0.100 50 20 DBGD CC(=O)c1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)cc1 1348437284 VNJFVCWCJDNSSR-UHFFFAOYSA-N 312.347 -0.376 50 20 DBGD C[C@@H]1[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C[C@H]2CC[C@H]1N2 1576587684 HKTWJECYAPRAQO-OIUVXRBSSA-N 306.146 -0.236 50 20 DBGD CN(C)CCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842820532 FKYCYOFQVUMNFA-LLVKDONJSA-N 317.817 -0.259 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cn1 117683106 MJYVQBFXVYXORA-UHFFFAOYSA-N 321.297 -0.279 50 20 DBGD Cc1cc(C(=O)NNC(=O)CN(C)C)c2c(C)nn(C)c2n1 263909995 KLYHXOODRADHRN-UHFFFAOYSA-N 304.354 -0.092 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)c2cccn2C)n1 275228071 DMQVYUGKTHFNLX-UHFFFAOYSA-N 306.326 -0.132 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)C(=O)NCC1CC1 276561635 SOISUJLHMOANRW-UHFFFAOYSA-N 305.334 -0.123 50 20 DBGD CN(NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)OC(C)(C)C 297561121 GMMIOWQHINILNK-UHFFFAOYSA-N 312.326 -0.555 50 20 DBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(B(O)O)ccc1F 584937124 RAPFUNFBLZSPPT-VXGBXAGGSA-N 322.145 -0.902 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 584986910 NXCQFAMWFWZILZ-XXBVRILMSA-N 305.114 -0.653 50 20 DBGD Cc1noc([C@@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)n1 584994429 OLORGTMKKXOWSO-SNVBAGLBSA-N 319.101 -0.173 50 20 DBGD O=C1C[C@@H](NCc2ccc(B(O)O)cc2F)[C@@H]2CCCCN12 585042271 NSOANENCNPUIJN-KGLIPLIRSA-N 306.146 -0.252 50 20 DBGD O=C(CN1CCC[C@H](C(=O)NCC2CC2)C1)NNC(=O)C1CC1 733194443 RRNZMCRBKUWSLU-ZDUSSCGKSA-N 322.409 -0.218 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C)c(F)c(C(=O)O)c1 763285394 ZAPQZFQMWSFOME-UHFFFAOYSA-N 305.287 -0.045 50 20 DBGD CS(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 763910730 DPSNGQAYQBOKDL-SNVBAGLBSA-N 303.384 -0.947 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1OC 764318525 WIYVUQIJWYXPKN-UHFFFAOYSA-N 320.305 -0.311 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1 764401938 ZYJIMBRKDGIGFQ-SNVBAGLBSA-N 309.322 -0.176 50 20 DBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNc1cccnn1 776935906 HIVVDNJDCSZJDH-WDEREUQCSA-N 311.342 -0.077 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@@H]2CC[C@@H](C(=O)O)O2)cs1 785404402 VCECWVPAJMNRNS-IUCAKERBSA-N 313.335 -0.226 50 20 DBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)N1CCN(C)CC1 788168848 FVBHBSXQMUHIQA-UHFFFAOYSA-N 314.386 -0.046 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@@H]2C(=O)NCC[C@@H]2C)c1 799345959 CGSNTVVYGJULCC-FZMZJTMJSA-N 318.377 -0.130 50 20 DBGD COCCN1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1=O 801602399 GFECUMYTFQGGBP-LLVKDONJSA-N 314.386 -0.684 50 20 DBGD CNC(=O)NCCC(=O)NNc1ccc(S(C)(=O)=O)cc1 815852394 SNYPWNFSEJMFKF-UHFFFAOYSA-N 314.367 -0.148 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(S(C)(=O)=O)nc1 822546881 BVZWEVXTZBODCL-UHFFFAOYSA-N 302.381 -0.434 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826076171 OSLXBRKRXFALBI-NWDGAFQWSA-N 316.402 -0.290 50 20 DBGD O=S(=O)(CCl)NCCNS(=O)(=O)c1cccnc1 830918842 MRIKPVMNAWDGAF-UHFFFAOYSA-N 313.788 -0.524 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C[C@H]1CCC(=O)N1 854191086 TZVBPCAQAUCYAR-SNVBAGLBSA-N 321.333 -0.110 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 854922709 FYCASCIEYFETKT-ZETCQYMHSA-N 310.445 -0.582 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1ncc(Cl)cn1 856863088 GJYYBLILOLIEGK-UHFFFAOYSA-N 313.705 -0.692 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOc2cccc(F)c2)N1 858137260 KQXBEGVEXCANLG-LLVKDONJSA-N 324.312 -0.187 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2F)N1 862460478 FEMGLQYFHZYOBC-VIFPVBQESA-N 310.241 -0.227 50 20 DBGD COC(=O)c1cn(C2CN(S(=O)(=O)CCCCl)C2)nn1 882050326 UGGUDZKGYVIJGC-UHFFFAOYSA-N 322.774 -0.120 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc1O 1251426976 BCBZIQPFYWSYDR-JTQLQIEISA-N 320.353 -0.023 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 1322325331 MEHUAIKOCXTGAY-SSDOTTSWSA-N 313.360 -0.185 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc([S@](C)=O)cc1 1322417052 JACHZWDMXFRDRZ-NRFANRHFSA-N 313.335 -0.573 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 1323943315 FIYCCCNBUKQGKX-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 1324073403 DDMXKUJFXPLCHH-UHFFFAOYSA-N 315.355 -0.752 50 20 DBGD Cc1nc([C@H]2COCCN2CC(=O)NNC(=O)C2CC2)no1 1325206739 ZJYOIORURGCNJF-SNVBAGLBSA-N 309.326 -0.691 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2cccc(F)n2)nn1 1326462735 PZVOYWHBMNBDPL-UHFFFAOYSA-N 307.289 -0.343 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)[C@H]1CCCCO1 1327322669 FRIRCGFJCBJQIP-SNVBAGLBSA-N 321.399 -0.448 50 20 DBGD NC(=O)c1ccc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1329077524 GDTOWWIFXSXSAA-NSHDSACASA-N 318.333 -0.856 50 20 DBGD CNC(=S)N(C)NC(=O)c1cn(CCOC)c(C)cc1=O 1330861165 DAVTUYGHDGJRAC-UHFFFAOYSA-N 312.395 -0.116 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(S(C)(=O)=O)o1 1339804933 ZQEAAAPYLIXDCL-UHFFFAOYSA-N 303.365 -0.022 50 20 DBGD O=C(N[C@H](C(=O)O)c1cccs1)c1ccc(B(O)O)cc1 1608388291 RPUFLORVSJFHAV-NSHDSACASA-N 305.120 -0.016 50 20 DBGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1781211342 QMPDDJDYHUYQMY-NOZJJQNGSA-N 320.773 -0.856 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCNS(C)(=O)=O)s1 147476155 OGZZIRDNUINQIF-UHFFFAOYSA-N 320.396 -0.450 50 20 DBGD CNC(=O)CN(C)CC(=O)NNC(=O)Cc1ccccc1C 270702288 IHUDTKVCQJKXSF-UHFFFAOYSA-N 306.366 -0.637 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CNC(=O)CNC(C)=O)cc1 299099147 HQSHTOLPKSCBNL-UHFFFAOYSA-N 320.349 -0.738 50 20 DBGD C[C@@H](C(=O)NNC(=O)CO)C1CN(C(=O)OC(C)(C)C)C1 497062286 JFADLIGWXZLBSC-MRVPVSSYSA-N 301.343 -0.371 50 20 DBGD O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(B(O)O)ccc1F 584932942 BYXOSUMRSKWEJB-JTQLQIEISA-N 306.146 -0.280 50 20 DBGD CC(=O)NCC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584935061 ZUPMCKSPVKUBNZ-UHFFFAOYSA-N 322.145 -0.506 50 20 DBGD CC(C)(O)CSCCNC(=O)c1ccc(B(O)O)c(F)c1 584948017 HNEKMQJOSZLVHI-UHFFFAOYSA-N 315.175 -0.261 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 585000836 OFRFFWNSHMBNSR-UMNHJUIQSA-N 307.130 -0.262 50 20 DBGD CC(=O)N1CCC(CNCc2ccc(B(O)O)cc2F)CC1 585022327 WZIDRERSAFJAOO-UHFFFAOYSA-N 308.162 -0.146 50 20 DBGD Cn1ccnc1[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)CCO1 585044891 WLQMLDVWQUOUQA-PWSUYJOCSA-N 305.143 -0.297 50 20 DBGD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](B(O)O)C1 585072518 BUOQVCYRASSMAQ-ZETCQYMHSA-N 315.116 -0.705 50 20 DBGD COc1ccc(O)c(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1 728437743 WQQRGDYUDSZRBN-QMMMGPOBSA-N 315.351 -0.211 50 20 DBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)C1CCC1 732246719 YHWGOJKWJRWHQQ-UHFFFAOYSA-N 306.388 -0.555 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 736939623 KFUCFEWNKWUZHJ-UHFFFAOYSA-N 316.274 -0.445 50 20 DBGD COc1cccc(C(=O)NNC(=O)CCc2nc[nH]n2)c1O 755699818 MHEBUEWMWJBQAG-UHFFFAOYSA-N 305.294 -0.087 50 20 DBGD CN1CC[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1=O 772990079 CIVSOANAWSSAOI-JTQLQIEISA-N 315.333 -0.145 50 20 DBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)C(C)C 776944933 WULURNYUAVPANK-MNOVXSKESA-N 303.359 -0.207 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1 788175511 UATRLADFCSCNCU-SNVBAGLBSA-N 303.326 -0.564 50 20 DBGD COc1ccc(NC(=O)NNC(=O)CS(C)(=O)=O)cc1 802061128 KTBUITAGFJXWQL-UHFFFAOYSA-N 301.324 -0.108 50 20 DBGD Cn1cc(C(=O)NN=C2C(=O)NC(=O)NC2=O)c2ccccc21 814216920 ILEFJZCWNDJKBN-UHFFFAOYSA-N 313.273 -0.370 50 20 DBGD O=C(CNC(=O)c1ccco1)NN=C1CCS(=O)(=O)CC1 814826826 IXTMBDXRFRJWNM-UHFFFAOYSA-N 313.335 -0.310 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N1CCO[C@@H](C(=O)O)C1 818626471 PDJVZCRYWNLYKJ-LLVKDONJSA-N 323.305 -0.165 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)NCCN1CCNCC1 841920069 DUVIHYMDJLWGKP-UHFFFAOYSA-N 323.372 -0.396 50 20 DBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCCCO1 850462769 RMFRZWLTQZOXNV-SNVBAGLBSA-N 323.353 -0.134 50 20 DBGD O=C(NN=C1CCCn2nccc21)N[C@@H]1CCS(=O)(=O)C1 853292192 PNDVDIFLUIZXBP-SECBINFHSA-N 311.367 -0.133 50 20 DBGD C=C[C@H](O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 854224688 UQJMFFLSAAASPD-VIFPVBQESA-N 312.351 -0.712 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 855828623 GZWOXRBIOUUCDH-VIFPVBQESA-N 312.370 -0.645 50 20 DBGD CO[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1 862464393 XYTLIQYMCNHKTN-JQWIXIFHSA-N 309.297 -0.061 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](C#N)CCc1ccccc1 863465164 VSOMFXZFYHPTBL-LBPRGKRZSA-N 323.374 -0.049 50 20 DBGD C=CCC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCC 863885003 FEYGOCBMJCIMRE-ZDUSSCGKSA-N 305.139 -0.006 50 20 DBGD COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@@H](B(O)O)C1 864232014 VGWVHTSBECQAQA-MXWKQRLJSA-N 319.188 -0.403 50 20 DBGD C[C@H]1CCCN1CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 897475715 AVDXJYDVGDXLCZ-AAEUAGOBSA-N 318.443 -0.148 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)CN1CSCCSC1 900603562 XOMQFIDJOQEYFX-UHFFFAOYSA-N 315.424 -0.203 50 20 DBGD CO[C@@]1(C(=O)NNc2ccnc(F)c2)CCS(=O)(=O)C1 1119565125 YMLLLHXFTGYSAB-NSHDSACASA-N 303.315 -0.133 50 20 DBGD CCOC(=O)C1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1319097533 FBPHVACVDQZUFE-UHFFFAOYSA-N 320.305 -0.489 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCc2ccc(C(N)=O)cc2)cn1 1321919429 ARJCQNSNGFNBQB-UHFFFAOYSA-N 316.321 -0.337 50 20 DBGD Cn1nncc1NC(=O)C(=O)NNC(=O)Cc1ccccc1F 1323907831 XPCVKRXBDYLNJH-UHFFFAOYSA-N 320.284 -0.717 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cnnn1C 1323907869 ZNUFEMNCGGOEAW-UHFFFAOYSA-N 302.294 -0.477 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CCS(=O)(=O)C1 1325289669 PCVDGOFWDKHGQS-RKDXNWHRSA-N 305.356 -0.927 50 20 DBGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1C 1328220534 MKPBZMBUZOUJNW-UWVGGRQHSA-N 323.353 -0.452 50 20 DBGD C[C@H](NC(=S)NNC(=O)COCc1nncn1C)C1CC1 1334459685 VEDBPGLAHGMWBM-QMMMGPOBSA-N 312.399 -0.375 50 20 DBGD CS(=O)(=O)Nc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 1335432874 NZISOHUXKMUSBI-JTQLQIEISA-N 312.156 -0.253 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)c(O)n1 1337961371 PKKRHTPEHHZMBZ-UHFFFAOYSA-N 315.289 -0.110 50 20 DBGD C[S@@](=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1348388381 OZGPJSTZHLEYDZ-CHNSCGDPSA-N 309.347 -0.536 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)NNC(=O)C(=O)O 1589992758 ZXBKCBWPZRONJS-SSDOTTSWSA-N 316.314 -0.589 50 20 DBGD O=[N+]([O-])c1ccc(N2CC[C@@H](B(O)O)C2)c(-c2nn[nH]n2)c1 1593475984 HTNWLDBBYANIIH-SSDOTTSWSA-N 304.075 -0.172 50 20 DBGD O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(B(O)O)c1 1601422462 QTWDECVHODPFON-AWEZNQCLSA-N 313.118 -0.208 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1n[nH]c2c1CCC2 101526690 QKRSKCKXKVBLSO-UHFFFAOYSA-N 317.305 -0.318 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(O)c1 278565859 ITONFDNRGPBLFY-VIFPVBQESA-N 312.347 -0.104 50 20 DBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnnn2)c1C 298227666 WSUJGTKTDYYALS-NSHDSACASA-N 318.337 -0.095 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 496648017 HHVDEYMFBAKAML-UHFFFAOYSA-N 304.328 -0.392 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)NC(C)(C)C 584934593 TUGILIGZWPMFFP-QMMMGPOBSA-N 310.134 -0.462 50 20 DBGD NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584960026 HIWNTKZNRIXFSZ-JOYOIKCWSA-N 308.118 -0.721 50 20 DBGD CC(=O)NCCN(C(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584975203 LKMYMDBUHZEYNU-UHFFFAOYSA-N 310.134 -0.508 50 20 DBGD OB(O)c1ccc(CNC2CCN([C@@H]3CCCC[C@@H]3O)CC2)o1 585031723 XZNMSPGRVLSUQA-CABCVRRESA-N 322.214 -0.183 50 20 DBGD OC[C@@H](C[C@@H](O)c1ccccc1)NCc1cccc(B(O)O)c1 585034748 NKSPJZULKLYWJQ-IAGOWNOFSA-N 315.178 -0.059 50 20 DBGD O=C1CCC[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)N1 585052637 SPLPEACHPGACAS-NSHDSACASA-N 301.111 -0.372 50 20 DBGD Cn1nnc2cc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)ccc21 585056987 GFKKYWVIAQWDCJ-MRVPVSSYSA-N 310.144 -0.794 50 20 DBGD O=C(COC(=O)C1(O)CCOCC1)NNC(=O)c1ccccc1 729024502 RXDJZUCDRAXWTG-UHFFFAOYSA-N 322.317 -0.468 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](OCCO)C1 744401450 AEGSNYQGAMAQFM-LLVKDONJSA-N 301.387 -0.347 50 20 DBGD Cc1nnccc1C(=O)NNC(=O)CNC(=O)c1ccco1 753130223 PNDDVPRQNAVBOX-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)C(C)C 755955212 FENBINXQRHCDFJ-UHFFFAOYSA-N 307.353 -0.105 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)[C@@]2(CO)CCOC2)c1 763893758 YWGYKHIZSJJFIA-MRXNPFEDSA-N 321.377 -0.161 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)NCc2ccco2)n[nH]1 765588938 VFTZUQMQPZEDPY-UHFFFAOYSA-N 320.309 -0.428 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cncc(N2CCOCC2)c1 768241910 TXGYAPMSHJMIGQ-UHFFFAOYSA-N 308.338 -0.550 50 20 DBGD CN(NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(N)=O 770439884 YQOJLFZXUDFAMR-SNVBAGLBSA-N 322.300 -0.713 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1 788175509 UATRLADFCSCNCU-JTQLQIEISA-N 303.326 -0.564 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(O)c1O 790483932 NYAROCTXJYGWGJ-SSDOTTSWSA-N 314.319 -0.707 50 20 DBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 795081401 QSDNPXCAZIOBFR-CIUDSAMLSA-N 309.388 -0.867 50 20 DBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1cccc(C#N)c1 796603319 QNEFGXCFBHIYPG-UHFFFAOYSA-N 303.322 -0.874 50 20 DBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 799865133 XGCPVJZZNOLEMS-SGIHWFKDSA-N 304.368 -0.618 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 807371316 GNBBWDUANYLESP-SECBINFHSA-N 301.343 -0.599 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 826993437 PJRBEEYFZJQXII-VHSXEESVSA-N 310.358 -0.138 50 20 DBGD COCCN(C)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 848377317 IBXOPOYDUDSWDP-UHFFFAOYSA-N 304.372 -0.512 50 20 DBGD CC(C)C(=O)NCCNC(=O)NNC(=O)c1cccc(F)n1 851939064 GJFFORFJEMOSDH-UHFFFAOYSA-N 311.317 -0.063 50 20 DBGD CCS(=O)(=O)C1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1 852142015 OJMOBWAHXAAXJP-JTQLQIEISA-N 319.427 -0.313 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C(N)=S)cc2)CC1 854379269 VCOIESHHMJPGSW-UHFFFAOYSA-N 321.406 -0.077 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(OC(F)F)cn2)N1 862460156 DARJZPCVCGYBCC-MRVPVSSYSA-N 314.248 -0.277 50 20 DBGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862461299 NGYHSOWBGCJOCM-NWDGAFQWSA-N 321.333 -0.975 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)Cc2ccncc2)cn1 866319958 FQOMMIBTXKMXFA-UHFFFAOYSA-N 316.365 -0.157 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](C2OCCO2)C1 927989562 GPWAHBVROIQFLJ-VIFPVBQESA-N 309.102 -0.660 50 20 DBGD CC(C)(C)n1nccc1NC(=O)C(=O)NNC(=O)CCCN 1118480770 OFNHQWKFGQYEGK-UHFFFAOYSA-N 310.358 -0.537 50 20 DBGD CN(C)C(=O)N[C@@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118864179 LZCXOJKVGYSVFE-SNVBAGLBSA-N 323.357 -0.500 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](B(O)O)C2)c1 1118973514 ASGZAELNQDQVBI-ZETCQYMHSA-N 318.185 -0.655 50 20 DBGD Cc1c[nH]cc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1251232638 CWFZTBSXAINXEM-QMMMGPOBSA-N 300.340 -0.546 50 20 DBGD Cc1ccnc(O)c1C(=O)NNC(=O)CNC(=O)c1ccco1 1254339340 WZGQKKARBBCDQN-UHFFFAOYSA-N 318.289 -0.120 50 20 DBGD N#Cc1cc(F)c(C(=O)NNC(=O)C(=O)NC2CC2)c(F)c1 1319047785 ULOHBEOJOSNCLJ-UHFFFAOYSA-N 308.244 -0.124 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCN(CC(C)C)C1 1319432779 JYKIUCLTUXZECQ-LLVKDONJSA-N 314.386 -0.142 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cncnc1N(C)C 1323940002 DIXYJHGRWKQFNJ-UHFFFAOYSA-N 308.342 -0.325 50 20 DBGD CC[C@@H](CO)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1339037455 OKDVIQLYTXQEQM-NSHDSACASA-N 321.381 -0.141 50 20 DBGD Cn1[nH]c(C2CCNCC2)nc1=NC(=O)NNC(=O)C1CC1 1579994121 QSTHUHRLGROXHQ-UHFFFAOYSA-N 307.358 -0.733 50 20 DBGD NCCCC(=O)NNC(=O)c1ncc(Br)cn1 1580289247 GERMXYYHHNUYNO-UHFFFAOYSA-N 302.132 -0.261 50 20 DBGD C[C@H](C(=O)NNc1cccc(F)n1)n1cnc(-c2nn[nH]n2)n1 1588998574 CCYTYSHSRZCCOQ-ZCFIWIBFSA-N 318.276 -0.303 50 20 DBGD C[C@]1(NNC(=O)NC2CC(CC(=O)O)C2)CCS(=O)(=O)C1 1594060672 UDSSCWAFMZGQFL-KWPJZBAWSA-N 319.383 -0.379 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1cscc1-c1nn[nH]n1 1609557967 GJXIQZFBHBFBCK-MRVPVSSYSA-N 324.322 -0.895 50 20 DBGD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)CN1 1845997880 OVQYTENVHUCVFQ-PSASIEDQSA-N 317.748 -0.140 50 20 DBGD CCOC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 29440403 HTBYYOFGEVLEBX-NSHDSACASA-N 319.321 -0.116 50 20 DBGD CCN(CC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 53762237 VRWLYSLHWGJPDQ-UHFFFAOYSA-N 304.350 -0.061 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 145070275 HEZXCFDAFZSFMM-UHFFFAOYSA-N 314.367 -0.099 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccnc(-n3cncn3)c2)[nH]n1 151193495 WXDUWOYRJQVHFR-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD C[C@@H](OC[C@H]1CCCCO1)C(=O)NNc1ccc(C(N)=O)nn1 268300194 WQANNBWYYVKCJT-NXEZZACHSA-N 323.353 -0.007 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNc2ncccn2)c(=O)c1 279532319 LBPYEPMSVBJJRG-AWEZNQCLSA-N 303.322 -0.159 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCC(=O)N1 496759564 NYPDTUJNSBUDEP-MRVPVSSYSA-N 314.342 -0.673 50 20 DBGD COCCN(CCNC(=O)c1cc(B(O)O)ccc1F)C1CC1 584944333 RTIVUFWOUZAQPX-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]1CN1CCOCC1 584955438 NIXHVMLCKBEFJS-HNNXBMFYSA-N 318.182 -0.697 50 20 DBGD C[C@@H]1CN(CCNC(=O)c2ccc(B(O)O)cc2)[C@H](C)CO1 585005665 DCOIHNSXHKHSLE-VXGBXAGGSA-N 306.171 -0.795 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)CCN1c1ccc(F)cc1 585046290 PGRDWNYAIMIUSW-ZDUSSCGKSA-N 318.113 -0.006 50 20 DBGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCB(O)O 585056371 NTJHTPXEZHCKFP-ZETCQYMHSA-N 320.563 -0.865 50 20 DBGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCB(O)O)c1 585062073 PPKKSVWZBVPHTQ-UHFFFAOYSA-N 318.135 -0.746 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1c[nH]nc1C)C(C)C 741214993 WAOREDRWSUCSOM-NSHDSACASA-N 311.342 -0.734 50 20 DBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)Cc1ccncc1 747587071 UZQCVZAHGVWFLP-LBPRGKRZSA-N 321.381 -0.325 50 20 DBGD C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 757797610 YYIOQUBXMCKFDY-CMPLNLGQSA-N 323.397 -0.578 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 773659447 RTUHTYWXPMPXEN-UHFFFAOYSA-N 321.337 -0.530 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccc1F 779491674 SXNCHEXHXXCDRC-QPUJVOFHSA-N 323.324 -0.138 50 20 DBGD Cn1c(C=NNC(=O)C(F)F)nc2c1c(O)nc(=O)n2C 782235267 AXBFFGRATHSTSZ-UHFFFAOYSA-N 300.225 -0.912 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])cn2)n1 794086398 UKYNPQORTAMXEE-UHFFFAOYSA-N 304.266 -0.044 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 816806400 ANCSFDHPNORGFG-JTQLQIEISA-N 319.321 -0.888 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)n1 823906293 XVZVFPPJTNXNLK-MRVPVSSYSA-N 322.325 -0.433 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1CN(C2CCCCC2)C1 837316301 JMRQIXVBCWWDRO-UHFFFAOYSA-N 310.398 -0.077 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1C(N)=O 843969946 ADPUTSSSFFEQFU-ZJUUUORDSA-N 320.349 -0.230 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)Cn1nnc2c1CCCC2 847438358 CSOXEJDINRSDGF-UHFFFAOYSA-N 314.349 -0.058 50 20 DBGD O=C(CS(=O)(=O)C1CC1)NNC(=S)NCC1CCC1 855092958 VAJIMYBCEKZWEO-UHFFFAOYSA-N 305.425 -0.141 50 20 DBGD C[C@H](NC(=S)NNC(=O)C(C)(C)NS(C)(=O)=O)C1CC1 855100407 BBWYTLNSITXMPS-ZETCQYMHSA-N 322.456 -0.392 50 20 DBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNC(=O)c1cc[nH]n1 855355996 DWWLFINCWDUMLS-ZETCQYMHSA-N 321.259 -0.126 50 20 DBGD Cn1cnn(CC(=O)NC[C@@]2(C)C[C@@H]2Br)c1=O 857395138 QOWWOVCCTKLTIC-OIBJUYFYSA-N 303.160 -0.129 50 20 DBGD CCOC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 858386761 URVXQJKSJIGVAI-NXEZZACHSA-N 300.359 -0.344 50 20 DBGD Cc1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 861946036 JFGYNYBOOPYETF-VIFPVBQESA-N 322.296 -0.501 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@H]2OCCN(C)C2=O)cc1 899947506 WJKXDPRCCTZVGL-GFCCVEGCSA-N 305.334 -0.133 50 20 DBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)C(C)(C)C 912524849 ZFRRVTWTKOICQT-UHFFFAOYSA-N 304.328 -0.448 50 20 DBGD O=C(/C=C\c1ccco1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886286 SIXAUZIHHRWDGB-TYRPZCRBSA-N 313.335 -0.190 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 1117684526 ZNKWUJLZIUQJKZ-UHFFFAOYSA-N 312.351 -0.691 50 20 DBGD CCOC(Cn1ncc(C(=O)NN(C)C(N)=O)c1N)OCC 1321485434 LDECXXZKFBOQJS-UHFFFAOYSA-N 314.346 -0.480 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSc1n[nH]c(O)n1 1326384284 XBFNUOBMOOGCMV-PHDIDXHHSA-N 301.328 -0.825 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CCC(=O)OC(C)C 1326808984 DTTGRKJEWHSAPE-QMMMGPOBSA-N 303.315 -0.390 50 20 DBGD CCN1CCC[C@@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1328719951 ZEBXOZULQKSHPW-WDEREUQCSA-N 311.386 -0.673 50 20 DBGD COCCONC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1328967414 IUSKRGXZHPRPHT-GMSGAONNSA-N 309.160 -0.030 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)N[C@@H]1CC2(CNC2)n2ccnc21 1580736285 RDQVTGPQBDYOAB-NXEZZACHSA-N 320.353 -0.864 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)C1=O 1598623309 DEFKUOHILPTVFB-SNVBAGLBSA-N 311.269 -0.176 50 20 DBGD COC(=O)c1cccc([C@@H](NNC(=O)C(=O)O)C(=O)OC)c1 1598994453 FTAMFCFENCAEGE-SECBINFHSA-N 310.262 -0.607 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)O[C@H]1C(=O)O 1599875911 IVMGUFOQZJWFSE-NQMVMOMDSA-N 309.326 -0.136 50 20 DBGD Cn1ccc2cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c21 1610609215 FFONNZCWLPQVFU-UHFFFAOYSA-N 304.262 -0.651 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccccc1F 264160758 SLBBIINYPIWDEQ-QMMMGPOBSA-N 317.342 -0.547 50 20 DBGD CCOC(=O)c1cc(NC(=O)NNC(=O)CN(C)C)cn1C 274858206 STOOTQQUSDBRAQ-UHFFFAOYSA-N 311.342 -0.084 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 298814022 QTTMXIGCCKIQTI-CQSZACIVSA-N 310.354 -0.100 50 20 DBGD C[C@@H]1Oc2ccccc2N(CCC(=O)NNC(=O)CO)C1=O 367732289 VENOMEFPLHOHEN-VIFPVBQESA-N 307.306 -0.670 50 20 DBGD COC(=O)N1CCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 490676286 XKIHHKGUJMCDHV-VIFPVBQESA-N 317.367 -0.245 50 20 DBGD COC(=O)NCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 491418136 NCULVSXJIIHFMT-UHFFFAOYSA-N 317.305 -0.011 50 20 DBGD CCOC(=O)N[C@@H](C(=O)NNc1nccn(C)c1=O)C(C)C 493052762 NVBREKGRBXBXBV-SECBINFHSA-N 311.342 -0.006 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](C)N1CCOCC1 584941621 MFEWAXCOFFNFOW-NWDGAFQWSA-N 306.171 -0.795 50 20 DBGD CC(C)OC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 584975430 DMAFSSZHPLVERN-AWEZNQCLSA-N 307.155 -0.368 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@@H]1[C@H]1CCCO1 584988568 PZNXEIGSDVYOHY-ZIAGYGMSSA-N 323.129 -0.475 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](C(F)(F)F)[C@H]1CO 584989506 FHWMQDDPGRUKLT-WDEREUQCSA-N 317.072 -0.248 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 741092274 BCLTWEVZQDRNKP-VHSXEESVSA-N 321.399 -0.291 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 745834110 LNRFVFKWNYDCDN-UHFFFAOYSA-N 311.327 -0.873 50 20 DBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)Cc1ccncc1 747587070 UZQCVZAHGVWFLP-GFCCVEGCSA-N 321.381 -0.325 50 20 DBGD N#CCCN(C(=O)CCC(=O)NNC(=O)CO)c1ccccc1 753440171 XUKXRPWHYOHIBQ-UHFFFAOYSA-N 318.333 -0.147 50 20 DBGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)CO)C1 753445097 FRVZVNNWXVXODG-SNVBAGLBSA-N 300.359 -0.796 50 20 DBGD COCCOc1cc(NC(=O)NNC(=O)CO)ccc1OC 755697586 QKCXTXKCIQOUGW-UHFFFAOYSA-N 313.310 -0.135 50 20 DBGD C[C@@H](CNS(=O)(=O)CBr)N1CCN(C)CC1 769934046 NAVBRSXIZQHOCA-VIFPVBQESA-N 314.249 -0.106 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1(N(C)C)CCC1 783005699 DLIYCYBEZGCXKZ-NSHDSACASA-N 316.402 -0.147 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 808045110 BVJDDXMYLVHXNU-UHFFFAOYSA-N 324.399 -0.254 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)nn1C1CCCCC1 810389385 FAVSPWCVCRLQMB-UHFFFAOYSA-N 323.353 -0.225 50 20 DBGD CCCNC(=O)NNC(=O)CCn1cnc2c(N)ncnc21 823955842 KXAZAXNOSSPLCV-UHFFFAOYSA-N 306.330 -0.461 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)C[C@H]1COCCN1 843437072 NEWADXBYMYOCOA-JTQLQIEISA-N 313.379 -0.088 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 843659008 GYBRDLBMKALVFV-RKDXNWHRSA-N 306.384 -0.228 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCCS2(=O)=O)n1 847289201 AGOCLQNGMLGWAN-SNVBAGLBSA-N 314.367 -0.775 50 20 DBGD CC(=O)N[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1 852712190 HXAMRUUSISQBAL-SECBINFHSA-N 309.301 -0.215 50 20 DBGD COCCCNC(=S)N(C)NC(=O)Cn1cccnc1=O 854280005 NDMUPTSTOFNWHX-UHFFFAOYSA-N 313.383 -0.883 50 20 DBGD O=C(NNc1nccnc1C1CCC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 854459074 DOARKBXWOYEOHD-NQBHXWOUSA-N 320.349 -0.400 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ncc(Cl)cn1 857355719 KKTNWJKAABWBQZ-MRVPVSSYSA-N 319.774 -0.003 50 20 DBGD COc1ccccc1CONC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858424232 LRYPERDERUMVCV-JTQLQIEISA-N 322.321 -0.264 50 20 DBGD COC(=O)CCCN1CCC(=NNC(=O)[C@@H]2CCC(=O)N2)CC1 863148829 LAGMGPPXNVJDQO-LBPRGKRZSA-N 324.381 -0.214 50 20 DBGD CCN1CCOC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 875062489 LZLZDMHINLOJDZ-VXGBXAGGSA-N 319.427 -0.801 50 20 DBGD CC(=NNC(N)=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916248811 QPMUBFPCRYIQLT-UHFFFAOYSA-N 314.323 -0.558 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-n3cncn3)nc2)cn1 1251915095 QPILFNXAGOMZIR-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD C[C@H](CO)CCCNC(=O)NNC(=O)C(=O)N1CCCC1 1253712630 NRLBKDOOFOPLFB-JTQLQIEISA-N 300.359 -0.652 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCN3CCC[C@@H]3C2)cn1 1321920959 PUQABGIQBAZMIA-NWDGAFQWSA-N 306.370 -0.009 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)C[C@H]2CCCOC2)cn1 1325848809 NFBACDALQXCCAO-VIFPVBQESA-N 302.356 -0.589 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc(CCOC)n1N 1339513422 QHSUGZODTWEKMD-ZETCQYMHSA-N 316.387 -0.781 50 20 DBGD COc1c(NC(=O)C(=O)NNC(=O)C(C)C)cccc1C(N)=O 1342586280 INQCZIQAAUDPKD-UHFFFAOYSA-N 322.321 -0.464 50 20 DBGD CC(C)NC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1589724339 KHXGJAOWTQHRSB-UHFFFAOYSA-N 319.329 -0.588 50 20 DBGD CCCNC(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1595926358 ZMZYLCWVGASGAB-MRVPVSSYSA-N 300.315 -0.950 50 20 DBGD COCCOCC(=O)NNC(=O)Nc1cc(C(=O)O)n(C)c1 1599248404 XHYLYYPHJJRYAT-UHFFFAOYSA-N 314.298 -0.461 50 20 DBGD COC(OC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 1605012863 SFADIIICHNOTSC-UHFFFAOYSA-N 313.705 -0.023 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(OC)c1 1610190339 MFDQOGUFUBYOBX-UHFFFAOYSA-N 304.280 -0.057 50 20 DBGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C(=O)NC2CC2)c1C 9889294 ONJUKUPCBZELAB-UHFFFAOYSA-N 322.321 -0.542 50 20 DBGD CNc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1[N+](=O)[O-] 9889377 QWYLTIRYTNEQSE-UHFFFAOYSA-N 321.293 -0.324 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)NCc1ccco1 49162628 CGPQETRJKHKTQR-UHFFFAOYSA-N 304.328 -0.951 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H](C)S(C)(=O)=O 55354663 ZYBHURCBMPEACY-VIFPVBQESA-N 314.363 -0.182 50 20 DBGD CN(C)C(=O)CCNC(=O)NNC(=O)c1ccc(C#N)cc1 140749928 DMZPYTZIZKHWEC-UHFFFAOYSA-N 303.322 -0.019 50 20 DBGD O=C(CO)NNC(=O)CCCN1CCN(c2ccccc2)CC1 182743337 FRPIELZKLQZUJU-UHFFFAOYSA-N 320.393 -0.272 50 20 DBGD CN1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 263670817 IVEQIMJPBYMPKV-VIFPVBQESA-N 310.379 -0.281 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)nc1 274879082 HEFFQMIXYDBYDO-UHFFFAOYSA-N 315.355 -0.801 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)C(=O)NC3=O)O1 294062787 ZZGWQXSVOBSPNT-CPCISQLKSA-N 317.301 -0.101 50 20 DBGD CC(C)CC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 298817937 YRYJDNSUDUTSGV-NUZBWSBOSA-N 319.361 -0.013 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNC(=O)C2CCC2)C1 497100323 QKYZBHMUFCUMTJ-UHFFFAOYSA-N 313.354 -0.084 50 20 DBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N1CCCCC1 584986188 WBWHDMROARAATO-LLVKDONJSA-N 304.155 -0.503 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)Cc2cccnc2)CCO1 729050363 TZXRXWCOKNIISD-GFCCVEGCSA-N 321.381 -0.325 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735474230 INNWTFABBCXXAF-ZETCQYMHSA-N 317.309 -0.848 50 20 DBGD O=C(O)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 738556803 URUDEWQCHAWSJV-UHFFFAOYSA-N 307.310 -0.685 50 20 DBGD CC(=O)NN=C1NC(=O)[C@@H](CC(=O)NCCCN(C)C)S1 743277770 UXAQLCUZJRADNM-SECBINFHSA-N 315.399 -0.917 50 20 DBGD COCC(=O)NNC(=O)Nc1ccccc1OCCC(N)=O 756068528 WOFWNKFXPWJWFX-UHFFFAOYSA-N 310.310 -0.260 50 20 DBGD CCOCc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 764304177 VURLYTPUGYVNKB-UHFFFAOYSA-N 309.322 -0.045 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cnccn2)nn1 772839850 CPLFRTCNDVHDQC-UHFFFAOYSA-N 303.282 -0.605 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)N2C(=O)CCC2=O)n1 794080365 PRWAMZLTTPQLEX-SECBINFHSA-N 304.306 -0.311 50 20 DBGD COC[C@H](O)CNC(=O)NNC(=O)c1c(C)nc2ccccn12 801738220 MUVNQCIMAILQSH-SNVBAGLBSA-N 321.337 -0.406 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](CO)[C@@H](O)C2)cc1 808751940 QAATXOPZQKBVBT-KBPBESRZSA-N 321.377 -0.569 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 841399901 OHEJEOUBMFGWRP-PELKAZGASA-N 317.305 -0.479 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1-n1cnnn1 843647890 ORTBCNSSTBVKOO-VHSXEESVSA-N 316.321 -0.152 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843651478 MZRDGAZAZJEWER-SFYZADRCSA-N 310.310 -0.320 50 20 DBGD O=C(NNc1nccnc1C1CCC1)[C@H]1CCS(=O)(=O)N1 846154138 KNCLNZHCSKJQFD-SECBINFHSA-N 311.367 -0.121 50 20 DBGD CNC(=S)N(C)NC(=O)CNC(=O)COc1ccccc1 854929432 HIQYDGPQUCJZPC-UHFFFAOYSA-N 310.379 -0.351 50 20 DBGD CCN1CCCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858211622 FCFFHJJVGPNGQT-GHMZBOCLSA-N 311.386 -0.530 50 20 DBGD CC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)nc1C 862461499 PYHWVPDXGOTDTR-GFCCVEGCSA-N 318.333 -0.059 50 20 DBGD COC(=O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 863872669 WVIWGOJQPZFIEZ-VIFPVBQESA-N 309.102 -0.469 50 20 DBGD O=C(N[C@H]1CCCCC12OCCO2)c1cc(B(O)O)ccc1F 863876212 QNGAKTHDQDVWCO-ZDUSSCGKSA-N 323.129 -0.079 50 20 DBGD CCS(=O)(=O)N1CCN(S(=O)(=O)CCCCl)CC1 881845023 YMNYAGIKKUMELS-UHFFFAOYSA-N 318.848 -0.088 50 20 DBGD N[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@@H]1C(F)(F)F 903541180 SRIISXMDELBEIZ-DTWKUNHWSA-N 308.304 -0.245 50 20 DBGD NC(=O)c1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 920384021 IOTHKVWUNHSSBZ-LLVKDONJSA-N 324.362 -0.394 50 20 DBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1116623867 ZXWAQSUYMKHWBW-UHFFFAOYSA-N 309.322 -0.056 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 1261843642 MYZHMPXKTWNTJH-QMMMGPOBSA-N 314.128 -0.894 50 20 DBGD CN(CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C(=O)C1CC1 1324348435 LKXZMHZEONLVSL-NSHDSACASA-N 317.411 -0.653 50 20 DBGD CNS(=O)(=O)N1CCC(C(=O)NCCCSC#N)CC1 1328369175 NRBLJGVLSDHPHH-UHFFFAOYSA-N 320.440 -0.117 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1ccccc1O)S(C)(=O)=O 1341112101 QGBXYJBDTVJZKQ-QMMMGPOBSA-N 315.351 -0.231 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)Cc1cccnc1 1349061339 KDMVMNFPAFJJFT-GXSJLCMTSA-N 321.337 -0.589 50 20 DBGD COCC1(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1349433755 RWJWDEMTHOSXCG-SECBINFHSA-N 304.368 -0.615 50 20 DBGD CC1=C(C)C(=O)N(CCC(=O)NNC(=O)CCCCCN)C1=O 1576553216 KEZBGEALGJGHAE-UHFFFAOYSA-N 324.381 -0.252 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)C1=NO[C@]2(CCNC2)C1 1580558043 OFEIEWWRATUWAR-OAHLLOKOSA-N 317.349 -0.246 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1)[C@H]1CCN(Cc2ccccc2)C1=O 1580733122 MKAKYAGAYRKOHS-CHWSQXEVSA-N 316.361 -0.456 50 20 DBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2nn[nH]n2)cc1 1588772330 MRVQRHXASXQWDU-LLVKDONJSA-N 313.321 -0.015 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1F 1603166791 UBPBJILRUJCGOZ-UHFFFAOYSA-N 308.273 -0.462 50 20 DBGD Cn1cc(-c2nn[nH]n2)c(NC(=O)NN=c2cc[nH]cc2)n1 1606222811 SSQDPFUWAYKXBU-UHFFFAOYSA-N 300.286 -0.434 50 20 DBGD COc1cccc2c1OC[C@@H](NC(=O)NNC(=O)C(=O)O)C2 1610363588 GAVQFELBVCZIPJ-QMMMGPOBSA-N 309.278 -0.586 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1cncc(Cl)c1 1610783795 SFWJXWZVVJCHQO-UHFFFAOYSA-N 308.703 -0.688 50 20 DBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)O 1800751803 YDENFHYZESUXRG-LDMBFOFVSA-N 318.801 -0.026 50 20 DBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)O 1800751804 YDENFHYZESUXRG-RMPHRYRLSA-N 318.801 -0.026 50 20 DBGD CC[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 263679922 KALSIMQVOYLWLD-JTQLQIEISA-N 324.337 -0.139 50 20 DBGD CCN1CCN(CC(=O)NNc2cccc(OC)n2)C(=O)C1=O 272472995 ATVLMYFHFZJDLB-UHFFFAOYSA-N 321.337 -0.776 50 20 DBGD CCn1nncc1C(=O)NNC(=O)CNC(=O)c1cccs1 293044558 MIEJCEAAWAYHJK-UHFFFAOYSA-N 322.350 -0.450 50 20 DBGD O=C(NNC(=O)c1ccc2[nH]nnc2c1)C(=O)N1CCCC1 299586925 SCXNHNQYEYYIDU-UHFFFAOYSA-N 302.294 -0.659 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 584955093 NZXNGEUHHUERSB-DMTCVQMQSA-N 305.114 -0.245 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 584958911 UZUPTORAJPNOJN-ZIAGYGMSSA-N 323.129 -0.475 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCOC2(CCOCC2)CC1 584978841 YMHQDPIZRXPLLU-UHFFFAOYSA-N 319.166 -0.222 50 20 DBGD O=C(N[C@H](CO)[C@@H]1CCCOC1)c1ccc(B(O)O)c(F)c1 585002373 SWUHNUFYODECAJ-ZWNOBZJWSA-N 311.118 -0.977 50 20 DBGD CCN1CCN(CCCNCc2ccc(B(O)O)cc2)CC1 585033007 UHRIJFLDCXOQHJ-UHFFFAOYSA-N 305.231 -0.516 50 20 DBGD O=C([C@@H]1CC[C@H](NCc2ccc(B(O)O)o2)C1)N1CCCC1 585039275 PUKNPNRBBMTONQ-NEPJUHHUSA-N 306.171 -0.160 50 20 DBGD Cn1cc(CC(=O)NNC(=O)COc2ccccc2O)cn1 730779234 YPSQAZGBIJNHOU-UHFFFAOYSA-N 304.306 -0.105 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1=COCCO1 738136328 JIYFEXGRMFGHPK-UHFFFAOYSA-N 316.277 -0.484 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 743254644 QQXGDVJMOQQPGN-UHFFFAOYSA-N 320.714 -0.103 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)Cc1ccncc1 747502714 YYDVUYQFVZUCHZ-UHFFFAOYSA-N 307.354 -0.177 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1cccc(C#N)c1)S(C)(=O)=O 754111817 WSKQUTYMWHGNCA-VIFPVBQESA-N 324.362 -0.065 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)CCc2ccccc2O)CCN1 754467982 ZOEUWGCHXUAHDG-LLVKDONJSA-N 305.334 -0.002 50 20 DBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCO1 758036408 RWPBQYPVYYYWSF-LPEHRKFASA-N 321.399 -0.723 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)CC(C)C 772022296 MQQCADSLFRMGGG-SECBINFHSA-N 322.383 -0.454 50 20 DBGD COc1cccc(NNC(=O)c2ccc(S(N)(=O)=O)nc2)n1 780768664 XWFCENMHBWYXKY-UHFFFAOYSA-N 323.334 -0.111 50 20 DBGD CC(C)N(C)C[C@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 812512024 QEFZNIFTFCLXKM-NSHDSACASA-N 313.402 -0.332 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)c2ccccc2)C1=O 822593196 UNPNHWPMYMIMSE-SNVBAGLBSA-N 304.306 -0.222 50 20 DBGD CN1N=C(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1=O 826052254 RFJCVLLSOQWZIA-UHFFFAOYSA-N 314.309 -0.082 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 826744449 KQBWTOHDGFSVEH-CBAPKCEASA-N 300.315 -0.808 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@H](n2cncn2)C1 827284074 UCNUDOSJPDAPFS-GARJFASQSA-N 308.342 -0.309 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 830052735 PDGZTZKWNAYNID-HIFRSBDPSA-N 313.398 -0.301 50 20 DBGD CC1=C(C(=O)NNC(=O)C2CCC2)[C@H](C)n2nnnc2N1C 847481884 DZPGKQVKHWKVRS-QMMMGPOBSA-N 305.342 -0.095 50 20 DBGD O=C(Cn1cncn1)NNC(=O)c1cc(Br)c[nH]1 849193291 DWLAYKPACQDUCS-UHFFFAOYSA-N 313.115 -0.170 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)N=c1cc[nH]cc1 858974129 QFPSYYFJVZAXKY-QMMMGPOBSA-N 310.314 -0.753 50 20 DBGD CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 860444669 KTDGJKZKYBKRSG-SECBINFHSA-N 306.326 -0.421 50 20 DBGD COc1cccc(NC(=O)C(=O)NNC(=O)CCCN)c1C 861507437 WSRTVDCLIFJPDO-UHFFFAOYSA-N 308.338 -0.172 50 20 DBGD Cc1ccnn1CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 863853714 CPWJYBQIIUXVRI-STQMWFEESA-N 323.397 -0.162 50 20 DBGD CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(B(O)O)c2)C1 863872183 BHJAJDSNBQRNAI-UHFFFAOYSA-N 320.154 -0.285 50 20 DBGD O=C(NNC(=O)C1CCOCC1)N[C@@H]1CC(=O)N(C2CC2)C1 883498508 QDUXZIJENKPSML-SNVBAGLBSA-N 310.354 -0.493 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 919682659 IZVYGRFPHUDBKD-UHFFFAOYSA-N 300.336 -0.109 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCN1CCc2ccccc2C1 1318877588 SVHQDHLKSYYXNU-UHFFFAOYSA-N 320.349 -0.452 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(=O)n(CC)c1 1320726986 WWXFYRXVRKFQJC-UHFFFAOYSA-N 309.326 -0.501 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccnc(O)c1 1321141984 IPEKISZNRQEUME-QMMMGPOBSA-N 300.340 -0.435 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)N=c2cc[nH]cc2)n1 1326210661 JWJSKQZYKADZBV-UHFFFAOYSA-N 318.341 -0.041 50 20 DBGD COCc1nc(C(=O)NNC(=O)CS(C)(=O)=O)cs1 1331834637 RTTKJLOOZUHSDH-UHFFFAOYSA-N 307.353 -0.905 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2cnn(C[C@@H](O)CO)c2)n1 1333781928 CRHCPFVZTFGPEE-LLVKDONJSA-N 306.326 -0.600 50 20 DBGD O=C(c1ccc(N2CC[C@@H](B(O)O)C2)nc1)N1CCOCC1 1334046729 PMHUNNRJBCAYEQ-GFCCVEGCSA-N 305.143 -0.393 50 20 DBGD CC(C)n1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1338977276 QNWGCXKXTSIVGB-SECBINFHSA-N 314.367 -0.340 50 20 DBGD CC(C)n1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1338977279 QNWGCXKXTSIVGB-VIFPVBQESA-N 314.367 -0.340 50 20 DBGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)c1cccc(F)n1 1351229234 CEZGQRTXZCTGER-QMMMGPOBSA-N 313.310 -0.070 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1cccc(Cl)n1 1521737998 UUOSBEXTGMSUHC-KOLCDFICSA-N 323.784 -0.116 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cn(C)nn1)[C@H](N)c1ccccc1 1575072304 TYBUVXHZKMHWTC-CABZTGNLSA-N 302.338 -0.088 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CNC[C@H]2O)cc(C#N)n1C 1579529662 LJOYIIOSIBOPQH-ZYLMOKOTSA-N 313.361 -0.191 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3C[C@H]4CC[C@@H]3N4)nc21 1580009363 QKQBLIVRPOHNPT-FJXKBIBVSA-N 303.326 -0.348 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1csc(-c2nn[nH]n2)c1 1582561698 RFKAWSGCOPUSDW-SSDOTTSWSA-N 324.322 -0.895 50 20 DBGD CCOC(=O)C1CCC(NC(=O)NNC(=O)C(=O)O)CC1 1596568070 GEYQUBKAJKMOMC-UHFFFAOYSA-N 301.299 -0.477 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C(=O)O)nc2)CC1 1598609057 JZVXYHFUYTYPBD-UHFFFAOYSA-N 307.310 -0.618 50 20 DBGD O=C(O)c1occc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1602588379 TWRWZEZVNWHYFR-QMMMGPOBSA-N 300.292 -0.137 50 20 DBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)[C@H]2COCCO2)c1 1611506522 HPRSUSVYFAQJJJ-LLVKDONJSA-N 323.305 -0.118 50 20 DBGD CCn1c(=O)[nH]c2cc(C(=O)NNC(=O)C3CC3)ccc2c1=O 48381461 VLUCGRKWOIDOKW-UHFFFAOYSA-N 316.317 -0.119 50 20 DBGD CCn1nccc1C(=O)NNC(=O)CNC(=O)c1ccco1 130399055 CHNXMXKPBYFZGM-UHFFFAOYSA-N 305.294 -0.313 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(C)(=O)=O 265066176 MVBYNDRTMUNECA-UHFFFAOYSA-N 313.379 -0.279 50 20 DBGD CNC(=O)NNC(=O)C[C@H](CNC(=O)OC(C)(C)C)OC 277647816 FEKBUKUSEBKSTL-MRVPVSSYSA-N 304.347 -0.124 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 281232731 NAEMTTZTJGBANB-QMMMGPOBSA-N 322.456 -0.368 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NN=Cc1c[nH]c(=N)[nH]c1=N 496820208 NDSBPSTZSZXCBL-UHFFFAOYSA-N 309.330 -0.723 50 20 DBGD OB(O)c1ccc(OCc2nnn(CC(F)(F)F)n2)cc1 584909376 BUTDTSOUHWPZKX-UHFFFAOYSA-N 302.021 -0.506 50 20 DBGD CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCS(=O)(=O)C1 584927261 PHHBBLCAZKNMIC-GFCCVEGCSA-N 311.168 -0.984 50 20 DBGD CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584974438 OUKKTYSXFRZITA-CYBMUJFWSA-N 322.145 -0.412 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N(CCO)C1CCSCC1 584983753 ORLXXJTYFQOSID-UHFFFAOYSA-N 309.196 -0.304 50 20 DBGD OB(O)c1ccc(CNC[C@H](O)COCc2ccccc2)o1 585021287 IINRKXCAJSQPKM-ZDUSSCGKSA-N 305.139 -0.373 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN(C2CC2)C1 734285481 NXDRPGRZBDVHJU-JTQLQIEISA-N 309.370 -0.824 50 20 DBGD CC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1CCCC1=O 743328670 UIKOXIFUZKWWOT-JTQLQIEISA-N 310.354 -0.843 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](O)C2)cc1 744383815 DFKIJVUDSNGJFZ-ZDUSSCGKSA-N 302.334 -0.224 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 744404294 MYPGFVQIADBEDK-UHFFFAOYSA-N 315.333 -0.907 50 20 DBGD C[C@H]1CN(CCNC(=O)NNC(=O)Cc2ccncc2)CCO1 747583401 DDPBCSFEKRUZIF-LBPRGKRZSA-N 321.381 -0.325 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)[C@H]1CCOC1 748632505 DTZXKPPVBBOUJX-MXWKQRLJSA-N 303.359 -0.207 50 20 DBGD NC(=O)c1cccc(NC(=O)NNC(=O)Cc2cc[nH]n2)c1 755516930 VCVPLUMILXPSMY-UHFFFAOYSA-N 302.294 -0.096 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)c(OC)cc1C 773495881 GUTKQFHQSUHYCJ-UHFFFAOYSA-N 313.285 -0.125 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN(C)C(N)=O 778415091 OSNGTRXKIBAUDU-SECBINFHSA-N 306.388 -0.378 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(N)=O)c(Cl)n1 806816025 HFQYXYNWWRTYNS-UHFFFAOYSA-N 322.712 -0.060 50 20 DBGD CCCNC(=O)NNC(=O)CSc1nnc(CCC)n1N 813426171 SMNZYXNRYVTKKV-UHFFFAOYSA-N 315.403 -0.223 50 20 DBGD Cn1cc(C=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)nn1 814964000 LZEMOOXKYRVQKT-UHFFFAOYSA-N 323.338 -0.382 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 833246863 SXJPSEHDCMHCPI-GXSJLCMTSA-N 321.337 -0.521 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(N(C)C)cn1 848779245 MZRKWYANBWSMFL-QMMMGPOBSA-N 309.326 -0.355 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 852394532 UIOYDBQGZZCEQL-USZNOCQGSA-N 324.381 -0.247 50 20 DBGD CC(C)c1nnnn1CC(=O)NNC(=O)c1cccc(F)n1 856422705 BVYDSHXEUVODRI-UHFFFAOYSA-N 307.289 -0.208 50 20 DBGD C[C@H]1CCSCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858699224 MFLKWTVTBXBBGA-IUCAKERBSA-N 300.384 -0.167 50 20 DBGD Cc1csc(C(=O)NNC(=O)NC[C@H](O)Cn2ccnn2)c1 858707509 XFSLKPZFSIRBQV-VIFPVBQESA-N 324.366 -0.347 50 20 DBGD CCN1CCN(CC(=O)NN[C@@H](C)C(F)(F)F)C(=O)C1=O 862308837 FOZIJTOOAANPNN-ZETCQYMHSA-N 310.276 -0.751 50 20 DBGD O=C(NC[C@H]1COC2(CCCC2)O1)c1cc(B(O)O)ccc1F 863878253 MXIYBUKNPCBAEC-NSHDSACASA-N 323.129 -0.079 50 20 DBGD COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 863885745 NDCHCMCGQXHFPM-SKDRFNHKSA-N 309.102 -0.423 50 20 DBGD CCN1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1=O 925984765 WMVQQXDOLDBOTN-DCAQKATOSA-N 312.370 -0.247 50 20 DBGD CN1CC[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 1115832420 PNTPFGOCXQDVLF-GHMZBOCLSA-N 317.411 -0.653 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 1251402678 UVRVQPQYLZVHQL-UHFFFAOYSA-N 320.305 -0.748 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccncc1F 1252068801 GEONDQCOGQOGEO-SSDOTTSWSA-N 301.299 -0.584 50 20 DBGD Cn1ccc(NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 1321388273 HXJQVUKYRGGADK-VNOQCFOKSA-N 319.321 -0.974 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCCc3c[nH]nc32)N1 1329753674 JEHBNACOVBEIPO-IUCAKERBSA-N 306.326 -0.604 50 20 DBGD Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1334929872 FPXJLLROVAEBOO-SECBINFHSA-N 303.326 -0.013 50 20 DBGD COC(=O)C(=O)NN=C1CCN(CCN2CCOCC2)CC1 1339878647 ACCVVNXYVRMEFB-UHFFFAOYSA-N 312.370 -0.940 50 20 DBGD COC[C@@H]1COCCN1C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1340266271 SGGXPUYCWSDSEP-HBNTYKKESA-N 301.343 -0.501 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1ccsc1 1346443394 BBQSVWJHQMCQRL-ZYHUDNBSSA-N 308.407 -0.174 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1588710023 WBCAUHGWXXLNNB-HTQZYQBOSA-N 315.326 -0.231 50 20 DBGD COc1ccc2c(c1)CC[C@H](NC(=O)NNC(=O)C(=O)O)C2 1599627258 FHCKKLCZBSAKRH-JTQLQIEISA-N 307.306 -0.033 50 20 DBGD O=C(O)/C=C/c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)o1 1601876541 GYEUONGXWXIRPA-GQCTYLIASA-N 321.289 -0.239 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1602675181 LMULMOXTAPBHDE-SNVBAGLBSA-N 309.322 -0.740 50 20 DBGD Cn1nncc1NNC(=O)COc1ccccc1-c1nn[nH]n1 1606286614 SOHOFLKHIDAGTB-UHFFFAOYSA-N 315.297 -0.483 50 20 DBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)N1CCN(C)CC1 1607603173 VEONKOTZHJJRDB-UHFFFAOYSA-N 310.310 -0.112 50 20 DBGD C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787450221 NRSRMSHGVQUIRW-QHZLYTNSSA-N 322.764 -0.119 50 20 DBGD CN(C)[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 66042218 SYXJIZFUVBCRRJ-GFCCVEGCSA-N 304.350 -0.285 50 20 DBGD CN1CC[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1=O 265771753 JGRIIBPLRUTKJH-SECBINFHSA-N 316.325 -0.481 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2nnc(C3CC3)s2)C1=O 273642522 VJICLIBFCVDSKB-UHFFFAOYSA-N 310.339 -0.247 50 20 DBGD COC(=O)N(C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 286194588 DDCIYNHPHOIRRA-UHFFFAOYSA-N 312.326 -0.030 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C(F)(F)C(=O)N1CCOCC1 296160185 LIMOCPULBRFIRC-UHFFFAOYSA-N 307.297 -0.326 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccnc(-n2ccnc2)c1 299339980 DSKIIDBRSPXLGJ-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)N1CCOCC1 497161204 OYZODQHVHQTBOX-JTQLQIEISA-N 316.358 -0.170 50 20 DBGD CC(C)N1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584939540 NPZNPPQDADUDEI-LLVKDONJSA-N 308.162 -0.034 50 20 DBGD OB(O)c1ccc(CNC[C@@H](O)COc2ccc(F)cc2)o1 585019134 CQTWWZMCRUROEW-LLVKDONJSA-N 309.102 -0.372 50 20 DBGD CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cccc(B(O)O)c2)C1 585028646 MKXSQZOBSJUBST-ZIAGYGMSSA-N 311.212 -0.188 50 20 DBGD O=S1(=O)C[C@H](CNCc2ccc(B(O)O)o2)c2ccccc21 585043768 QVHHABRJBAGHCO-JTQLQIEISA-N 321.163 -0.380 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cn1 735459821 IZFBMGIGZWPVRO-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 758095335 JJXWGWDSECDQMS-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD CO[C@]1(CNC(=O)NNC(=O)Cc2ccncc2)CCOC1 763711819 VAXGQZSHTQXNGR-AWEZNQCLSA-N 308.338 -0.240 50 20 DBGD O=C(NC[C@H]1CCCCN1C1CC1)NNC(=O)C(=O)NC1CC1 765665931 FAWYPPKTCPQYFO-GFCCVEGCSA-N 323.397 -0.388 50 20 DBGD CNC(=O)Cn1nc(NC(=O)NNc2cnccn2)cc1C 770082404 UQSKQLHTAWMGCV-UHFFFAOYSA-N 304.314 -0.124 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 789943044 YYPPRYQVTATPQL-JTQLQIEISA-N 303.278 -0.286 50 20 DBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 793177033 POSSBUPNZAJENE-GUBZILKMSA-N 321.399 -0.435 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](N2CCOCC2)C[C@@H]1C 796381450 ZAQFGLYSYNYGBS-AVGNSLFASA-N 312.414 -0.273 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(F)ncc1F 807970633 QNGPZCITDCWZDH-LURJTMIESA-N 306.294 -0.252 50 20 DBGD O=C(CN1CCCC1=O)NN=Cc1ccc(-c2nn[nH]n2)o1 822996832 JWJAMTCOHFQKAM-UHFFFAOYSA-N 303.282 -0.468 50 20 DBGD CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 825731804 KKTNDUNLNOFHAI-OPRDCNLKSA-N 305.400 -0.246 50 20 DBGD CCC(CC)(CO)C(=O)NNC(=O)CNC(=O)c1ccco1 847421364 RUIXTFDSNWNEDB-UHFFFAOYSA-N 311.338 -0.045 50 20 DBGD Cc1csc(C(=O)NNC(=O)NC[C@@H](O)Cn2ccnn2)c1 858707508 XFSLKPZFSIRBQV-SECBINFHSA-N 324.366 -0.347 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)n2nc(C)cc2n1 862451964 ICCKJRVBFOHEAC-SECBINFHSA-N 316.321 -0.614 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1cn[nH]c1 862471299 ZFGBDTCLYHMZDJ-ZETCQYMHSA-N 319.243 -0.276 50 20 DBGD COc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 863413484 RIUAQQQJSUDKNY-JTQLQIEISA-N 313.335 -0.717 50 20 DBGD COC(=O)N(C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 875312445 DHLPCAVUJNYIQK-NSHDSACASA-N 301.391 -0.218 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cnn(C(F)F)c1 913730493 XLMRYYMARIHRKZ-UHFFFAOYSA-N 301.253 -0.338 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 1116603229 BBPJVABJDDTEBF-ZCFIWIBFSA-N 322.277 -0.268 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2CCNC(=O)C2)C[C@H]1Br 1118819140 COGJUOHEOOROAL-HQJQHLMTSA-N 318.171 -0.766 50 20 DBGD CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118860229 KIOLFGXNTLZWCL-HBNTYKKESA-N 311.386 -0.532 50 20 DBGD O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CC[C@H](B(O)O)C1 1261844255 IPRVDDBDHKIUMF-NSHDSACASA-N 313.122 -0.079 50 20 DBGD C[C@H]1CCCN(C(=O)C(=O)NNc2ccc(C(N)=O)nn2)C1 1322757234 PUUZXHYXNJXSDU-QMMMGPOBSA-N 306.326 -0.723 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)OCC(F)(F)F 1329416034 HMDKQNLZJMRNBV-UHFFFAOYSA-N 312.204 -0.752 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 1574103860 CGXHZGYSJFWJRE-LBPRGKRZSA-N 305.290 -0.043 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1COCCN1 1574191266 CDCPHCVMCCLAGM-SNVBAGLBSA-N 303.322 -0.608 50 20 DBGD NCC(F)(F)CC(=O)NNc1ccccc1S(N)(=O)=O 1580217443 UXTWJZCVUAVHJY-UHFFFAOYSA-N 308.310 -0.239 50 20 DBGD CN(C)C(=O)/C=C\C(=O)NNc1cccc(-c2nn[nH]n2)c1 1591000258 QQVWQFFIKBQDRN-SREVYHEPSA-N 301.310 -0.046 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)N(C)C 1591759426 GKCCHIPYRNAQSS-MRVPVSSYSA-N 303.326 -0.422 50 20 DBGD COCCNC(=S)NNC(=O)Cc1cc(O)[nH]c(=S)n1 7466342 VUUUTVFTBLARCT-UHFFFAOYSA-N 317.396 -0.471 50 20 DBGD CCNC(=O)NNC1=c2cccc(C(F)(F)F)c2=NC1=O 144026999 ALAJWBWFHOOWCW-UHFFFAOYSA-N 300.240 -0.203 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNc1nccc(OC)n1 265122414 ZXZNNGRLHIYVDU-QMMMGPOBSA-N 317.371 -0.066 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)c2ccncc2)CC1=O 266765599 HTOLFIQLJVXFIA-GFCCVEGCSA-N 319.365 -0.747 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 268286128 CLBRMXYKPPMJEO-PWSUYJOCSA-N 320.349 -0.076 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1 269079038 VSTWSQAQFUHHJF-ZETCQYMHSA-N 302.312 -0.024 50 20 DBGD CN(NC(=O)CCNS(=O)(=O)c1ccccc1)C(N)=O 271362304 NMXJVHMUZOMYRH-UHFFFAOYSA-N 300.340 -0.603 50 20 DBGD C=CCOc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 274074391 OXZQDPANKQGYJR-UHFFFAOYSA-N 320.349 -0.101 50 20 DBGD COC(=O)N1CCC(=NNC(=O)Cc2cc(O)nc(O)n2)CC1 492009197 UNPHTTADLGHKIV-UHFFFAOYSA-N 323.309 -0.235 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)cc1 496669538 YACIFFARZYANLW-PSASIEDQSA-N 320.305 -0.422 50 20 DBGD CC(C)(C)C(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584927298 FQKPWLBBEJTTLS-UHFFFAOYSA-N 318.182 -0.303 50 20 DBGD CN(CC(F)(F)F)C(=O)CNC(=O)c1ccc(B(O)O)cc1 584950140 HUBTVUONCHKKFH-UHFFFAOYSA-N 318.060 -0.883 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCS[C@H]2COCC[C@@H]21 584965833 UIGGYBPVNRFLSD-STQMWFEESA-N 307.180 -0.287 50 20 DBGD C[C@@H]1CN(CCCNC(=O)c2ccc(B(O)O)cc2)CCCO1 584984313 ZEKATLFWBTWAED-CYBMUJFWSA-N 320.198 -0.403 50 20 DBGD C[C@@H](CC(=O)NCB(O)O)S(=O)(=O)c1ccc(F)cc1 585059997 IWEDSTPDAJKCJA-QMMMGPOBSA-N 303.120 -0.494 50 20 DBGD COc1cc2c(cc1OC)CN(CC(=O)NCB(O)O)CC2 585063374 XRUWPGHYWKGHTA-UHFFFAOYSA-N 308.143 -0.810 50 20 DBGD COC(=O)c1c(S(=O)(=O)NNC(=O)C(C)(C)C)n[nH]c1C 732044865 PWLSODWXZUDDNC-UHFFFAOYSA-N 318.355 -0.140 50 20 DBGD O=C(NC[C@H]1CCCCS1)NNC(=O)C(=O)NC1CC1 753256106 QXRLXQXPBJBZDK-SECBINFHSA-N 300.384 -0.119 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1ccc(C#N)cc1)S(C)(=O)=O 754102527 WHVBCEODKLUUHC-SECBINFHSA-N 324.362 -0.065 50 20 DBGD Cc1nc([C@@H]2CCCN(CC(=O)NNC(=O)C3CC3)C2)n[nH]1 760961499 KEGHABYXYLRZIG-LLVKDONJSA-N 306.370 -0.150 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC 764316707 CZKYYHGWILLVLY-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1C)OCO2 764326796 OHVDCBPFTCUROZ-UHFFFAOYSA-N 323.305 -0.154 50 20 DBGD CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 775459913 PMQAGZUQCGZSGF-QWRGUYRKSA-N 312.370 -0.246 50 20 DBGD CN1CCN(CC(=O)NNc2ccc([N+](=O)[O-])cc2)CC1=O 780948118 DIRRFLUIFOMUIV-UHFFFAOYSA-N 307.310 -0.188 50 20 DBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 792857154 JQYQAWQGEQBTCK-LPEHRKFASA-N 306.384 -0.370 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 799925437 QTEFJWKEQNYRCH-MRVPVSSYSA-N 306.388 -0.474 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NN=c1cc[nH]cc1 816011008 DAJCPPBKQVKLGP-TXEJJXNPSA-N 300.318 -0.102 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COCCO1 823273462 OGSOOQFJSVMHRC-NSHDSACASA-N 320.284 -0.129 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)c2cc[nH]n2)n1 823853588 CSFCFTZBLYOWRS-UHFFFAOYSA-N 322.285 -0.969 50 20 DBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCl 831304534 SJSFHOHZDQDVGV-RQJHMYQMSA-N 300.764 -0.442 50 20 DBGD C[C@H]1CN(CCC(=O)O)CCN1CC(=O)NNC(=O)C1CC1 833629556 WXDNDOCGUREGAO-JTQLQIEISA-N 312.370 -0.975 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 843659716 YNKJBDKXSYEKQP-DTWKUNHWSA-N 304.368 -0.474 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862456605 ZXSNPDKZZUMFDT-XHDPSFHLSA-N 305.334 -0.026 50 20 DBGD CCSCc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)no1 862462675 ZNERKJNOPCLAGM-QMMMGPOBSA-N 312.351 -0.033 50 20 DBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cn[nH]c1 862472017 RWUMKXGDIYJUSJ-SECBINFHSA-N 311.367 -0.128 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)nn1C 863401087 OIPPFVROFYCZCO-UHFFFAOYSA-N 315.277 -0.049 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2cccc(Cl)c2)N1 863414361 UCHBEBKZJGIROQ-VIFPVBQESA-N 317.754 -0.072 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C2CCOCC2)[C@@H]1OC 883584844 ZCUNNZGMRQABIX-UTUOFQBUSA-N 315.370 -0.064 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 902943236 PYCNZRWLCQAKOG-JTQLQIEISA-N 305.400 -0.006 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)NCC(F)(F)F 920437294 WDQMBABGBCWRNA-UHFFFAOYSA-N 310.232 -0.582 50 20 DBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)OC)cn1 1320245729 IVLZALQOHTZCGV-UHFFFAOYSA-N 312.282 -0.568 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 1320478692 YCWIPWJGDUPSJK-UHFFFAOYSA-N 308.269 -0.184 50 20 DBGD COc1cc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)ncn1 1324120046 KJLSHDIFBTXPOT-UHFFFAOYSA-N 317.309 -0.026 50 20 DBGD CON=CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1324345470 PLVFQIZGLMLSPM-UHFFFAOYSA-N 303.278 -0.673 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCc2nn(C)cc21 1326996201 YGNRUASMTPETKP-VIFPVBQESA-N 307.354 -0.488 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1cccnc1)C(=O)NCCF 1327047344 ULSQYBJAZPRXRQ-VIFPVBQESA-N 311.317 -0.571 50 20 DBGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1cccc(F)n1 1327883000 ICHZDLSQZVYPAZ-UHFFFAOYSA-N 309.301 -0.309 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NNc1ccccc1 1328620766 HDESJGHGUZLUIT-UHFFFAOYSA-N 322.346 -0.002 50 20 DBGD N#Cc1ncn(CCNC(=O)NNC(=O)Cc2ccncc2)n1 1329213321 OAMBBDZJWLWKBJ-UHFFFAOYSA-N 314.309 -0.882 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)c3ccc(O)nc3)nc21 1334129940 SGVRDZKPIFYIMQ-UHFFFAOYSA-N 301.266 -0.074 50 20 DBGD COC(=O)NC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1334929898 GSHIIPURWCXOBX-UHFFFAOYSA-N 310.314 -0.416 50 20 DBGD C[C@@H]1NCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1576886977 WEKGMDNSDZUPSB-WCFLWFBJSA-N 310.398 -0.615 50 20 DBGD CC(=O)N(C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 1602918385 FAJRIEYSCUBWCJ-UHFFFAOYSA-N 322.329 -0.101 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccccc1C(=O)O 1603706074 KTWJTUSLLNYFEX-NSHDSACASA-N 309.322 -0.039 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cc(C(=O)O)cn1C 1605493332 RXQPRTUEBGOPSX-UHFFFAOYSA-N 304.328 -0.422 50 20 DBGD COC(=O)N1CCC([C@@H](C)NC(=O)NNC(=O)C(=O)O)CC1 1606490694 SWITVUJGACCFPH-SSDOTTSWSA-N 316.314 -0.732 50 20 DBGD Cc1cc(C)c(C(=O)O)cc1NC(=O)C(=O)NNC(=O)CO 1610450674 ITWQPAGUYAUALO-UHFFFAOYSA-N 309.278 -0.920 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNc1ccccc1[N+](=O)[O-] 65858236 DXAAWZAYQHGHPJ-UHFFFAOYSA-N 323.309 -0.321 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)COc2ccccc2F)C1 266771786 JPMLITTXMGXKRH-GFCCVEGCSA-N 311.313 -0.318 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 268460925 UDMHBZZCMWOZHQ-SFYZADRCSA-N 302.331 -0.242 50 20 DBGD CCOC(=O)NNC(=O)c1cc(S(=O)(=O)NC)oc1C 493100746 ZHKDMZXXPSDZPB-UHFFFAOYSA-N 305.312 -0.113 50 20 DBGD CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584938356 YQWCZLOVOAGVTC-CYBMUJFWSA-N 304.155 -0.503 50 20 DBGD COCC1(O)CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584966913 CPHFGRJUOXKXDI-UHFFFAOYSA-N 311.118 -0.881 50 20 DBGD O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(B(O)O)c(F)c1 584987979 ABBOIMUBRJHPMN-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD O=C1CCC[C@H](Cc2nc(-c3cccc(B(O)O)c3)no2)N1 585052636 SPLPEACHPGACAS-LLVKDONJSA-N 301.111 -0.372 50 20 DBGD Cc1ccc(OCC(=O)NNC(=S)NCC(N)=O)cc1C 727064524 HNQDAIVRFHKPPQ-UHFFFAOYSA-N 310.379 -0.337 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)C(C)C 747906867 VMONGRZFQHYXHF-UHFFFAOYSA-N 309.388 -0.866 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](COC)C1CC1 750445188 FKCXREQBXJLKFK-GXSJLCMTSA-N 303.359 -0.207 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 755638883 BOPUFPIDMXZWRT-LLVKDONJSA-N 322.321 -0.051 50 20 DBGD COCCN1C[C@H](C(=O)NNc2ncccc2[N+](=O)[O-])CC1=O 759301797 DIYQJQUNTAQEDR-SECBINFHSA-N 323.309 -0.072 50 20 DBGD CC(C)COc1ccccc1NC(=O)C(=O)NNC(=O)CO 764429222 QBXFTYALLIBTEF-UHFFFAOYSA-N 309.322 -0.200 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)C(C)(C)C)O1 774714470 BVBKXBSUYHJORQ-ZJUUUORDSA-N 314.386 -0.001 50 20 DBGD CS(=O)(=O)CCOCCNS(=O)(=O)CBr 782455819 WCVOZDACAVGTCR-UHFFFAOYSA-N 324.218 -0.681 50 20 DBGD COCc1ncsc1C(=O)NNC(=O)N1CCOCC1 786018442 JHOPHIDCAFZEMM-UHFFFAOYSA-N 300.340 -0.024 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@]2(CCCOC2)O1 796606076 BEWHTZMCBRWYOZ-NHYWBVRUSA-N 311.382 -0.186 50 20 DBGD COCCC(C)=NNC(=O)CSc1nnc(O)nc1O 814785141 RGGLAFOONOSUMI-UHFFFAOYSA-N 301.328 -0.097 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@](C)(O)Cc2ccccc2)CC1 819721384 RHWQYFDETFXNBH-INIZCTEOSA-N 320.393 -0.032 50 20 DBGD COCC(=O)NN[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 821680399 ICNHZTQOYCIGEO-NSHDSACASA-N 320.309 -0.652 50 20 DBGD O=C(CO)NNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 846636837 RBBHAIFDGUIVFU-TXEJJXNPSA-N 321.333 -0.169 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccc2c(c1)OCO2 854180044 HJCDTIQIIVOLOX-UHFFFAOYSA-N 316.277 -0.648 50 20 DBGD C[C@]1(CNC(=O)CN2CCNCC2=O)C[C@@H]1Br 857007623 QJJXNYKRWBUGKJ-GZMMTYOYSA-N 304.188 -0.292 50 20 DBGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450067 NGFRZMHJABECOU-YUMQZZPRSA-N 324.362 -0.708 50 20 DBGD Cc1nn(C)c2sc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc12 862450180 OOYBSAFEPOOMRJ-MRVPVSSYSA-N 321.362 -0.017 50 20 DBGD CC[C@@H](C)[C@@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)OC 863865673 JKCKKIRDWMJXSQ-QMTHXVAHSA-N 323.154 -0.551 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1cc(F)ccc1F 872383463 SXDFMBQLDIGMMR-UHFFFAOYSA-N 324.305 -0.063 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ccc(F)cn1 874648708 ZERBKKCXHVLXSA-UHFFFAOYSA-N 305.335 -0.598 50 20 DBGD NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 916665349 GGBOEZSFLDRDKF-UHFFFAOYSA-N 303.315 -0.550 50 20 DBGD O=C(NN=Cc1ccc(O)c(O)c1)N[C@@H]1CCS(=O)(=O)C1 920382072 WQGRNRQOPQWDAR-SECBINFHSA-N 313.335 -0.082 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1118864754 IGGNHSUKMCXQNI-DOLQZWNJSA-N 319.383 -0.683 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N(C)C)cc1S(N)(=O)=O 1318860463 NPYUTVJZXTWOPB-UHFFFAOYSA-N 300.340 -0.442 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCOCC(F)(F)F 1318876308 HCGPBFQQTMJMJG-UHFFFAOYSA-N 301.221 -0.541 50 20 DBGD O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)Cc1cc[nH]n1 1320114691 ZTUDRULVXCPTES-UHFFFAOYSA-N 313.317 -0.163 50 20 DBGD CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1324629579 ILUAPVIEOPMVEH-UHFFFAOYSA-N 317.323 -0.919 50 20 DBGD CNC(=O)C(=O)NNc1nc(Br)cn2ccnc12 1327637632 XGNTYYIJEACIPH-UHFFFAOYSA-N 313.115 -0.319 50 20 DBGD CN(C)C(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1330109268 USMKFXZABHHWFY-NSHDSACASA-N 318.333 -0.572 50 20 DBGD Cc1cccnc1NNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 1592264447 YDUJRUMAGUFESY-MRVPVSSYSA-N 314.313 -0.134 50 20 DBGD O=C(O)[C@H]1C[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1 1602213766 FQQIWMPGGKBMJN-AOOOYVTPSA-N 321.337 -0.133 50 20 DBGD Cn1cc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1776027835 KZNAJZUQKKOZMP-MRVPVSSYSA-N 313.335 -0.392 50 20 DBGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1781211344 QMPDDJDYHUYQMY-TVQRCGJNSA-N 320.773 -0.856 50 20 DBGD C[C@@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)n1cncn1 264838410 KNQMFDSZIHQOGA-UTUOFQBUSA-N 324.385 -0.514 50 20 DBGD CCNC(=O)N(C)NC(=O)CNC(=O)COc1ccccc1 271347480 KSPGMVWLQDIMHN-UHFFFAOYSA-N 308.338 -0.126 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 274757037 PSYUWZHBTKKRDX-UHFFFAOYSA-N 317.279 -0.305 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CSc1nnnn1C1CC1 298306719 FCUULHRLARUSDB-UHFFFAOYSA-N 321.366 -0.100 50 20 DBGD COc1ccnc(NNC(=O)CCCN2C(=O)CN(C)C2=O)n1 299069421 BXSHEICSSAJDRA-UHFFFAOYSA-N 322.325 -0.398 50 20 DBGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)CS2 370260622 ITODRYOZMDKIHX-RNCFNFMXSA-N 323.378 -0.446 50 20 DBGD CN(C)CCn1ccc(C(=O)Nc2cccc(B(O)O)c2)n1 584910912 DWWPSTMZXVIJQH-UHFFFAOYSA-N 302.143 -0.623 50 20 DBGD CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584940165 QLQZXVXSZXMLIM-NSHDSACASA-N 322.145 -0.506 50 20 DBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C(N)=O)C1 584973369 GXMPTOKWJJCVCV-QPUJVOFHSA-N 308.118 -0.769 50 20 DBGD O=C(NC[C@@H]1CCc2nccn2C1)c1ccc(B(O)O)c(F)c1 584986273 YFSCSCAWCHNUTE-JTQLQIEISA-N 317.129 -0.306 50 20 DBGD CCN1CCN([C@H](C)CNCc2cccc(B(O)O)c2)CC1 585015382 AWCYJJZEKSCZFV-CQSZACIVSA-N 305.231 -0.518 50 20 DBGD CN(CC(=O)NCc1cccs1)CC(=O)NNC(=O)C1CC1 733199876 WHXZJPXKIQSKLL-UHFFFAOYSA-N 324.406 -0.147 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1C(=O)NC1CC1 744386204 GHNMMUIELPZHAG-LLVKDONJSA-N 310.398 -0.077 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN2CCCC[C@@H]12 748461023 NUQCOAQSGGWZQS-NEPJUHHUSA-N 323.397 -0.434 50 20 DBGD CCCc1cnc(NC(=O)C(=O)NNC(=O)CN(C)C)s1 756155307 OSSPCXQYKJTQLH-UHFFFAOYSA-N 313.383 -0.257 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCSCC1 758025474 MDSDZRYNQCMNIR-SSDOTTSWSA-N 309.413 -0.785 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC 764325027 ASERODDGNQXYGF-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD CCOC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)C(C)C 788877054 SABKFYCWMDQCGC-SNVBAGLBSA-N 300.359 -0.344 50 20 DBGD Cc1ccc(SCC(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 814215018 JCCXUQMHIVWXKS-UHFFFAOYSA-N 320.330 -0.075 50 20 DBGD CC(C)(O)CN1CCC(=NNC(=O)CN2CCCC2=O)CC1 814216640 VMPQYNRJGFZUPB-UHFFFAOYSA-N 310.398 -0.052 50 20 DBGD O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC1=NCC(O)=C1 823036780 LMKLGVSAATZZQK-UHFFFAOYSA-N 315.293 -0.280 50 20 DBGD CCCNC(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825747864 ALKUUKIJBRAWGN-NXEZZACHSA-N 300.359 -0.342 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)NC2(CO)COC(C)(C)OC2)cn1 834504508 CMIIAGBZQISWDF-QCDXTXTGSA-N 320.349 -0.043 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](C(=O)N(C)C)C1 839637084 VOWUZVKSORWWKB-NWDGAFQWSA-N 312.414 -0.022 50 20 DBGD CC(C)[C@@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)C(=O)O 848593161 ZHJBZUWAVTUTPQ-SECBINFHSA-N 314.342 -0.704 50 20 DBGD CN(CCCNC(=O)NNc1ccncn1)S(C)(=O)=O 852414690 UKCISJIMWHUAMG-UHFFFAOYSA-N 302.360 -0.616 50 20 DBGD CCCC[C@@](C)(F)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 857116625 KSXUAHZNOWYELH-LDYMZIIASA-N 311.379 -0.010 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOc2ccc(F)cc2)N1 858133775 XUKBVZJPFCKAFV-LLVKDONJSA-N 324.312 -0.187 50 20 DBGD C[C@@]1(C(=O)NNC(=O)C(=O)NC2CC2)COc2ccccc2O1 858168704 ZUTKNQFBRZTERJ-HNNXBMFYSA-N 319.317 -0.358 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCCCN2C2CC2)N1 858395605 DEMHAVIUSUMRHU-NWDGAFQWSA-N 323.397 -0.388 50 20 DBGD CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862451800 GVANYHRINZFKJY-WDEREUQCSA-N 324.381 -0.549 50 20 DBGD O=C1NC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CO1 863879376 ZVYLMWSPHHEHIC-UHFFFAOYSA-N 304.111 -0.919 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)CN2CCOC2=O)c1 873824327 ZIGNSSRMIPHWGC-UHFFFAOYSA-N 306.322 -0.034 50 20 DBGD O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CC[C@@H](B(O)O)C1 1261844254 IPRVDDBDHKIUMF-LLVKDONJSA-N 313.122 -0.079 50 20 DBGD O=C(NNc1cccnn1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1320070820 JFWSSPXKXWEFET-LLVKDONJSA-N 320.334 -0.350 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1 1321047403 SNQHGDNRAWRTGQ-UHFFFAOYSA-N 300.340 -0.933 50 20 DBGD CS(=O)(=O)CC1(CNC(=O)NNC(=O)c2ccc[nH]2)CC1 1322416213 FHNXKSZDGPQXTE-UHFFFAOYSA-N 314.367 -0.217 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNC(=O)CC(F)(F)F)C1=O 1328430813 QDEXWMBDHYBDKQ-UHFFFAOYSA-N 324.259 -0.240 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(C(N)=O)o1 1329237378 WEVBSRQABDZSNO-APPZFPTMSA-N 310.310 -0.366 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](B(O)O)C2)s1 1331828161 VFFFBOUIYRKOGZ-ZETCQYMHSA-N 318.185 -0.987 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1-n1cnnc1 1349455519 MANYBUQVZGUBPR-RKDXNWHRSA-N 319.325 -0.813 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1 1590365806 RSQYCKOVBNRJOI-UHFFFAOYSA-N 321.272 -0.498 50 20 DBGD O=C(NCc1cnc(Br)cn1)NNC(=O)C(=O)O 1601546555 HOCQYDBDOVUMRJ-UHFFFAOYSA-N 318.087 -0.846 50 20 DBGD CCn1[nH]nnc1=NC(=O)NNc1ccc(-c2nn[nH]n2)cc1 1604629137 GXMZCQJUGYNUSR-UHFFFAOYSA-N 315.301 -0.556 50 20 DBGD COCCOc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1606913546 MFKMPHPQLFKJGB-UHFFFAOYSA-N 311.294 -0.373 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1)c1ccc(-c2nn[nH]n2)nc1 1609558202 UXYRAGLKIINOCD-VIFPVBQESA-N 319.350 -0.082 50 20 DBGD CCOCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842692098 PCMKMIVDCVCVHE-JTQLQIEISA-N 304.774 -0.174 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)CC(C)(C)C)C(=O)C1=O 264045029 RJBYTOJHPMWTMH-UHFFFAOYSA-N 312.370 -0.739 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN(C)CCO)cc1OC 267874406 CZDRXMPBFUXQJJ-UHFFFAOYSA-N 311.338 -0.611 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1C#N 274099000 WEVAAXOYIPNRDE-UHFFFAOYSA-N 303.322 -0.486 50 20 DBGD Cc1csc2ncc(C(=O)NNC(=O)C(C)(C)O)c(=O)n12 277910880 HRTBHQKKTVLUQG-UHFFFAOYSA-N 310.335 -0.404 50 20 DBGD CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)CO)CC1=O 367892476 JPVXQCZNLAALCW-JTQLQIEISA-N 321.333 -0.422 50 20 DBGD O=C(CN1CCC(OCCO)CC1)NNC(=O)c1ccccc1 391386603 ZOHGOAADPWMZHS-UHFFFAOYSA-N 321.377 -0.079 50 20 DBGD CCOC(=O)N[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C 493606185 RWYSVIQRCFKQBM-SNVBAGLBSA-N 324.341 -0.211 50 20 DBGD O=C(NC1CC1)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584933718 KGWSTTLOQIJLAU-UHFFFAOYSA-N 316.166 -0.503 50 20 DBGD CN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(B(O)O)c(F)c1)CC2 584956191 XVKRHNJUIBYTJY-RYUDHWBXSA-N 306.146 -0.186 50 20 DBGD Cc1nnc(NNC(=O)CN2Cc3ccccc3C2=O)nc1O 730031854 LYKGAHCQGKJFLH-UHFFFAOYSA-N 314.305 -0.015 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1COc2ccccc2O1 730103367 XTKXYLSKGRMEQX-GFCCVEGCSA-N 302.290 -0.060 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)Cc2ccncc2)CCO1 747583399 DDPBCSFEKRUZIF-GFCCVEGCSA-N 321.381 -0.325 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1cc(F)c(F)c(F)c1)C(N)=O 748810559 DLRZNJMRPGWHHN-VIFPVBQESA-N 318.255 -0.073 50 20 DBGD C[C@@]1(NNC(=O)NC[C@@]2(C)CCCO2)CCS(=O)(=O)C1 756084319 KRANYCCJNFWYTN-VXGBXAGGSA-N 305.400 -0.064 50 20 DBGD O=C(CN1CCc2nn[nH]c2C1)NNC(=O)c1ccccc1 759521621 WMGXJBPGRPOOJL-UHFFFAOYSA-N 300.322 -0.376 50 20 DBGD COC(=O)c1cccc(NNC(=O)CCNS(C)(=O)=O)c1 780795979 WHPHZQWBOWPYCP-UHFFFAOYSA-N 315.351 -0.144 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCNC(=O)C1 790065253 KNBOGMRIRPTYSA-VIFPVBQESA-N 301.343 -0.551 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)NCCF 799902693 HYMIKZSWZQLQOF-SECBINFHSA-N 321.312 -0.024 50 20 DBGD Cn1nncc1CNC(=O)NNc1ccc(-n2cccn2)nn1 807612743 VYJUBWCOOQNEAT-UHFFFAOYSA-N 314.313 -0.383 50 20 DBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 812533947 GDPVEQNMERXHRZ-LPEHRKFASA-N 321.399 -0.578 50 20 DBGD Cn1nncc1NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 816769037 RKPATESBSWJNBT-AOOOYVTPSA-N 320.353 -0.177 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 816831155 IIXQLSZLDPOLCN-ZJUUUORDSA-N 319.317 -0.270 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1nnc2c1CCCC2 847457724 BHVRHFPDCQCCNX-UHFFFAOYSA-N 303.326 -0.350 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCC(=O)N1 854388225 BXNPYKRPFBSJNN-SECBINFHSA-N 301.343 -0.408 50 20 DBGD CC1=C(C(=O)NNC(=O)c2cc[nH]n2)[C@@H](C)n2ncnc2N1C 855355829 BAOAIXQKXCFGGZ-MRVPVSSYSA-N 316.325 -0.253 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H](CCSC)NC(N)=O 858126214 WKUXNHLQSCGQPC-ZETCQYMHSA-N 305.429 -0.542 50 20 DBGD O=C(CSc1ccc(O)cc1)NNC(=O)[C@@H]1CCC(=O)N1 862456773 SRYMHYCTAFPMLH-JTQLQIEISA-N 309.347 -0.090 50 20 DBGD CCCc1ncc(C(=O)NNC(=O)CS(C)(=O)=O)s1 863463401 YMVJQSXRDNXITI-UHFFFAOYSA-N 305.381 -0.099 50 20 DBGD O=C(NN=Cc1cn(C[C@@H]2CCCO2)nn1)N1CCOCC1 872346490 UVFIXFXSBZSANJ-LBPRGKRZSA-N 308.342 -0.167 50 20 DBGD CC[C@H]1COCCN1CCNC(=O)c1cccc(B(O)O)c1 874710084 NMRXTUAOUCNGAR-AWEZNQCLSA-N 306.171 -0.793 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)Cn2cccnc2=O)cc1 915190605 NREGIWVISCRCSI-UHFFFAOYSA-N 316.317 -0.222 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 1115863594 XZUYXIKWOYRQJU-UHFFFAOYSA-N 306.365 -0.272 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)cnn1C 1116699753 REFZBYCGQHAZKJ-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD COCCOc1cncc(C(=O)NNc2nccn(C)c2=O)c1 1321288193 QCAVYKSRDDDTQQ-UHFFFAOYSA-N 319.321 -0.043 50 20 DBGD CCCc1nc(C)c(NC(=O)C(=O)NNC(=O)CCO)s1 1325851550 OFCVTEZKDNVUKB-UHFFFAOYSA-N 314.367 -0.128 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cn2cc(C3CC3)nn2)CC1 1334338779 DIOKYYYVNONUHN-UHFFFAOYSA-N 307.358 -0.856 50 20 DBGD Cc1c(NNC(=O)CN2C(=O)CNC2=O)cccc1[N+](=O)[O-] 1334937932 XFFVIXZVYIPUFF-UHFFFAOYSA-N 307.266 -0.102 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)N=c1cc[nH]cc1 1520159099 USZOUYVHVWQAPB-JQWIXIFHSA-N 304.354 -0.956 50 20 DBGD C[C@@]1(C(=O)NNc2cc(O)nc3ncccc23)C[C@H](O)CN1 1576349939 KNGMASVSTDPGRF-RTHLEPHNSA-N 303.322 -0.109 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)/C=C/c1cc(C(=O)O)co1 1599747204 JNYAELOGNHJNOR-NSCUHMNNSA-N 316.291 -0.817 50 20 DBGD Cc1nc2cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc2n1C 1600725245 CVZLCAJRTHFRGY-UHFFFAOYSA-N 319.277 -0.948 50 20 DBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 1601892841 RIQJTDDDUUFRPB-IUCAKERBSA-N 312.326 -0.904 50 20 DBGD Cc1c(C(=O)NNC(=O)NC[C@@H](C(=O)O)C2CCC2)nnn1C 1605077091 OKPQVXDIPZKQHJ-SECBINFHSA-N 324.341 -0.432 50 20 DBGD N#CC1=CCN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)CC1 1605583678 YONZSGVDIMRASR-UHFFFAOYSA-N 312.347 -0.052 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1cc(C(=O)O)ccc1O 1607367107 QALYHNPGXGJABB-UHFFFAOYSA-N 300.292 -0.415 50 20 DBGD CO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847562824 ADYWJLSZLUEIKC-XWLWVQCSSA-N 304.774 -0.177 50 20 DBGD CC1CCN(CC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 135612138 ZWBNFBUUTRUHSW-UHFFFAOYSA-N 322.365 -0.111 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1cccs1 264100822 HKZJNYIDFPZQPU-QMMMGPOBSA-N 319.408 -0.234 50 20 DBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNc2cccnn2)C1 265458553 DNLAOHLPKONFKH-VIFPVBQESA-N 314.371 -0.473 50 20 DBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 268198606 ODCHPFOQBNCLIH-MRVPVSSYSA-N 311.294 -0.644 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)CN(C)C)cc1-n1cnnn1 274248356 VUVRZNYQQKSMAF-UHFFFAOYSA-N 318.341 -0.315 50 20 DBGD Cc1ccc(O)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 278555009 HUFXAFHJYSJMBF-VIFPVBQESA-N 312.347 -0.104 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNc2ncccc2F)nn1 287222944 OVMRKCVNVMDJOH-UHFFFAOYSA-N 323.288 -0.075 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 292283001 IJDVCQLAVQFGEW-UHFFFAOYSA-N 309.282 -0.325 50 20 DBGD CS(=O)(=O)C1(C(=O)Nc2cccc(B(O)O)c2)CCCC1 584911584 WGNMRUBNKXWTSL-UHFFFAOYSA-N 311.168 -0.338 50 20 DBGD COCCN1CCC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584999345 AFVTYXNHFAXHNA-GFCCVEGCSA-N 324.161 -0.654 50 20 DBGD O=C(Cn1nnnc1-c1ccsc1)N1CC[C@H](B(O)O)C1 585063893 JTIZVAMZTPFABH-VIFPVBQESA-N 307.144 -0.523 50 20 DBGD Cn1c(=O)n(CC(=O)N2CC[C@H](B(O)O)C2)c2ccccc21 585068987 JYXBKJYZSLGVEW-JTQLQIEISA-N 303.127 -0.585 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2nccnc2N)c1 746299951 MLYHHPNXMCZTSJ-UHFFFAOYSA-N 315.293 -0.513 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 747429537 QHLBQYHGHQWPFM-UHFFFAOYSA-N 324.296 -0.031 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@]1(C)CCOC1 748635940 UHRYJORGZHTYPR-GXFFZTMASA-N 303.359 -0.205 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 752284379 IRIJUAWVDVYMDH-QMMMGPOBSA-N 313.335 -0.714 50 20 DBGD COc1ccc(C(=O)NNC(=O)CO)nc1Br 753443283 YKPUMHQGDCPVJD-UHFFFAOYSA-N 304.100 -0.394 50 20 DBGD NC(=O)c1ccc(NNC(=O)CNC(=O)CC2CCCC2)nn1 757398108 CPPATFYXOIGWHI-UHFFFAOYSA-N 320.353 -0.285 50 20 DBGD COc1ncc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C(N)=O 757690968 AWDCMNYLUOXUNX-UHFFFAOYSA-N 318.293 -0.016 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1 764318744 ZOHDBAVWHHWMDJ-UHFFFAOYSA-N 308.338 -0.125 50 20 DBGD Cc1ncccc1C(=O)NNC(=O)CNC(=O)c1cccnc1 764344687 HOVZIZSREQCSKQ-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@@H](C)O)[C@@H](C)CO 785537206 OKYYJWQHHMLYGS-TUAOUCFPSA-N 303.403 -0.368 50 20 DBGD COC(=O)C[C@H]1COCCN1S(=O)(=O)CBr 805132600 RVNFVHVCPZHOIQ-ZETCQYMHSA-N 316.173 -0.068 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cnc2[nH]c(O)nc2c1 813574201 PLVKDRZIRIADCS-UHFFFAOYSA-N 313.277 -0.053 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CS(C)(=O)=O)C1 814643933 VTHGMYGJIXHYMQ-QWRGUYRKSA-N 319.427 -0.311 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 845419192 FEQHZDFMPBRVBD-VIFPVBQESA-N 320.415 -0.213 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCCN2CCCC2=O)n1 845485036 SWKPARSBMMFHMA-UHFFFAOYSA-N 305.338 -0.044 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNc1ncc(F)cn1 847620056 FPWZAFVGOQITSY-UHFFFAOYSA-N 312.330 -0.444 50 20 DBGD Cc1nn(CC(=O)NNc2nccnc2C(C)C)c(=O)n1C 847957858 UVOUCAFWVHHDEA-UHFFFAOYSA-N 305.342 -0.053 50 20 DBGD CCC[C@@H](OCC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 858750232 PTFRTOHZUZPZKD-NXEZZACHSA-N 321.399 -0.291 50 20 DBGD Cc1cccc(C)c1NCC(=O)NNC(=O)CS(C)(=O)=O 863462933 OKQXNPQHNDVFQF-UHFFFAOYSA-N 313.379 -0.093 50 20 DBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863463415 ZCNKZWSAFZKLGB-RKDXNWHRSA-N 320.367 -0.842 50 20 DBGD CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 863870441 FSGFRSZNUKMPEH-SNVBAGLBSA-N 323.129 -0.079 50 20 DBGD O=C(C[C@H]1NC(=O)c2ccccc21)NNC(=O)N1CCOCC1 900426681 IMHKONLHQZEPMS-GFCCVEGCSA-N 318.333 -0.066 50 20 DBGD C[C@H](O)CN(C)NC(=O)CCNS(=O)(=O)c1cccs1 910182643 YIIHHMQUPLCWMT-VIFPVBQESA-N 321.424 -0.240 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CSCC(N)=O)cc1 915262474 YREUFAOBYCZBDB-UHFFFAOYSA-N 322.346 -0.697 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H](CC)CN1CCOCC1 925585114 MZFGKRYFICZAED-LLVKDONJSA-N 302.375 -0.536 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 1116627064 JWOGLBXRRNBFGB-UHFFFAOYSA-N 312.257 -0.360 50 20 DBGD CCn1nncc1CNC(=O)NNC(=O)N=c1cc[nH]cc1 1119083573 HSYSNJBSORYHLA-UHFFFAOYSA-N 304.314 -0.349 50 20 DBGD C[C@@H](C(=O)NNc1ccccc1S(N)(=O)=O)S(C)(=O)=O 1256185422 UZQYMQDYDQNWPC-ZETCQYMHSA-N 321.380 -0.790 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)CCc1ccccc1 1318115167 CMSIBYXDJWGRIX-UHFFFAOYSA-N 307.350 -0.081 50 20 DBGD C[S@@](=O)C1(CNC(=O)NNC(=O)Cc2ccncc2)CC1 1327031294 LDTJXRQCEYZIAY-OAQYLSRUSA-N 310.379 -0.134 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1O 1329192225 SAUDVCZXSDCPJT-VIFPVBQESA-N 322.321 -0.490 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cnc(N(C)C)n1C 1329244541 MQJRWZVONGLULU-KOLCDFICSA-N 324.385 -0.259 50 20 DBGD Cc1nn(C)c(C)c1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331295654 GBEMXJJMLQQZPE-JTQLQIEISA-N 308.342 -0.854 50 20 DBGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)c1cn[nH]c1 1331690220 IJPUOWKJQWTCCB-MRVPVSSYSA-N 300.340 -0.614 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1331691894 QUNJYETYJQCFRJ-UWVGGRQHSA-N 310.354 -0.939 50 20 DBGD Cn1cc(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)nn1 1341146249 WQIPZJUNNXGQBB-UHFFFAOYSA-N 307.335 -0.018 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCO[C@H](C2CC2)C1 1342638413 QEVGVZXSASKJPM-RYUDHWBXSA-N 324.381 -0.103 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1=NOC2(CCNCC2)C1 1576903786 OYAQVLIGUVTULW-NXEZZACHSA-N 310.354 -0.543 50 20 DBGD Cc1cc2cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc2[nH]1 1600308357 AEIYECCZQWOCKL-UHFFFAOYSA-N 304.262 -0.353 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(OCCF)c1 1601635877 NDHHQCQQBUMFRE-UHFFFAOYSA-N 313.241 -0.795 50 20 DBGD CC[C@H](C(=O)O)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 1604879026 YUQHNVTZJHESQQ-AXFHLTTASA-N 315.370 -0.256 50 20 DBGD O=C(O)Cc1cccc(NC(=O)c2cccc(B(O)O)c2)n1 1608786520 OODVCUHBCACKOX-UHFFFAOYSA-N 300.079 -0.359 50 20 DBGD Cc1ccc(NNC(=O)NCCCN2CCC[C@H]2C(N)=O)nn1 264519582 VTSIHXZHHCNMAL-NSHDSACASA-N 321.385 -0.249 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CC(c2cccnc2)=NO1 276570687 DVIVOHZQCAHXRO-GFCCVEGCSA-N 319.321 -0.352 50 20 DBGD Cn1cnn(CCC(=O)NNc2cc(Cl)nc(N)n2)c1=O 293321779 AFJMKRJFRKNEHM-UHFFFAOYSA-N 312.721 -0.859 50 20 DBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 298693919 ZYNNMVPGBJVLLD-VXGBXAGGSA-N 316.321 -0.152 50 20 DBGD O=C(CN1CCC(O)(CO)CC1)NNC(=O)c1ccccc1 313641694 QNALCKKXQZCDSO-UHFFFAOYSA-N 307.350 -0.733 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 369287324 GIKSQNNKBJFBHJ-LLVKDONJSA-N 319.365 -0.861 50 20 DBGD CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(B(O)O)cc2)C1 584964940 LURZHDQFAHKVMG-ZFWWWQNUSA-N 302.183 -0.077 50 20 DBGD O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(B(O)O)c(F)c1 584969636 GSEPJZKGYPNPSI-XHDPSFHLSA-N 323.129 -0.427 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)[C@H]1OC 584976587 RRSZTSXAOYEBQO-YNEHKIRRSA-N 311.118 -0.572 50 20 DBGD Cc1nnc(C23CC(CN2C(=O)c2ccc(B(O)O)cc2)C3)o1 585009195 RTQDUDFZAOLGNI-UHFFFAOYSA-N 313.122 -0.181 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 585011178 XMRROACIQOUSPZ-PXWWUCIGSA-N 307.130 -0.262 50 20 DBGD CC(C)(CCNCc1ccc(B(O)O)cc1F)S(C)(=O)=O 585046367 QIRAILFETRJWKI-UHFFFAOYSA-N 317.191 -0.192 50 20 DBGD CC(=O)N1CC[C@](C)(c2nc(-c3ccc(B(O)O)cc3)no2)C1 585050905 PJOFYYWMORVZRH-HNNXBMFYSA-N 315.138 -0.074 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 585069150 LTQQZONFGVHRMS-GHMZBOCLSA-N 318.204 -0.877 50 20 DBGD CC(C)NC(=O)CCNC(=O)NNC(=O)Cc1cccnc1 728947343 JZKVQVNBECEQQI-UHFFFAOYSA-N 307.354 -0.131 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCCN1CCOCC1 729040853 JAXCNMXWWCFUBV-UHFFFAOYSA-N 307.354 -0.713 50 20 DBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1cnn[nH]1 729457750 VVUIAANOSJTHPY-RXMQYKEDSA-N 323.342 -0.932 50 20 DBGD CCOCC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744496303 WYRBRONDXTWDDJ-UHFFFAOYSA-N 305.290 -0.101 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)C1CCC1 747907142 HBKLCSSWWOJJBT-UHFFFAOYSA-N 321.399 -0.722 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 760211749 PUQQBHUGNIYIEK-SECBINFHSA-N 306.278 -0.118 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1OC(F)(F)F 764422743 YIUHWBQCGQCDOB-UHFFFAOYSA-N 321.211 -0.337 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 772631675 VESHRAWZURWZIW-JTQLQIEISA-N 305.400 -0.150 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 774773251 WUAZRGSYSCFHKE-UWVGGRQHSA-N 300.359 -0.391 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCn1cnccc1=O 794344890 ALINTEMRHBBIGU-UHFFFAOYSA-N 323.353 -0.914 50 20 DBGD NC(=O)Cc1occc1C(=O)NNC(=O)N=c1cc[nH]cc1 803394454 VVKMORDOKXCZJT-UHFFFAOYSA-N 303.278 -0.409 50 20 DBGD O=C(NNC(=O)c1ccccc1O)c1cc(-c2nn[nH]n2)c[nH]1 823277243 HSQLLRDVJJCEEZ-UHFFFAOYSA-N 313.277 -0.025 50 20 DBGD O=C1C[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CN1 826478536 DVNCFSDKDTZDRN-ZCFIWIBFSA-N 322.716 -0.506 50 20 DBGD O=C(CNC(=O)c1ccco1)NN[C@@H](C(=O)O)c1cccnc1 833109626 LLSZJXYNWYTTME-GFCCVEGCSA-N 318.289 -0.149 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 852394533 UIOYDBQGZZCEQL-WHOHXGKFSA-N 324.381 -0.247 50 20 DBGD C[C@@H](NC(=S)NNC(=O)c1nc(N)nc(N(C)C)n1)C1CC1 855097187 KZCAJGGTWQUANF-ZCFIWIBFSA-N 324.414 -0.573 50 20 DBGD CN(C)[C@@]1(CNC(=O)NNC(=O)c2cn[nH]c2)CCSC1 858274986 KEADWUOVBAQILU-GFCCVEGCSA-N 312.399 -0.209 50 20 DBGD CN(CC1(N(C)C)CCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858698842 CHICJNYUVVZRSA-SNVBAGLBSA-N 311.386 -0.578 50 20 DBGD Cc1nc2c(C(=O)NNC(=O)CS(C)(=O)=O)cccc2o1 863465792 GAGBRQNALFQDCA-UHFFFAOYSA-N 311.319 -0.058 50 20 DBGD COC(=O)CC1(NC(=O)c2cccc(B(O)O)c2)CCOCC1 863876783 JYDTTYZWNFMRSI-UHFFFAOYSA-N 321.138 -0.792 50 20 DBGD COC(=O)[C@H](C)N(C(=O)c1ccc(B(O)O)cc1)C1CCC1 863880385 XMTHQCAEVARZSM-JTQLQIEISA-N 305.139 -0.077 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc2c(c1)ncn2C 869903924 LKUSHTBDVQRWAM-UHFFFAOYSA-N 306.322 -0.003 50 20 DBGD CN(C)N(C(=O)CNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 908281346 SMXOJNQZKXOKBU-LLVKDONJSA-N 312.395 -0.014 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccc2c(c1)OCO2 915131425 PQFUQGBZUJBAKA-UHFFFAOYSA-N 314.319 -0.389 50 20 DBGD O=C(NN=Cc1cnc2cnccn12)[C@@H]1CCS(=O)(=O)C1 1322234676 GAOXIFRBYSDNMC-SECBINFHSA-N 307.335 -0.386 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(F)CCOCC1 1329297392 GQHIALFEWCYECF-UHFFFAOYSA-N 303.334 -0.043 50 20 DBGD Cc1noc(C)c1CCC(=O)NNC(=O)CN1CCCC1=O 1332706543 HQNZUDIKVRUUNS-UHFFFAOYSA-N 308.338 -0.006 50 20 DBGD C[C@]1(CNC(=O)C(=O)N[C@@H]2CCNC2)C[C@@H]1Br 1335252623 BNLGIVUZHSGVRK-VHSKPIJISA-N 304.188 -0.246 50 20 DBGD CCNC(=O)N(C)NC(=O)c1nnn(C2CCNCC2)c1C 1349403510 KBGSFSUQHNIQKG-UHFFFAOYSA-N 309.374 -0.183 50 20 DBGD C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)S(C)(=O)=O 1573729053 FNYHIITZFFIAKB-ZCFIWIBFSA-N 311.327 -0.862 50 20 DBGD CCO[C@H]1C[C@](N)(C(=O)NNC(=O)COCCOC)C1(C)C 1578090265 HCGXAISFLUZGGW-HZMBPMFUSA-N 317.386 -0.671 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(OCC(=O)O)cc1 1591635038 JZSWJIPEBCVMJT-UHFFFAOYSA-N 323.305 -0.564 50 20 DBGD CN(NC(=O)[C@H]1CCCN(CC(=O)O)C1=O)c1ccccn1 1593766162 GSGULLVHKOTTOP-SNVBAGLBSA-N 306.322 -0.128 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)nc1 1603544932 PDCNFYCBXPJVSO-UHFFFAOYSA-N 322.321 -0.154 50 20 DBGD CCN(CC(=O)O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1609992264 GTNNHYIKPRJKLV-UHFFFAOYSA-N 324.293 -0.238 50 20 DBGD CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841225935 AWBIQSADZOMMDM-JTQLQIEISA-N 316.833 -0.259 50 20 DBGD CCN1CCN(CC(=O)NNc2ccc(F)cc2)C(=O)C1=O 56421882 PIQDOOIFVRSGMH-UHFFFAOYSA-N 308.313 -0.041 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)N(CCOC)[C@H](C)C1 129150234 WEVVAFSQEJCSRA-FRRDWIJNSA-N 314.430 -0.027 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)nc1 141795140 SIPHHVHEXNAGAV-LURJTMIESA-N 320.758 -0.566 50 20 DBGD CC(C)N1C[C@H](NC(=O)NNC(=O)c2cnn(C)c2)CC1=O 267676228 PPCMDRCZBBEOCD-SNVBAGLBSA-N 308.342 -0.627 50 20 DBGD CO[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H]1OC 276892977 NYKBDJYJCFKBEF-BETUJISGSA-N 307.350 -0.207 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(C2CC2)no1 281894713 IMSGWRPSFYCHCB-LURJTMIESA-N 316.339 -0.749 50 20 DBGD CCNC(=O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584936589 LCDOZWGYFUDOQG-JTQLQIEISA-N 322.145 -0.506 50 20 DBGD COCCN1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 584943137 JDOBRKWVZWRTAL-GFCCVEGCSA-N 306.171 -0.936 50 20 DBGD O=C(NC[C@H]1CN2CCCC[C@H]2CO1)c1cccc(B(O)O)c1 584967782 BWCMGVCUFHDXCK-GJZGRUSLSA-N 318.182 -0.651 50 20 DBGD COCC1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOCC1 584993688 ZICCHBOGAPATJD-UHFFFAOYSA-N 311.118 -0.569 50 20 DBGD CN1CCCC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 585010331 NRCVMRMZENOSNP-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD CC(=O)N1CCC[C@@H](CNCc2ccc(B(O)O)cc2F)C1 585039351 QNKFGEHDMJCGQY-LBPRGKRZSA-N 308.162 -0.146 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)[C@@H](O)C1 768772096 YJCARBYLIGBBBV-JSGCOSHPSA-N 305.378 -0.002 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCNC(=O)OC 772133023 IVCXNBNKKJPTAW-MRVPVSSYSA-N 303.315 -0.388 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1 792109975 YBOBQXPDNPRZOM-SECBINFHSA-N 324.303 -0.056 50 20 DBGD CN(CC(=O)NNc1cnnn1C)S(=O)(=O)c1ccccc1 816770058 IJCVSIWIYAHWQM-UHFFFAOYSA-N 324.366 -0.421 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 826392197 QCLBKFGGPTZDHT-JTQLQIEISA-N 316.325 -0.147 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1(S(C)(=O)=O)CC1 826676554 CXRNDZAYJOAWSJ-DTWKUNHWSA-N 319.383 -0.681 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCO1 827287690 GJMJQFFITISTDE-VWYCJHECSA-N 301.343 -0.501 50 20 DBGD O=C(Cn1cc(C(=O)O)cc([N+](=O)[O-])c1=O)NNC(=O)C1CC1 833121998 QXUZLCAMQNAGBX-UHFFFAOYSA-N 324.249 -0.988 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(O)(C(=O)O)CC1 833473472 LFNODYOLWOMFNR-SNVBAGLBSA-N 315.370 -0.520 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CC(=O)N(C2CC2)C1 836348119 BEHUQZXITJCVMH-MWLCHTKSSA-N 310.354 -0.351 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843651476 MZRDGAZAZJEWER-HTQZYQBOSA-N 310.310 -0.320 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN2CCCC2=O)n1 845477757 SOROLGSOWUJYHF-UHFFFAOYSA-N 322.369 -0.547 50 20 DBGD COC(=O)COCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 854259639 BHMAWQHZSJHULS-UHFFFAOYSA-N 323.305 -0.729 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCc2nn[nH]c21 854377075 GLMDERHXZNCMEQ-VIFPVBQESA-N 301.310 -0.106 50 20 DBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc[nH]n1 855357844 RLKWHISUFKQRCR-JTQLQIEISA-N 308.342 -0.247 50 20 DBGD C[C@]1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1Br 857384893 BMHWHCSZCVVPJV-LKEWCRSYSA-N 311.201 -0.032 50 20 DBGD CCOC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[nH]c1C 862458564 BNYPIYLMEUPMIK-VIFPVBQESA-N 322.321 -0.461 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)OCc1ccncc1 869903607 FAXRCLNRMAYUJE-NSHDSACASA-N 311.338 -0.203 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)N(C)C)C1 900427110 FEJRAKUUWXLXLF-SNVBAGLBSA-N 300.359 -0.436 50 20 DBGD C[C@@]1(C(=O)N2CC(NS(C)(=O)=O)C2)C[C@@H]1Br 913009192 CIONLCZQZNTWSD-IONNQARKSA-N 311.201 -0.080 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)cc1 1117702695 JWEBVKXZZCHERV-LBPRGKRZSA-N 323.349 -0.411 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccnc(N(C)C)n1 1118187289 NXODPJFVNNRUDD-KOLCDFICSA-N 322.369 -0.202 50 20 DBGD CONC(=O)CNC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1262294784 DYSCLTQZLPHLOR-WKEGUHRASA-N 322.159 -0.930 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(N2CCCC2)nc1 1319299506 KWZKRZYGYAZRIR-UHFFFAOYSA-N 321.337 -0.315 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1320404039 WKPSKILPUFMVMZ-MDZDMXLPSA-N 306.322 -0.027 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)CN1C(=O)CNC1=O 1321993597 VEZTVUJKCXNOPO-UHFFFAOYSA-N 308.269 -0.933 50 20 DBGD O=C(/C=C\C1CCOCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1322753101 SYDCBMJHYWQKQY-RFMOXSJOSA-N 316.379 -0.449 50 20 DBGD Cn1nncc1NC(=O)C(=O)NNC(=O)Cc1ccc(F)cc1 1323907439 SBBFCNJFPQPISO-UHFFFAOYSA-N 320.284 -0.717 50 20 DBGD CN(C)CCOCCNC(=O)NNc1nncc(N)c1Cl 1324438475 UQUMRRVVHOBIQB-UHFFFAOYSA-N 317.781 -0.084 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCO[C@@H]1CCOC1 1326007585 WZLNYCDPYIOVDO-TUAOUCFPSA-N 315.370 -0.063 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCNC2=O 1327265027 UGWJWICDEUEHPS-UHFFFAOYSA-N 320.305 -0.312 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nnnn1C1CC1 1328131339 LPJUJLCDTIVUHX-IONNQARKSA-N 309.330 -0.737 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1CCOCC1 1333154311 MGZUIDMAABRBBO-JTQLQIEISA-N 312.370 -0.246 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 1337961422 RPNZVIRGXSHVRN-UHFFFAOYSA-N 306.322 -0.069 50 20 DBGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)C2 1343520468 LKHPTRMTJLHLHG-SNVBAGLBSA-N 302.338 -0.133 50 20 DBGD O=C(Cc1ccccc1O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1594710873 BOCBGNOXNJAHCX-JTQLQIEISA-N 307.262 -0.688 50 20 DBGD OB(O)[C@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)COCC3)C1 1607091014 BGZPJHMHGKEUNX-VIFPVBQESA-N 316.130 -0.613 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 1609028343 VMNYBOYSEYYPEQ-DOMZBBRYSA-N 303.123 -0.164 50 20 DBGD Cc1onc(CC(=O)NNc2ncccn2)c1-c1nn[nH]n1 1609471347 PSMPKXHWCHVNRJ-UHFFFAOYSA-N 301.270 -0.361 50 20 DBGD C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1783519201 LIVAKSLPUURELN-HOTUBEGUSA-N 308.737 -0.269 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccnn2C)C[C@@H](C)O1 111545216 OITYVYDOKYETFL-PHIMTYICSA-N 309.370 -0.320 50 20 DBGD COCCCNC(=O)NNC(=O)Cn1ccc([N+](=O)[O-])n1 139550377 DCGNJRJJHXZGPB-UHFFFAOYSA-N 300.275 -0.842 50 20 DBGD C=CCNC(=O)CNC(=O)NNC(=O)Cc1ccccc1OC 272008939 PRUPRHCAQBZJOK-UHFFFAOYSA-N 320.349 -0.130 50 20 DBGD CO[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1 279996495 PDSCGXYXKNQVQJ-GFCCVEGCSA-N 316.321 -0.152 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]32)n1 289567691 QBZGIJOUYRSYFT-OUCADQQQSA-N 322.365 -0.301 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccccc1 299600409 RZZOLZSRANVGOP-JTQLQIEISA-N 313.379 -0.296 50 20 DBGD CCn1nncc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 495738381 TVDFPFSIZHAMCG-UHFFFAOYSA-N 312.330 -0.416 50 20 DBGD COCCN1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584935812 YWIZOJGJZMTWHC-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CCS[C@H]1CC[C@@]1(O)CNC(=O)c1ccc(B(O)O)cc1 584957228 MSJBDLZYVLOVCY-GXTWGEPZSA-N 309.196 -0.257 50 20 DBGD CN1CCC[C@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@H]21 584962436 FZTBDQOXGMNSEO-DZGCQCFKSA-N 302.183 -0.077 50 20 DBGD CC(C)(C)n1ncnc1CNC(=O)c1cc(B(O)O)ccc1F 584986099 AZAFUVQEJNXCGO-UHFFFAOYSA-N 320.133 -0.218 50 20 DBGD O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1cccc(B(O)O)c1 584987823 VKDKMZXQBJSWMN-CHWSQXEVSA-N 302.139 -0.750 50 20 DBGD CC(C)(C)c1n[nH]c(CNC(=O)c2ccc(B(O)O)c(F)c2)n1 584999472 VRENLZDROMJCRR-UHFFFAOYSA-N 320.133 -0.149 50 20 DBGD O=C1[C@@H](NCc2cccc(B(O)O)c2)CCN1CC(F)(F)F 585023786 MCFKNVBJOLMUCF-NSHDSACASA-N 316.088 -0.381 50 20 DBGD O=C1C[C@@H](NCc2ccc(B(O)O)o2)CN1CC(F)(F)F 585024793 CUUOURDURKXMDA-SSDOTTSWSA-N 306.049 -0.788 50 20 DBGD OB(O)c1ccc(CNCc2nc([C@@H]3CCCO3)n[nH]2)cc1 585045602 JVGBPOORWIYKDK-LBPRGKRZSA-N 302.143 -0.374 50 20 DBGD O=C(NCCOc1cccnc1)NNC(=O)C(=O)N1CCCC1 734071025 FLNWPWJBQXECRG-UHFFFAOYSA-N 321.337 -0.587 50 20 DBGD CN(C)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccn1 748239567 IRHJNHPVEGTAAZ-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(OC)c(-n2cnnn2)c1 756746167 IMOMHWVLMVPWBZ-UHFFFAOYSA-N 321.297 -0.530 50 20 DBGD Cc1cc(C(=O)NNC(=O)Nc2cccc(C(N)=O)n2)n[nH]1 757738123 JDRRXPPXEJLCMO-UHFFFAOYSA-N 303.282 -0.321 50 20 DBGD O=C1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CCN1 761216210 ULBASYFDHIHJEA-NSHDSACASA-N 319.317 -0.483 50 20 DBGD CCCNC(=O)NNC(=O)c1cc(C)ccc1S(N)(=O)=O 767333602 AYWPCWIJQDWGPS-UHFFFAOYSA-N 314.367 -0.004 50 20 DBGD Cn1c(NNC(=O)C(C)(C)C(N)=O)nc2ccccc2c1=O 767922529 QXSPERJSTGRBIY-UHFFFAOYSA-N 303.322 -0.112 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)NCc1ccco1 779502823 GYCAYOQCCGCPPD-KWQFWETISA-N 324.337 -0.614 50 20 DBGD COCCONC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 789336203 DFZHWMICHQEIHR-NSHDSACASA-N 311.294 -0.265 50 20 DBGD COc1cc(Cl)ccc1C(=O)NNC(=O)Cn1cnnn1 789910010 YKWZJVQZWYXRPE-UHFFFAOYSA-N 310.701 -0.204 50 20 DBGD CCC[C@H](C(=O)NNc1nccc(OC)n1)S(N)(=O)=O 816859501 BCQNDQDSNPOAMK-SSDOTTSWSA-N 303.344 -0.615 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NN(C)[C@H](C)CO)c1 823982985 IIEVQWSUGFQHBV-SNVBAGLBSA-N 315.395 -0.139 50 20 DBGD CCNC(=O)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 825465840 RZBSTHSGUNFUPQ-UHFFFAOYSA-N 324.732 -0.116 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 844667559 QOXUICPJIZPVLB-RCWTZXSCSA-N 303.384 -0.239 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 855635984 GQFSYOPAFMONOQ-ZHACJKMWSA-N 316.383 -0.619 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCN(CC3CC3)C2)N1 858235174 METHEIWFLXLWEO-MNOVXSKESA-N 309.370 -0.920 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2CC(=O)N(C)C2=O)c1 860683315 UYLLPHJSRVPWMU-UHFFFAOYSA-N 320.305 -0.190 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(F)ccc1F 885144638 HQXBDPKORBRRNX-UHFFFAOYSA-N 300.265 -0.340 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 910159812 KXXDYBBKZKDJBM-GHMZBOCLSA-N 317.386 -0.034 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1c[nH]c2ccccc12 914878627 MRRKXIQFABPEDI-UHFFFAOYSA-N 324.362 -0.132 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(O)nn1 1115938628 OMMSUUFAVFRGSP-UHFFFAOYSA-N 321.318 -0.565 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)S(C)(=O)=O 1253604336 JGWZWFPIOOYYMV-VIFPVBQESA-N 314.367 -0.612 50 20 DBGD CCNC(=O)NNC(=O)Cc1ccccc1NS(C)(=O)=O 1318477869 DGHHWEBBYUGZCO-UHFFFAOYSA-N 314.367 -0.049 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nncn1CCOC 1318566520 MEXBCGLJRPRZIR-MRVPVSSYSA-N 301.372 -0.038 50 20 DBGD CC(C)(C)OCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320127553 PAUPSTANOWENMY-QMMMGPOBSA-N 307.372 -0.681 50 20 DBGD CC(C)S(=O)(=O)CC(=O)NNc1ccc(-n2ccnc2)nn1 1323330442 QLVLTWOXYKSLFQ-UHFFFAOYSA-N 324.366 -0.071 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 1325505827 HCRRDQJHRXENBA-JTQLQIEISA-N 307.306 -0.040 50 20 DBGD COC(=O)NCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1327706911 RFWZYGZGQBIEML-VIFPVBQESA-N 307.372 -0.775 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCCc3c[nH]nc32)N1 1329753679 JEHBNACOVBEIPO-RKDXNWHRSA-N 306.326 -0.604 50 20 DBGD O=C(/C=C\c1nccs1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1348602932 CHWOQJHRVSEQTP-SLYZXXNYSA-N 315.376 -0.262 50 20 DBGD NCCn1cc(C(=O)NNC(=O)CCOc2ccccc2)nn1 1580320099 LRJNSOKSBMBIOT-UHFFFAOYSA-N 318.337 -0.533 50 20 DBGD O=C(O)Cc1sccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1602158510 VERRCUZDPAJAAY-SSDOTTSWSA-N 311.319 -0.585 50 20 DBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)C2CC2)=NN1c1ccccc1 29434788 ZWRPSJVZJLYKHX-LBPRGKRZSA-N 315.333 -0.336 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CC2)o1 138694717 VDFZOTULGRYCMX-UHFFFAOYSA-N 316.339 -0.364 50 20 DBGD COC(=O)N[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C(C)C 268180593 CLXPQFIYNOOVTC-VIFPVBQESA-N 310.314 -0.601 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cccs1 273552755 ZAWXEHBEXIPLRH-HTQZYQBOSA-N 319.408 -0.063 50 20 DBGD Cc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CN(C)C 274052763 JIUWBOPABMAPKD-UHFFFAOYSA-N 303.322 -0.486 50 20 DBGD COCCOCCCCNC(=O)c1ccc(B(O)O)c(F)c1 584936103 DXHQGDLGSJNQBU-UHFFFAOYSA-N 313.134 -0.322 50 20 DBGD CN(C)CCn1nccc1NC(=O)c1cc(B(O)O)ccc1F 584994399 IRXPYYTXVLVICV-UHFFFAOYSA-N 320.133 -0.484 50 20 DBGD Cc1nnc(S[C@@H](C)C(=O)NNC(=O)CC(C)C)n1N 734979265 AHYOOUXNSKJTJD-ZETCQYMHSA-N 300.388 -0.026 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccnc(N2CCCCC2)n1 740082875 XQEOATXLLUYTSV-UHFFFAOYSA-N 306.370 -0.211 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1=O 771882404 FPZLWPGKFHNXFX-LLVKDONJSA-N 309.297 -0.170 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)c(C)nn(C)c1=O 771971389 YGUQGUXREQQGIJ-VIFPVBQESA-N 324.337 -0.500 50 20 DBGD CNC(=O)C1(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)CC1 772089015 DZEBYVGGWMGRPV-SECBINFHSA-N 313.354 -0.362 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NN=c1cc[nH]cc1 781019316 FDXAYBOHBNGPFQ-GFCCVEGCSA-N 305.338 -0.926 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)NCC1CC1 788514521 HKUWZZRKLNABQJ-UHFFFAOYSA-N 315.333 -0.450 50 20 DBGD COC(=O)CNC(=O)NN=C(CS(=O)(=O)N(C)C)C(C)C 794929438 RIDGEIWIDZPCGW-UHFFFAOYSA-N 322.387 -0.638 50 20 DBGD CC(C)(C)Nc1ccccc1NC(=O)C(=O)NNC(=O)CO 799258577 FFXFBSJEZGPOKT-UHFFFAOYSA-N 308.338 -0.025 50 20 DBGD O=C(CN1CC[C@H](CO)[C@@H](O)C1)NNC(=O)c1cccs1 808751871 NPKVYFOCTJXWOM-ZJUUUORDSA-N 313.379 -0.816 50 20 DBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 814551885 XZPMYWOZWZMVEH-NSHDSACASA-N 303.274 -0.591 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1cccc(Cl)n1 817011178 IQFXQINULIRICR-UHFFFAOYSA-N 318.786 -0.092 50 20 DBGD CN(NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C1CC1 819646107 JZOQUCJXMAQOJI-UHFFFAOYSA-N 305.338 -0.685 50 20 DBGD COCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 821687830 QMRQLMFUWYAXHV-UHFFFAOYSA-N 322.329 -0.814 50 20 DBGD CCN(CCO)NC(=O)CNS(=O)(=O)c1cccc(F)c1 823833530 DFBSPHBCZMYOFK-UHFFFAOYSA-N 319.358 -0.551 50 20 DBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CN(C(=O)O)C1 831742510 IKDAYJWJDVKMAT-UHFFFAOYSA-N 323.265 -0.099 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2sccn2c1=O 843641982 HZOSMOANMCZEJJ-YUMQZZPRSA-N 322.346 -0.058 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@H]1CCCS1(=O)=O 848367873 NOTXDDBVQAMEIR-LLVKDONJSA-N 311.363 -0.177 50 20 DBGD CCOC(=O)[C@@H](N)C(=O)NNc1ncc(Br)cn1 852897957 VJYFVAVPCHXZIT-LURJTMIESA-N 318.131 -0.427 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(O)n1 862461405 OXJCNIXDRSUCLS-VIFPVBQESA-N 306.322 -0.050 50 20 DBGD COC(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862461845 RUJDABNJWDSDKX-NSHDSACASA-N 319.317 -0.558 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cn[nH]c1)n1nnnc1C(C)(C)C 862471054 PFRCFRNYRGOLEX-SSDOTTSWSA-N 306.330 -0.284 50 20 DBGD COC(=O)[C@@H](C)CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 863871924 GRPWXHNDGRJQCO-VIFPVBQESA-N 323.129 -0.081 50 20 DBGD COC(=O)[C@@H](CC1CC1)NC(=O)c1cc(B(O)O)ccc1F 863885994 RHRVQLHCHWPQSG-GFCCVEGCSA-N 309.102 -0.423 50 20 DBGD O=C(NC[C@@H]1CCCN1CC(F)F)c1cccc(B(O)O)c1 863887807 WFPBRCQSEMKZMG-LBPRGKRZSA-N 312.125 -0.174 50 20 DBGD CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCCCl)C1 882039453 OJDNQSDZWCWMSG-SECBINFHSA-N 318.848 -0.041 50 20 DBGD Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)NNC(=O)CCO 1320240912 MDDOCIIBPORFQQ-UHFFFAOYSA-N 311.342 -0.814 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 1320520847 GNSHMLZMZDNGFP-UHFFFAOYSA-N 306.322 -0.571 50 20 DBGD Cc1ccncc1/C=C\C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1323729854 PCMADZFFUOAEDG-DLGQBQFBSA-N 323.374 -0.015 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 1324146516 WCCNZKLRWWHOTL-QMMMGPOBSA-N 308.319 -0.851 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1c(C)c(C(F)(F)F)nn1C 1324844741 GWFLSKFJSPTVFT-UHFFFAOYSA-N 307.232 -0.147 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)Cc2cc[nH]n2)CCCC1 1325320522 FRXRQQACQNECON-UHFFFAOYSA-N 314.367 -0.543 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O)n1 1326826521 FWPSIQKZGQPZRU-SECBINFHSA-N 314.367 -0.233 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1Cl 1329079789 BEIFREKFWZWBKO-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD CC(C)[C@@H](C(=O)O)C(=O)NNc1nc(O)c2cnn(C)c2n1 1588807953 GHPIRLOFBNVJAT-SSDOTTSWSA-N 308.298 -0.131 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 1588869788 DXNNUKWPGTVHET-UHFFFAOYSA-N 316.730 -0.151 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ncccc1C(=O)O 1589148004 YACCXOGUBWBEIB-XCBNKYQSSA-N 322.321 -0.502 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1 1591212023 ICHVSFCXSAUCBX-UHFFFAOYSA-N 315.290 -0.872 50 20 DBGD CCC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1594722681 WLTWFMORFHTHJI-UHFFFAOYSA-N 307.262 -0.550 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNC(=O)c2ccccn2)C1=O 1595084756 XKQXOVYXYXOPNI-VIFPVBQESA-N 320.305 -0.834 50 20 DBGD O=C(O)c1occc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1602588378 TWRWZEZVNWHYFR-MRVPVSSYSA-N 300.292 -0.137 50 20 DBGD C=C(CCC(=O)O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1602774377 HYBBLIYOGWKSCO-SNVBAGLBSA-N 304.368 -0.100 50 20 DBGD COCCN(C)c1ccc(C=NNC(=O)NCC(=O)O)cn1 1610257864 IKALEDXRSMCOCE-UHFFFAOYSA-N 309.326 -0.118 50 20 DBGD O=C(O)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1776027726 AXJIWOFIXGMQHN-VIFPVBQESA-N 311.319 -0.335 50 20 DBGD CO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841354197 MIDHLSLVUVPBNR-UWVGGRQHSA-N 304.774 -0.176 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1 1843500043 VSWDPAWUBRDBTD-JTQLQIEISA-N 312.757 -0.174 50 20 DBGD O=C(Cn1ccc(=O)[nH]c1=O)NNC(=O)c1ccccc1F 16174534 BKPLPFWRYRANLV-UHFFFAOYSA-N 306.253 -0.863 50 20 DBGD C[C@@H]1CCNC(=O)[C@@H]1NCC(=O)NNC(=O)c1ccccc1 193650304 NDBQWFLMQOSIKQ-ZWNOBZJWSA-N 304.350 -0.438 50 20 DBGD Cc1cc(F)ccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273504311 PUHCIIHYTPSGGI-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1nnc(C2CC2)s1 273631605 QQUKNGMENDKZPH-UHFFFAOYSA-N 320.396 -0.080 50 20 DBGD CN(C)[C@H](CNC(=O)c1ccc(B(O)O)cc1)c1ccco1 584924905 MRGGOGZRKMUCJW-CYBMUJFWSA-N 302.139 -0.008 50 20 DBGD CC(=O)N[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584931671 DKIYAAACLYXDTD-NSHDSACASA-N 308.118 -0.754 50 20 DBGD CCN1CCC(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584934227 MRHGJKGKOPZEDT-UHFFFAOYSA-N 308.162 -0.033 50 20 DBGD NC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584939190 HBMUUNONXWYQBA-NSHDSACASA-N 304.155 -0.516 50 20 DBGD CC[C@@H](CO)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584964505 IUFYQXXPMAKKRU-LBPRGKRZSA-N 324.161 -0.966 50 20 DBGD O=C(N[C@H](CCO)C1CCOCC1)c1ccc(B(O)O)cc1 584976154 RGKHIERTJYELFU-CQSZACIVSA-N 307.155 -0.726 50 20 DBGD O=C1C[C@H](NCc2ccc(B(O)O)o2)CN1C1CCCCC1 585035388 SGODLKVAXHTWLV-NSHDSACASA-N 306.171 -0.017 50 20 DBGD O=C(NCB(O)O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 585059750 AHGSTACBMDSDTK-GFCCVEGCSA-N 320.154 -0.568 50 20 DBGD O=C(CCN1C(=O)COc2ccccc21)N1CC[C@@H](B(O)O)C1 585070426 ZSQWLPJCAQNWFI-LLVKDONJSA-N 318.138 -0.123 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H](C)CS(C)(=O)=O 732667616 UDXNTEZPCNJJNM-MNOVXSKESA-N 321.443 -0.067 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)NC1CCCCC1 733123711 BJCHLMTXGKYIIO-UHFFFAOYSA-N 323.353 -0.410 50 20 DBGD Cn1cc(C(N)=O)cc1C(=O)NNc1cc(Cl)nc(N)n1 753464128 LVUQTPZWZOUYPD-UHFFFAOYSA-N 309.717 -0.094 50 20 DBGD COCCC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC1 758050978 DLRMNOQYHSLRPE-SECBINFHSA-N 321.399 -0.722 50 20 DBGD CC[C@@H](CN1CCCC1)NC(=O)NNC(=O)C(=O)NC1CC1 758847633 FMAMMHJEQWRPAB-JTQLQIEISA-N 311.386 -0.530 50 20 DBGD CN(NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)C(N)=O 770439592 LIFORRAKXHPMIY-UHFFFAOYSA-N 317.305 -0.700 50 20 DBGD O=C(NNc1ncncc1Cl)N[C@@H]1CCS(=O)(=O)C1 780171774 PUSFFPWRWQWJLR-ZCFIWIBFSA-N 305.747 -0.057 50 20 DBGD Cc1cc(C)nc(NNC(=O)CN(C)S(=O)(=O)N(C)C)n1 816836821 ATNTXLQWFHHOAG-UHFFFAOYSA-N 316.387 -0.725 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NN(CC)CCO 823852982 WCOLBMRMQCNNRD-GFCCVEGCSA-N 321.443 -0.074 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)Cc1cn2ccccc2n1 829504461 OJQFHEWAOZBIHA-NSHDSACASA-N 306.322 -0.314 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)NC2(CO)COC(C)(C)OC2)cn1 834504509 CMIIAGBZQISWDF-UUILKARUSA-N 320.349 -0.043 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(=O)OC 839480561 JTGCMGWUZMDYNO-UHFFFAOYSA-N 318.333 -0.186 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H]([C@@H](C)N)C2)cc1 843356531 WQAWYCQAMZTTAF-TZMCWYRMSA-N 320.393 -0.196 50 20 DBGD O=C(NNc1nc2ccccn2n1)[C@@H]1CCc2nnnn2CC1 846003918 VCBZQPOTFDJQSP-SECBINFHSA-N 313.325 -0.188 50 20 DBGD CNC[C@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1 851679756 FAAGZGMVMLTPCN-JTQLQIEISA-N 304.354 -0.185 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 854181043 RMCVJEGNUZCUMK-GWCFXTLKSA-N 319.317 -0.405 50 20 DBGD CC(C)CCOCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858162047 MPKDNQQLNXDTDE-JTQLQIEISA-N 300.359 -0.342 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCc3ncsc3C2)N1 858699532 SCPXNAYBFXAGCZ-MRVPVSSYSA-N 309.351 -0.479 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2scc3c2OCCO3)N1 862464233 VOLOYGGWRRPRIA-LURJTMIESA-N 311.319 -0.441 50 20 DBGD Cc1cc(F)c2c(c1)C(=NNC(=O)CS(C)(=O)=O)C(=O)N2 863187632 CWPWYDWOKLHTRZ-UHFFFAOYSA-N 313.310 -0.049 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCCN(C)C2=O)n1 873803651 OJMHLPWIKMOEBR-LBPRGKRZSA-N 321.381 -0.094 50 20 DBGD C[C@@H]1CCCN1CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 897475716 AVDXJYDVGDXLCZ-DGCLKSJQSA-N 318.443 -0.148 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NN(C)C[C@@H](C)O 910169308 AOAWHBYVFPJPCR-NEPJUHHUSA-N 321.443 -0.076 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc[n+]([O-])cc2)C[C@H](C)O1 912924704 HBWCWDMGANIXMZ-RYUDHWBXSA-N 322.365 -0.420 50 20 DBGD C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)n1cccn1 912994535 RPUKGJCEUSKWMP-QWRGUYRKSA-N 300.384 -0.064 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1nccs1 1118805932 LVLZPJHPESXGJJ-YUMQZZPRSA-N 311.367 -0.144 50 20 DBGD CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1119084353 QYIPGUQUHKCFGI-ZEDNOMKYSA-N 318.399 -0.857 50 20 DBGD C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(B(O)O)cc2)C1 1124001365 SRJVTDKAXPGJEX-GFCCVEGCSA-N 318.182 -0.255 50 20 DBGD O=C1CC2(CCN(C(=O)c3cc(B(O)O)ccc3F)CC2)N1 1261848091 NQWAXEJWSAMUFH-UHFFFAOYSA-N 306.102 -1.000 50 20 DBGD O=C(NC[C@@H]1CCN(C2CC2)C1)NNC(=O)C(=O)NC1CC1 1319046698 HTNKSEVCZQGQMB-VIFPVBQESA-N 309.370 -0.920 50 20 DBGD CN(C)N(C(=O)CC1OCCCO1)[C@@H]1CCS(=O)(=O)C1 1323331367 LCJXNWZRPDTEHW-SNVBAGLBSA-N 306.384 -0.368 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](C(N)=O)c1ccccn1 1326299607 RMEVFBZZYZFNHE-NGZCFLSTSA-N 321.337 -0.637 50 20 DBGD CCc1cc(C(=O)NNC(=O)CS(C)(=O)=O)cc(O)n1 1330167853 GCORYQBWGYEWLX-UHFFFAOYSA-N 301.324 -0.845 50 20 DBGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)c1cn[nH]c1 1331690221 IJPUOWKJQWTCCB-QMMMGPOBSA-N 300.340 -0.614 50 20 DBGD NC(=O)COc1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1 1342375177 TWYIPOFMDCTYQD-UHFFFAOYSA-N 317.305 -0.723 50 20 DBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)c2ncnn21 1549316539 SOBOOAOETZUPKH-SCVCMEIPSA-N 304.354 -0.074 50 20 DBGD C=CCNC(=S)NNC(=O)c1cn([C@H]2CCCNC2)nn1 1574942852 HEFVAUWNZQUQRQ-VIFPVBQESA-N 309.399 -0.503 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1nnn([C@H]2CCNC2)c1C(F)F 1576271795 IDLXHBDOCSNNHM-YUMQZZPRSA-N 318.328 -0.293 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnc3sccn3c2=O)[nH]n1 152955159 VIVJWYFLAVWJIP-UHFFFAOYSA-N 318.318 -0.138 50 20 DBGD O=C(NNC(=O)C1CCC1)c1cnc2nc(O)nc(O)c2c1 264765421 NKICTQVBGXILHZ-UHFFFAOYSA-N 303.278 -0.003 50 20 DBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 285576426 KAFZATVOAGJRLK-DTWKUNHWSA-N 323.305 -0.644 50 20 DBGD CCN1C[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CC1=O 286763102 VTNCUJCLKYXOMR-JTQLQIEISA-N 315.337 -0.026 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1COc2ccccc2O1 299069895 NUOKWXMSDZWZQO-GFCCVEGCSA-N 319.317 -0.404 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N(C)C 494641940 USJKCFMRRRLGTI-VIFPVBQESA-N 302.375 -0.001 50 20 DBGD COC(=O)NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 495367577 RGTSNSZNALKBOC-ZDUSSCGKSA-N 306.278 -0.258 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 496762952 HZXXSRXCVJHJHW-HZGVNTEJSA-N 308.250 -0.147 50 20 DBGD O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(B(O)O)cc1 584929761 VAKVOACBOOBTOU-UHFFFAOYSA-N 316.166 -0.503 50 20 DBGD Cc1nn(C)c(C)c1CNC(=O)c1cc(B(O)O)ccc1F 584955878 YMVUZGRVTUIRLG-UHFFFAOYSA-N 305.118 -0.214 50 20 DBGD CCC[C@@]1(C)C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584978863 FBWPWFOGRDOCIQ-HNNXBMFYSA-N 322.145 -0.364 50 20 DBGD C[S@](=O)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584985957 TXIHTNSZBRNQTH-NRFANRHFSA-N 313.159 -0.464 50 20 DBGD OB(O)c1ccc(CNCc2ccnc(O[C@H]3CCOC3)c2)o1 585034915 VIPOFLQWHUQQAO-ZDUSSCGKSA-N 318.138 -0.188 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C(=O)Nc2ccccc21 728437774 WXOJGROVHANKSL-ZETCQYMHSA-N 310.335 -0.603 50 20 DBGD COC(=O)c1ncn(CC(=O)NNC(=O)c2cccs2)n1 732718261 SUGJCHGKQSOTRC-UHFFFAOYSA-N 309.307 -0.413 50 20 DBGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)N1CCOCC1 745986386 QZMVDNFVURUHSS-NSHDSACASA-N 301.343 -0.355 50 20 DBGD CN(C)C(=O)NNC(=O)CNC(=O)NCc1ccc(F)cc1 746006073 MILLAKWHTQXDSH-UHFFFAOYSA-N 311.317 -0.073 50 20 DBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 746103713 WRSKFKUAQMPDIA-AXFHLTTASA-N 317.411 -0.559 50 20 DBGD Cc1cnc(C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 751211566 IHGQQUTXBXPSGQ-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD COc1ccccc1-c1nn(C)cc1C(=O)NNC(=O)CO 753438657 PJRVBFLHCKGUAA-UHFFFAOYSA-N 304.306 -0.151 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccc1F 779491675 SXNCHEXHXXCDRC-UFBFGSQYSA-N 323.324 -0.138 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1ncncc1Cl 780989618 XVXOZIXXLZQIRO-UHFFFAOYSA-N 322.778 -0.305 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cc([C@H]2CCCO2)nn1C 788725068 LZWVRPNZSUXBRC-SNVBAGLBSA-N 310.358 -0.014 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1 789856243 BGTKDJXNLNUINN-UHFFFAOYSA-N 319.317 -0.143 50 20 DBGD NS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1 799982154 VOIMEZUKNKBDEF-VIFPVBQESA-N 304.372 -0.720 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(=O)N1CCC[C@H](C)C1 805563710 ZWWPJCLUKVSWGZ-VHSXEESVSA-N 313.354 -0.266 50 20 DBGD COC(=O)CNC(=O)NN=C1CCCc2c1ccc(=O)n2C 814901126 ZDHQQLBTXNCXIB-UHFFFAOYSA-N 306.322 -0.102 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1ccccc1F 821124510 WUUWBAPTUDFWPG-UHFFFAOYSA-N 305.331 -0.117 50 20 DBGD O=C(NNS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccccn1 833148394 ILOZDJNFRHNSFC-UHFFFAOYSA-N 310.291 -0.269 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1N 855834001 UOKIJBCJGJGXER-UHFFFAOYSA-N 324.385 -0.294 50 20 DBGD CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 862448293 BTIZBJWUKUEYFA-VIFPVBQESA-N 306.322 -0.126 50 20 DBGD COCC(=O)N(C)CC(=O)NNCC(F)(F)C(F)(F)F 863097001 BPRSHCAYZMKLMJ-UHFFFAOYSA-N 307.219 -0.090 50 20 DBGD CCOC(=O)N1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 863878379 DOZNLRVMBKKDFU-GFCCVEGCSA-N 306.127 -0.673 50 20 DBGD CC(C)C(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)s1 915189374 QCPKPONQJJMXLB-UHFFFAOYSA-N 305.381 -0.259 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2n[nH]c(O)n2)cc1OC 918277645 HEBLXXKKELAVAU-UHFFFAOYSA-N 307.266 -0.398 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CS(C)(=O)=O 919694028 PDHWJYLLQPSZCV-UHFFFAOYSA-N 310.335 -0.552 50 20 DBGD Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)C(=O)NC1CC1 1116569544 OWPUBQVXGRGFHS-UHFFFAOYSA-N 307.354 -0.014 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1116597654 NLQVMVQJYYHUGM-MRVPVSSYSA-N 306.322 -0.083 50 20 DBGD CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118860227 KIOLFGXNTLZWCL-GMTAPVOTSA-N 311.386 -0.532 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccn(CC(F)(F)F)n1 1120767784 OLAMGVDKFKYUOV-UHFFFAOYSA-N 324.259 -0.131 50 20 DBGD CNC(=O)NNC(=O)CSc1nnnn1CC(F)(F)F 1251678245 UBVPPDVSOKQNKD-UHFFFAOYSA-N 313.265 -0.712 50 20 DBGD O=Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cs1 1252776884 YBKGGZGEMKMWLD-SSDOTTSWSA-N 316.360 -0.244 50 20 DBGD Cc1ccncc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1318831515 YVAAGHWTEVXFHF-VIFPVBQESA-N 312.351 -0.479 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(C(N)=O)C1 1320492782 XYVMDVZYIIBWJN-IUCAKERBSA-N 314.342 -0.734 50 20 DBGD CC(C)NC(=O)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1322626664 SUYPWWTUIAUQPK-UHFFFAOYSA-N 311.342 -0.506 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1nnc(O)c2ccccc12 1322814552 AWWBVSAHTKVKQW-SNVBAGLBSA-N 318.289 -0.488 50 20 DBGD Nc1cnnc(NNC(=O)[C@H]2CCCS(=O)(=O)C2)c1Cl 1326454319 GGZHSKIDHPKERQ-LURJTMIESA-N 319.774 -0.020 50 20 DBGD C[C@@H]1C(=O)CC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1(C)C 1329208452 QTOMXLSLUOGAKB-RKDXNWHRSA-N 318.395 -0.180 50 20 DBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)C1CCOCC1 1330831788 ZMPNVWXFTCUEQL-SNVBAGLBSA-N 312.370 -0.246 50 20 DBGD Cc1csc(NC(=O)NNC(=O)CN(C)C)c1-c1nn[nH]n1 1592321320 PPOOOWVNKMBOBP-UHFFFAOYSA-N 324.370 -0.049 50 20 DBGD Cn1cnc(NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1592587766 OQTMZUIYSGUMHD-UHFFFAOYSA-N 301.274 -0.461 50 20 DBGD O=C(NNC(=O)c1ncccn1)c1ccc(-c2nn[nH]n2)nc1 1593159451 NIDMWVFRFXVIBD-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD O=C1CC[C@H](C(=O)NN=Cc2ccc(-c3nn[nH]n3)s2)N1 1593388527 RNFYHHIXASHGHE-SSDOTTSWSA-N 305.323 -0.343 50 20 DBGD O=C(NNc1nc[nH]n1)C1=NN(c2ccccc2)[C@H](C(=O)O)C1 1594781254 JVZNAFIYHXLKSC-JTQLQIEISA-N 315.293 -0.033 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cn1 1600944486 AKUZZOKHROALLU-URWNVNSQSA-N 304.306 -0.379 50 20 DBGD O=C(NCCc1nnc(-c2ccccc2)o1)NNC(=O)C(=O)O 1608455568 CSCKKFANQIZPKA-UHFFFAOYSA-N 319.277 -0.306 50 20 DBGD O=C(CN1CSCC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 17329746 FYHMVTMCMLHPOW-UHFFFAOYSA-N 324.318 -0.111 50 20 DBGD CS(=O)(=O)N1CCC(NS(=O)(=O)CCCCl)CC1 36881975 KWHWCLPYGYTFAL-UHFFFAOYSA-N 318.848 -0.041 50 20 DBGD COc1ccc(S(=O)(=O)N[C@H](C(=O)NN)C(C)C)cc1 255987590 MIIZKJVFCAEFBE-NSHDSACASA-N 301.368 -0.012 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnsn2)C[C@@H](C)O1 264819288 HFNNXRHEQBHOGJ-RKDXNWHRSA-N 313.383 -0.202 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CC(=O)N(CC)C1 265847373 COHLXGZSOJCSJW-VIFPVBQESA-N 312.370 -0.693 50 20 DBGD CN(NC(=O)CCNS(=O)(=O)c1cccs1)C(N)=O 272245879 YFBCXTWQNPAQTI-UHFFFAOYSA-N 306.369 -0.542 50 20 DBGD Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)C(C)(C)O)c1 278058244 XZVRNYMUYRRYMN-UHFFFAOYSA-N 307.350 -0.048 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)[C@@H]1CCCO1 292064010 CVMVGYYUUIGNKF-VIFPVBQESA-N 310.266 -0.917 50 20 DBGD O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)[C@@H]1CCCO1 294103168 RWIZVMHZELGOHI-NWDGAFQWSA-N 304.306 -0.099 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 490673636 IYVLAANLLRERKD-UHFFFAOYSA-N 304.280 -0.057 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCCC(N)=O 496863913 JNBRSPOPVHMTBI-UHFFFAOYSA-N 302.331 -0.686 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cccc(B(O)O)c1 584909664 HIDDHDBSQBTHRJ-SNVBAGLBSA-N 304.155 0.000 50 20 DBGD O=C(CCNC(=O)c1cc(B(O)O)ccc1F)NC1CCCC1 584934199 MFYQSHKLKQVIKZ-UHFFFAOYSA-N 322.145 -0.316 50 20 DBGD CC(C)(C)N1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC1=O 584955987 VLNSPKLGOMXVFF-LBPRGKRZSA-N 304.155 -0.504 50 20 DBGD O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc(B(O)O)ccc1F 584957686 HWWGTRUSDHYHOL-SNVBAGLBSA-N 303.102 -0.484 50 20 DBGD CCO[C@@H]1C[C@](CO)(NC(=O)c2cccc(B(O)O)c2)C1(C)C 584979295 POPXKHDTGWJDAD-CZUORRHYSA-N 321.182 -0.338 50 20 DBGD CCOCCOCCN(C)C(=O)c1ccc(B(O)O)c(F)c1 584980165 SBODFBVJGVWLGG-UHFFFAOYSA-N 313.134 -0.369 50 20 DBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@@]1=O 584982615 LRUQNODEBYCQMH-FPVGNUTFSA-N 313.159 -0.511 50 20 DBGD CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)ccc21 585058882 SJHLUYRNGCGFIZ-SNVBAGLBSA-N 324.167 -0.557 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 743729517 LAHFZWDIHIAVGB-UHFFFAOYSA-N 311.327 -0.825 50 20 DBGD Nc1nonc1C(=O)OCC(=O)NNC(=O)c1cccs1 744865838 IMZPVMPWZMVMTF-UHFFFAOYSA-N 311.279 -0.669 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 762866596 PXXXFMFMGZWRDD-JTQLQIEISA-N 322.369 -0.329 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 763158765 QASFYTXMPMYWQN-UHFFFAOYSA-N 322.350 -0.172 50 20 DBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1 765678477 TVRGQFUJWNUPMC-VXGBXAGGSA-N 319.365 -0.131 50 20 DBGD CON(C)S(=O)(=O)c1cccc(C(=O)NN(C)C(N)=O)c1 770532747 JUSKKFADZAHAEA-UHFFFAOYSA-N 316.339 -0.476 50 20 DBGD C[C@H]1CC(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777712517 BUUJZXQOAXNOEQ-VIFPVBQESA-N 310.379 -0.281 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)Cc2ccncc2)cn1 779668524 AOWHVARCFBGOGZ-UHFFFAOYSA-N 315.289 -0.338 50 20 DBGD Cc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999904 MDRGLNYFFQAHRX-UHFFFAOYSA-N 318.333 -0.297 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](OC)c1cnn(C)c1 798774583 QEUCNHXOVKAUCO-LDYMZIIASA-N 312.326 -0.403 50 20 DBGD NS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2ccccc2)C1 799858555 AJIZPDIJQWFFEL-JTQLQIEISA-N 312.351 -0.596 50 20 DBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)S1(=O)=O 805772650 MLRDIDLOPMWJIC-GXSJLCMTSA-N 317.411 -0.559 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCC1 813378018 LHQUFDZLULVRPZ-UFBFGSQYSA-N 304.368 -0.880 50 20 DBGD COC(=O)c1ccccc1NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 831711175 BDWYIROJWZHJHQ-JHJVBQTASA-N 322.317 -0.671 50 20 DBGD N#Cc1ccc([C@H](NNC(=O)[C@H]2COCCO2)C(=O)O)cc1 833071320 DYZRMSSECROVKW-NEPJUHHUSA-N 305.290 -0.280 50 20 DBGD O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)N1 845071739 FXPOAXPKDAAXSA-MRVPVSSYSA-N 300.296 -0.270 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCNC1=O 854190702 GWMMQTHFAGWAJH-SECBINFHSA-N 307.306 -0.643 50 20 DBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)N1CCN(C)CC1 854382984 RPLLXYPXCVKGKX-UHFFFAOYSA-N 302.338 -0.137 50 20 DBGD C[C@H]1CCSCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858699223 MFLKWTVTBXBBGA-DTWKUNHWSA-N 300.384 -0.167 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(N(C)C)n1 860811711 YPWUIVKMEFCSGS-SNVBAGLBSA-N 320.353 -0.113 50 20 DBGD CCN(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862453806 ZGJQTPOOMVBTBA-LBPRGKRZSA-N 304.350 -0.061 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)N1 862460220 GLHWWCNEAILUQR-GXSJLCMTSA-N 322.277 -0.946 50 20 DBGD CN(C/C=C/C(=O)NNC(=O)[C@H]1CCC(=O)N1)CC(F)(F)F 862462308 PJHUVPIJJKEDRQ-UFUPEUMYSA-N 322.287 -0.537 50 20 DBGD Cc1csc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)N2)c1 862479932 HFXBBNDQSQRHCN-SSDOTTSWSA-N 303.365 -0.491 50 20 DBGD Cc1oc(C(C)C)nc1C(=O)NNC(=O)CS(C)(=O)=O 863465582 CCYKANIBVUOVKH-UHFFFAOYSA-N 303.340 -0.088 50 20 DBGD C[C@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)N(C)C 879419658 COZBYMIJSBZXMO-SECBINFHSA-N 302.375 -0.001 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NN(C)C[C@@H](C)O)c1 910174701 HVWVUBNOYZFTFV-SNVBAGLBSA-N 315.395 -0.139 50 20 DBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CCNC(=O)C1 1116837363 DVCIIPQDVHVVJF-QMMMGPOBSA-N 312.351 -0.697 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1cccnc1)N1C(=O)CCC1=O 1251620215 XDOKVHCFIKEAAW-SECBINFHSA-N 304.306 -0.691 50 20 DBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)C(C)C)cn1 1254897562 XBRIUWMWZGPHSN-UHFFFAOYSA-N 324.337 -0.151 50 20 DBGD CC(C)n1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1 1261128497 TXZYMLMBRJVWPT-SECBINFHSA-N 314.371 -0.321 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1 1261762942 LQUFWGPGLSOUJT-SNVBAGLBSA-N 306.322 -0.043 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1C 1320710453 CKVZCKHIICUSTP-UHFFFAOYSA-N 304.262 -0.874 50 20 DBGD CNC(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1324305957 NWTGGZRGILDSGW-SSDOTTSWSA-N 304.347 -0.389 50 20 DBGD CC(=O)CC(C)(C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1326202712 UQHXDAUNDPSEQO-JTQLQIEISA-N 318.395 -0.036 50 20 DBGD Cc1cc(C)n(CCC(=O)NNC(=O)CS(C)(=O)=O)n1 1329208896 VXIIXPMIUSMHRN-UHFFFAOYSA-N 302.356 -0.918 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cn[nH]c1 1330108397 ODNDJGOPZQBLBB-QMMMGPOBSA-N 318.380 -0.909 50 20 DBGD COCCn1nc(C(=O)NN=c2cc[nH]c(C)c2)ccc1=O 1330115333 QUDYAKFFGPIPQB-UHFFFAOYSA-N 303.322 -0.228 50 20 DBGD Cc1ncc(/C=C/C(=O)NNC(=O)CS(C)(=O)=O)s1 1331832967 DMOJGDGGBHKOFH-ONEGZZNKSA-N 303.365 -0.343 50 20 DBGD NC(=O)CSc1ccccc1NC(=O)NNC(=O)CCO 1342574359 RXCUVMLKRJWMOA-UHFFFAOYSA-N 312.351 -0.201 50 20 DBGD O=C1CC[C@H](C(=O)NN=Cc2cc(-c3nn[nH]n3)cs2)N1 1593388188 LXIHJLGZKOCHIA-MRVPVSSYSA-N 305.323 -0.343 50 20 DBGD COC(=O)c1cc(C(=O)O)cc(S(=O)(=O)NNC(C)=O)c1 1598923459 KLRMMOUFVNDKLI-UHFFFAOYSA-N 316.291 -0.499 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)CS(C)(=O)=O)c(C)c1C(=O)O 1599954029 SBOOWWFJBZANTR-UHFFFAOYSA-N 317.323 -0.865 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(=O)O)co1 1776042118 MMWWMFTUNXFUIG-LURJTMIESA-N 303.296 -0.634 50 20 DBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(OC)c1 264391418 SPLLWASGVRTBGZ-UHFFFAOYSA-N 316.335 -0.491 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)COc1cc(C)cc(C)c1 270548352 ZIIALYGFIPMYRV-UHFFFAOYSA-N 308.338 -0.241 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C=CCCC1 275189652 JPDUDCTXZIAFNR-ZJUUUORDSA-N 303.384 -0.182 50 20 DBGD CNC(=O)NNC(=O)CNC(=O)c1ccccc1OC(F)F 299201815 OKMKXYBGFDDEMG-UHFFFAOYSA-N 316.264 -0.022 50 20 DBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)CS2 370260621 ITODRYOZMDKIHX-NOZJJQNGSA-N 323.378 -0.446 50 20 DBGD CCN(CC)C(=O)CN(C)C(=O)c1cc(B(O)O)ccc1F 584925865 RDCCLYLHFALHFT-UHFFFAOYSA-N 310.134 -0.554 50 20 DBGD CN(C)C1(CNC(=O)c2cc(B(O)O)ccc2F)CCOCC1 584947162 HUGHSPMWOSSYSM-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584961385 RCWOEBFWTHMRPG-BXKDBHETSA-N 308.118 -0.721 50 20 DBGD O=C1CC[C@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@@H]2N1 585007378 LIHCRBBOUPTILP-AAEUAGOBSA-N 302.139 -0.893 50 20 DBGD CN1CCN(CCNCc2ccccc2B(O)O)CC1(C)C 585039774 VLNIAAIXJQXAJX-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCB(O)O 585060138 NLWNQNNQARRDHC-QMMMGPOBSA-N 303.120 -0.636 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNC(=O)C1CC1 725739267 BFCJCQFWAFIBKV-UHFFFAOYSA-N 324.362 -0.849 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)c2c[nH]nc2C)n1 732084062 IXHDMULJTLFAFT-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNc2cccnn2)C1 736385865 AIOOZFVJCDSXSO-LLVKDONJSA-N 321.385 -0.310 50 20 DBGD COCc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)no1 742611582 BJDFBLTYLBVQDA-UHFFFAOYSA-N 322.277 -0.395 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746096233 QUXUIPHBMQBXDC-GEVSDDDWSA-N 323.349 -0.659 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)N1CCCC1=O 748557432 JDWUYZBZRVAPCT-NSHDSACASA-N 310.354 -0.941 50 20 DBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(C(N)=O)nn1 757404316 ORNQEUHTVZEMEI-IUCAKERBSA-N 309.326 -0.397 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@H](O)C[C@H]2C)n1 761113061 MODDGRVAOVVWCS-NXEZZACHSA-N 312.395 -0.403 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 764933098 UVWJDIBBZQYIGR-UHFFFAOYSA-N 324.362 -0.356 50 20 DBGD C=CCNS(=O)(=O)c1ccc(C(=O)NN(C)C(N)=O)cc1 770439516 IURJVPVWCUQMOW-UHFFFAOYSA-N 312.351 -0.194 50 20 DBGD O=C(CO)NNC(=O)Cc1cc(Cl)c2c(c1)OCCO2 777782031 VGGLGXXOEJZAFW-UHFFFAOYSA-N 300.698 -0.207 50 20 DBGD C[C@H](NCC(=O)NNC(=O)c1cccs1)c1ncn(C)n1 781948739 KJFWAXMKKWNAEW-QMMMGPOBSA-N 308.367 -0.012 50 20 DBGD C[C@]1(NNC(=O)C(=O)Nc2ccccc2)CCS(=O)(=O)C1 783427103 LLOCVADYZJRRBK-ZDUSSCGKSA-N 311.363 -0.177 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNc2ncc(F)cn2)c(=O)c1 790906249 VNVKQIYONSJQFZ-CQSZACIVSA-N 321.312 -0.020 50 20 DBGD Cc1ccn(-c2ccc(NC(=O)C(=O)NNC(=O)CO)cc2)n1 793031651 UWMMLGOPMYLLRC-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc2c1CCO2 797004034 GRDOOLWBNNBPIK-UHFFFAOYSA-N 307.306 -0.256 50 20 DBGD CNC(=O)[C@@]1(C)CCN(CC(=O)NNC(=O)c2cccs2)C1 797527523 IQLOADFYABVOTQ-AWEZNQCLSA-N 324.406 -0.033 50 20 DBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NN(C)[C@H](C)CO 823965528 OKQUETPWLAAPDB-SFYZADRCSA-N 300.388 -0.168 50 20 DBGD C[C@@H]1CCNC(=O)[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1 839592443 JWRUHHVTAWHDSY-RNCFNFMXSA-N 322.340 -0.299 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 843655027 HNVWIEHKQMKWCW-AEJSXWLSSA-N 304.368 -0.474 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1 847293628 IWKYUJLFLGNTQI-QWRGUYRKSA-N 318.333 -0.408 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cn2nnc3c2CCCC3)cn1 847506946 ORYLZGBRKUVNQI-UHFFFAOYSA-N 303.326 -0.648 50 20 DBGD C[C@]1(NNC(=O)NCC2(N)CCCC2)CCS(=O)(=O)C1 851670944 CHDUSXCXHPHNGQ-NSHDSACASA-N 304.416 -0.361 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 854929616 NGNLFRBSWCQHDC-DTORHVGOSA-N 312.395 -0.371 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)n1 854956373 HQHFMJMJBXEZTF-SOCHQFKDSA-N 314.729 -0.706 50 20 DBGD COCC1(C)CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858695989 JIOXNDFHGUYBDI-SNVBAGLBSA-N 312.370 -0.246 50 20 DBGD CCOC[C@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858697545 SQKJBNYSOIYTET-WDEREUQCSA-N 312.370 -0.246 50 20 DBGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450066 NGFRZMHJABECOU-SFYZADRCSA-N 324.362 -0.708 50 20 DBGD Cc1csc(C(=O)NNC(=O)CN(C)S(C)(=O)=O)c1 862475742 VTOKQAFAZDRYFH-UHFFFAOYSA-N 305.381 -0.291 50 20 DBGD CCOC(=O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863869979 ABGMDLLMEVYBPP-UHFFFAOYSA-N 305.139 -0.218 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(F)c1 873804527 IIAXUAUFWMTVJP-UHFFFAOYSA-N 312.301 -0.376 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)CC2)cc1O 882048811 TYRJGPLLTYBUIC-UHFFFAOYSA-N 306.366 -0.291 50 20 DBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1OC 919678298 SLOLOSGOZWHJQV-UHFFFAOYSA-N 316.335 -0.491 50 20 DBGD CS(=O)(=O)c1ccc(C=NNC(=O)C(=O)NC2CC2)cc1 1115870302 GTTPAVGSKBKGIL-UHFFFAOYSA-N 309.347 -0.181 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCc2ccccc2[C@@H]1C(N)=O 1117756521 DRGRZHIVDSCOLB-CQSZACIVSA-N 318.377 -0.126 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(CN3CCCC3)on2)N1 1261829766 APESNQWVTYNWLB-JTQLQIEISA-N 321.337 -0.690 50 20 DBGD Cc1cc(=O)oc2cc(NC(=O)C(=O)NNC(=O)CO)ccc12 1320238279 YHAHZUQUHWIRRD-UHFFFAOYSA-N 319.273 -0.820 50 20 DBGD CC(C)N(C)c1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1320521155 OMVXYXNJWTZDHI-UHFFFAOYSA-N 322.365 -0.001 50 20 DBGD COc1cccc(NNC(=O)C(=O)Nc2cccn(C)c2=O)n1 1320915095 IFXZKLBIADLQNZ-UHFFFAOYSA-N 317.305 -0.129 50 20 DBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)Cc1cccnc1 1323622605 RQQXWUZBJDCJJO-UHFFFAOYSA-N 309.351 -0.324 50 20 DBGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1335330251 SCZGDYVMCTUYJK-RKFFSXRUSA-N 323.374 -0.608 50 20 DBGD CC(C)n1cc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1335364941 ZYNAQZFJGTWRIY-VIFPVBQESA-N 315.355 -0.948 50 20 DBGD CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CCO)c1C 1343596702 RKHPCLQRDLZXEU-MRVPVSSYSA-N 311.342 -0.369 50 20 DBGD CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)[C@H]1COCCO1)C(=O)C2 1548661623 MSIPLILDVWOUEX-FCHSOHFDSA-N 310.350 -0.055 50 20 DBGD CC(C)(C)OC(=O)[C@@]1(C(=O)NNC(=O)C2CC2)CNCCO1 1575151439 YNJJUJQSUQTYAT-AWEZNQCLSA-N 313.354 -0.756 50 20 DBGD Cc1nc(N)nc(C)c1C(=O)NNC(=O)CCCc1cnn[nH]1 1577557680 OXRPOTAMNJTHFN-UHFFFAOYSA-N 318.341 -0.422 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CCc2c(N)cnn2C)n1 1579584312 CNWBRNVFIIVPOC-UHFFFAOYSA-N 319.369 -0.404 50 20 DBGD NC[C@H]1C[C@H](NC(=O)NNC(=O)Cc2cn3ccccc3n2)C1 1580333181 SGFYGLUQPDGETC-XYPYZODXSA-N 316.365 -0.056 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1589406610 YZKRNHDUJBDDLP-UHFFFAOYSA-N 317.309 -0.391 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)COc2ccccc2O1 1594019889 MRWXVCDDFFWMQR-CYBMUJFWSA-N 309.278 -0.369 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(C)(C)C(=O)O)CC1 1604860140 RRXRRRMBZLOJOZ-SNVBAGLBSA-N 314.386 -0.587 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCCO1 1609478058 SCBCALHUUULQKB-SECBINFHSA-N 305.298 -0.855 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)c1ccccc1 109859200 YLDAZLWEQNWIIH-UHFFFAOYSA-N 301.306 -0.091 50 20 DBGD CCOC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 198560506 NJNHGCHEDOLTIU-UUTMEEIUSA-N 307.306 -0.429 50 20 DBGD O=C(CN1CCO[C@@H](C(=O)O)C1)NNC(=O)c1ccccc1 314581400 AITATHUBMRXZKJ-LLVKDONJSA-N 307.306 -0.767 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2COc3ccccc3C2)c1=O 371824469 LHWIHBKIHVGZJQ-LLVKDONJSA-N 300.318 0.475 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 490895186 ZRZXQAIKEFSZRF-NSHDSACASA-N 323.305 -0.280 50 20 DBGD COC(=O)N(C)NC(=O)CNS(=O)(=O)c1c(C)noc1C 496799203 YPNASFZSMGTVGY-UHFFFAOYSA-N 320.327 -0.701 50 20 DBGD CNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584965150 OKNDHYCWJJPYFY-GXFFZTMASA-N 322.145 -0.460 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(O[C@@H]2CCOC2)CC1 584999602 YACUALMNGIABSN-OAHLLOKOSA-N 319.166 -0.224 50 20 DBGD CC(C)C(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2F)C1 585030949 MHKRLUKKMPMYDF-ZDUSSCGKSA-N 308.162 -0.148 50 20 DBGD CC[C@@H]1CN(CCNCc2ccc(B(O)O)cc2F)CCO1 585038679 KFSXMNJQCJKGAX-CQSZACIVSA-N 310.178 -0.294 50 20 DBGD O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](B(O)O)C1 585069092 KNSXTILTGUNSEU-NSHDSACASA-N 315.138 -0.138 50 20 DBGD CS(=O)(=O)N1CCN(CC(=O)NNc2ccccn2)CC1 731848832 OMPRCWPPNFZCKK-UHFFFAOYSA-N 313.383 -0.898 50 20 DBGD CC(C)[C@@H](C#N)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 733197934 FKSWJZKJCJBJJW-CYBMUJFWSA-N 307.398 -0.290 50 20 DBGD C[C@@]1(NNC(=O)N[C@@H]2CCN(C3CC3)C2)CCS(=O)(=O)C1 734279519 SWTGSOJKKOVIGS-ZWNOBZJWSA-N 316.427 -0.396 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)c1cn(C)c(=O)n(C)c1=O 735030587 XIDPHIXROJNHLF-UHFFFAOYSA-N 316.317 -0.533 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CC(=O)N(C2CC2)C1 743470577 GODXKGPXPCNKFJ-SSDOTTSWSA-N 301.310 -0.193 50 20 DBGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)C(C)(C)C 750286939 QCLZDTYCNPCZSJ-VIFPVBQESA-N 320.415 -0.213 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1cccc(C(N)=O)n1 757738149 JYQWYKWNAHRDSF-UHFFFAOYSA-N 303.282 -0.321 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1cccnc1 758056320 TYOSKZUXCLPGKJ-UHFFFAOYSA-N 316.277 -0.029 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCc2ccn(C)n2)n1 761014540 RZTZNHAIUGZEDP-UHFFFAOYSA-N 319.369 -0.193 50 20 DBGD C=CCCOCC(=O)NNC(=O)CNC(=O)c1cccnc1 764341996 BLKLLHPLAMYHAD-UHFFFAOYSA-N 306.322 -0.449 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=C1CCN2CCC[C@H]12 765566368 WDZOBPKTFMWPIX-MRVPVSSYSA-N 324.366 -0.285 50 20 DBGD COc1ccc(C)cc1-n1ccc(C(=O)NNC(=O)CO)n1 777782558 IFHUFFNTPDOEPY-UHFFFAOYSA-N 304.306 -0.057 50 20 DBGD O=C(NNC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)N1CCCC1 788743540 WUBBIORSSLMTLS-LLVKDONJSA-N 318.333 -0.225 50 20 DBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C1=CCOCC1 792824035 XRQNVCAIEQMOFR-UHFFFAOYSA-N 314.305 -0.230 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2ncn(C)n2)cc1OC 809949998 IWVRCLMWCPODRJ-UHFFFAOYSA-N 305.294 -0.093 50 20 DBGD O=C1C[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)NC(=O)N1 816915253 ULQFNPHLNYILSD-ZETCQYMHSA-N 317.265 -0.827 50 20 DBGD C[C@]1(C(=O)NNC(=O)COCc2ccccc2)CCNC1=O 820151576 HPBMISFTADQZPX-HNNXBMFYSA-N 305.334 -0.123 50 20 DBGD CC(C)N1CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1=O 827269168 VQGFGCURNPVVOH-MNOVXSKESA-N 312.370 -0.295 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CCCN2C=O)nc2ccccc2c1=O 827622011 SSZFZXUFSBCRRK-LBPRGKRZSA-N 315.333 -0.003 50 20 DBGD COC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(C)C 843654136 ZJTKOQBXBQEGLC-BBBLOLIVSA-N 301.343 -0.061 50 20 DBGD CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858467240 LURXYDYAHJIXCP-MNOVXSKESA-N 313.402 -0.284 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1(F)F 858700534 NTVZJUWOXJJCJT-SFYZADRCSA-N 304.297 -0.017 50 20 DBGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C12CCC2 858703155 SYYHVYNASJYCLA-OPRDCNLKSA-N 310.354 -0.447 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCN(c3ccccc3)C2)N1 862462868 ZNHXZUCTCDGWKC-YPMHNXCESA-N 316.361 -0.061 50 20 DBGD C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)CS(C)(=O)=O 863459606 WLOSWQLUBDIASN-QMMMGPOBSA-N 318.326 -0.215 50 20 DBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)NC(C)C 912524804 YKLNYJSKVFMFGA-UHFFFAOYSA-N 305.316 -0.903 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H](O)CCc1ccccc1 913732295 PMDZEVBUYGCDLM-ZDUSSCGKSA-N 319.361 -0.250 50 20 DBGD CCN1CCC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1=O 928862852 BTYMSWJWPBUMKM-GFCCVEGCSA-N 308.118 -0.754 50 20 DBGD C[C@@]1(CCCC(=O)NNC(=O)c2cccnc2)NC(=O)NC1=O 1116325346 BVNGPYJDKUFLON-AWEZNQCLSA-N 319.321 -0.389 50 20 DBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cn2n1 1261202981 KDHCTKVRQSKAJV-UHFFFAOYSA-N 302.294 -0.466 50 20 DBGD CC(C)NC(=S)NNC(=O)CCn1cnc2c(N)ncnc21 1261661675 XXMVHCJFBVLRBU-UHFFFAOYSA-N 322.398 -0.298 50 20 DBGD CCOC(=O)/C(C#N)=C\NNC(=O)Cc1cc(O)nc(S)n1 1317732311 JRAZRKLGLKRLHX-SREVYHEPSA-N 323.334 -0.395 50 20 DBGD CCOC(=O)NNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1319313704 LTYPLVKRHYSQNQ-MRVPVSSYSA-N 308.356 -0.254 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C[C@@H]2CCOC2)CC1 1319994921 JATNZNOCVXDKIY-STQMWFEESA-N 312.414 -0.414 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(O)n1 1322976280 ZWQKJWZBCFLVRJ-UHFFFAOYSA-N 304.262 -0.429 50 20 DBGD O=C(NNC(=O)N1CCC[C@H](n2ccnn2)C1)c1ncccn1 1329181073 YEUVMHVJWNRJCL-JTQLQIEISA-N 316.325 -0.240 50 20 DBGD CCOc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)[nH]n1 1329312171 OMDKEGOUBYMLSS-VIFPVBQESA-N 316.383 -0.086 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1336373320 JMPKBIOROWHVRN-SECBINFHSA-N 310.310 -0.781 50 20 DBGD CC[C@@H](C)n1nc(NC(=O)C(=O)NNC(=O)CCO)cc1C 1342608575 VPGFSBRGCVARSW-MRVPVSSYSA-N 311.342 -0.369 50 20 DBGD C[S@@](=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1351519982 AAMYTVIATHGNSF-ZQJOYCHOSA-N 324.362 -0.145 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)C(=O)O 1573798065 NFSDPNWRNQFABV-QMMMGPOBSA-N 300.315 -0.950 50 20 DBGD CC[C@H](COCC(F)(F)F)NC(=O)NNC(=O)C(=O)O 1595197785 BWTCCJCVORUWPN-RXMQYKEDSA-N 301.221 -0.241 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 1602804332 HSWCYMUEPSOSDS-ZETCQYMHSA-N 318.330 -0.438 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1604203811 TWGLZIAYWVCQGX-IUCAKERBSA-N 319.358 -0.302 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cn1ccccc1=O 7950442 CZPBZWIXDUPDKZ-UHFFFAOYSA-N 318.289 -0.981 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 138954058 RESMWKYNWXIRPP-ZETCQYMHSA-N 308.429 -0.350 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)Cc2ccn(C)n2)C[C@@H](C)O1 180776176 GZMWKNDBDJHBBR-VXGBXAGGSA-N 323.397 -0.391 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2cnccn2)C1 265218104 WPMSUCXQVYQUDE-JTQLQIEISA-N 313.383 -0.019 50 20 DBGD Cn1ccnc(NNC(=O)CNC(=O)C2CCCCC2)c1=O 267053548 BZELXXCAXFTMRF-UHFFFAOYSA-N 307.354 -0.080 50 20 DBGD Cn1nc(C(=O)NNC(=O)C2(C)COC2)c2ccccc2c1=O 272847004 PQWQMKLBIMVCSO-UHFFFAOYSA-N 316.317 -0.269 50 20 DBGD CN(C)CC(=O)NNc1ccccc1S(=O)(=O)N(C)C 294726899 TWLBFTGNSRCPCI-UHFFFAOYSA-N 300.384 -0.058 50 20 DBGD C[C@@H]1[C@H](NS(=O)(=O)CBr)CCS1(=O)=O 307428598 UHJZPULVCNDDGR-PHDIDXHHSA-N 306.203 -0.166 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1cc2n(n1)CCCC2 376741688 CCNPCJCCIYVDBM-UHFFFAOYSA-N 303.326 0.338 50 20 DBGD CCOCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 490725698 JKQLJIJVCATQAR-UXBLZVDNSA-N 307.310 -0.188 50 20 DBGD CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584931670 DKIYAAACLYXDTD-LLVKDONJSA-N 308.118 -0.754 50 20 DBGD C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc(B(O)O)c1 584978511 UAQHPQJGOXFHEL-CYBMUJFWSA-N 319.214 -0.878 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](Cn2ccnn2)C1 585007761 HLABHNRWOJJJEA-JTQLQIEISA-N 318.117 -0.741 50 20 DBGD C[C@H](CNCc1ccc(B(O)O)cc1F)CN1CCOCC1 585025476 VJDNPENHKYTWBD-GFCCVEGCSA-N 310.178 -0.437 50 20 DBGD COc1ccc(N2C[C@H](C(=O)NCB(O)O)CC2=O)c(OC)c1 585059133 ZVZDWTFKDDJMRU-SECBINFHSA-N 322.126 -0.815 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCS(C)(=O)=O 732199482 MNWAMOJRASTJBB-JTQLQIEISA-N 307.416 -0.455 50 20 DBGD Cn1nnc2cc(C=NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc21 737427151 IRHGFPUBKZFPNY-JTQLQIEISA-N 321.362 -0.147 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 745927583 AHNMMZDLVQEPRP-JTQLQIEISA-N 300.359 -0.390 50 20 DBGD CC(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)CO)cc1 753436725 CARKNGVVCZESKH-UHFFFAOYSA-N 314.363 -0.449 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1nccnc1N 771927404 HVVHPYGPPKQRAS-QMMMGPOBSA-N 309.326 -0.202 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCN1C[C@H](C)O[C@H](C)C1 789330822 XSJPTAFHXGUUKO-XQQFMLRXSA-N 314.430 -0.027 50 20 DBGD CCCN(CC(N)=O)CC(=O)NNC(=O)c1cccc(C)c1 795504412 AVCSWAQIJUFAKR-UHFFFAOYSA-N 306.366 -0.047 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801109160 GTGFXMPBOKKNKR-SNVBAGLBSA-N 320.349 -0.004 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cncc(-n3ccnn3)c2)n[nH]1 801934630 OUWKKBUWAOWSIS-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)N=c1cc[nH]cc1 802024917 NCVOMNXRIKXJNG-UHFFFAOYSA-N 317.305 -0.012 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839624137 YDIWGZIOIQAJDS-RNFRBKRXSA-N 312.307 -0.710 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccccc1 843976063 PSYTUCBSUNTOQK-CMPLNLGQSA-N 305.334 -0.011 50 20 DBGD CNC(=O)NCC(=O)NNc1ncc(Br)cn1 848321352 QQFVHPMKPGIMNX-UHFFFAOYSA-N 303.120 -0.389 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCOCCF 852037201 KXSBKEOXONBOCY-UHFFFAOYSA-N 316.289 -0.674 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)Cc2nnc(O)o2)cc1 852189104 WIUVZXXKFHADGG-UHFFFAOYSA-N 319.321 -0.023 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](C)Sc1nnnn1C1CC1 854925916 PEQRFKJEDMMDML-LURJTMIESA-N 315.428 -0.044 50 20 DBGD O=C(CSCc1cccnc1)NNC(=O)[C@@H]1CCC(=O)N1 862451816 HBBZSDRGJRUUAI-JTQLQIEISA-N 308.363 -0.259 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(F)c1 862460418 GGHOHNVNSUAQPQ-JTQLQIEISA-N 323.280 -0.348 50 20 DBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862464100 SEGHMCUVMLGSLB-MNOVXSKESA-N 312.370 -0.647 50 20 DBGD CCCN1C[C@@H](C(=O)NNC(=O)COCCOC)CC1=O 869905791 RAPFBRLATAVOTH-JTQLQIEISA-N 301.343 -0.945 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CSCCS2)N1 875360656 KEKWWZPAVKRKBD-HTQZYQBOSA-N 318.424 -0.556 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)CC(F)(F)F 875908590 JDUNFTSGOZKLQC-RXMQYKEDSA-N 300.237 -0.323 50 20 DBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)C2CCOCC2)CC1=O 883440022 HIVHEJYYHSRDPZ-NSHDSACASA-N 312.370 -0.247 50 20 DBGD Cc1cccc(C)c1OCC(=O)NNC(=O)CS(C)(=O)=O 919680442 SXBURZHVULBSCU-UHFFFAOYSA-N 314.363 -0.126 50 20 DBGD O=C(CSCC(=O)N1CCOCC1)NNc1ncccn1 920288925 RVWQXGGMGADSGQ-UHFFFAOYSA-N 311.367 -0.488 50 20 DBGD CN(C)N(C(=O)Cc1cncc(O)c1)[C@@H]1CCS(=O)(=O)C1 1118706531 ODMOIUKDCHXBTD-LLVKDONJSA-N 313.379 -0.178 50 20 DBGD C=C(C)CN1CCC(NC(=O)NNC(=O)C(=O)NC2CC2)CC1 1318307895 UZZVSLNVXTZKIQ-UHFFFAOYSA-N 323.397 -0.364 50 20 DBGD O=C(CC[C@H]1CCCO1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319301404 GSSJWDGDNYXYRM-NXEZZACHSA-N 304.368 -0.472 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccsc1C(=O)OC 1320379338 RLJUWAHALFNTTH-UHFFFAOYSA-N 301.280 -0.140 50 20 DBGD NS(=O)(=O)C1CCN(C(=O)NNC(=O)C2CCCC2)CC1 1322643930 FZWJJFSUSORORE-UHFFFAOYSA-N 318.399 -0.330 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F 1326543846 OTRRUHBXILDMRM-UHFFFAOYSA-N 323.231 -0.829 50 20 DBGD Cc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 1338611163 DDKPFZWPDGDMIA-UHFFFAOYSA-N 304.306 -0.640 50 20 DBGD CN1CCN(C(=O)CNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1 1348043287 OUFXKHLUEUOJLT-QPEQYQDCSA-N 316.365 -0.783 50 20 DBGD C[C@]1(C(=O)N2CCC(O)(C(N)=O)CC2)C[C@@H]1Br 1354014538 FZYMZMULYGWNSI-XVKPBYJWSA-N 305.172 -0.001 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1574106524 VVLPCPHTZDNWMM-NSHDSACASA-N 318.289 -0.063 50 20 DBGD COC(=O)C(=O)NN=C1CCc2ccc(-c3nn[nH]n3)cc21 1591226034 JOADLTKQSPHKJU-UHFFFAOYSA-N 300.278 -0.194 50 20 DBGD Cc1c(NNC(=O)C[C@@H]2NC(=O)NC2=O)cccc1C(=O)O 1600051770 WLOJLKHBBKPKAC-VIFPVBQESA-N 306.278 -0.266 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1ncccc1C(=O)O 1605689426 CXHWPHFXAXUVBI-UHFFFAOYSA-N 307.266 -0.835 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1609282119 FZZLIMIGOXFXED-SNVBAGLBSA-N 301.310 -0.069 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)c(C)c1 1610242253 VWJMCIBRIHHLOI-UHFFFAOYSA-N 309.278 -0.574 50 20 DBGD CN(CC(=O)NNC(=O)NCC1CC1)c1ncnc2nc[nH]c12 139309265 QPGMCFWMVRQONJ-UHFFFAOYSA-N 318.341 -0.471 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)COCc2ccccc2)CC1=O 265626010 OZBGJVQOCYNKFH-LBPRGKRZSA-N 305.334 -0.171 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 267499127 MAPLXTLGUGNKHG-LLVKDONJSA-N 317.349 -0.282 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2)O1 268315374 LLEPZNTZOHNZNH-GHMZBOCLSA-N 306.322 -0.337 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CC(=O)N[C@H](C)C1 296043924 BQRQNJHRZLBIQZ-GFCCVEGCSA-N 318.377 -0.495 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 495174146 NJEGBUJYQNISEE-ZCFIWIBFSA-N 313.232 -0.711 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)ccc1F 495691410 AYLHCOWPFYKDPR-UHFFFAOYSA-N 305.287 -0.184 50 20 DBGD CCOC(=O)NNC(=O)Nc1ccc(S(=O)(=O)NC)cn1 496250613 BAUUKDZMMVFHIE-UHFFFAOYSA-N 317.327 -0.228 50 20 DBGD CCNC(=O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584939768 MSYPFHRQQFSBPW-UHFFFAOYSA-N 304.155 -0.645 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 584996773 PIGHLGWBASKGTJ-VNHYZAJKSA-N 303.167 -0.011 50 20 DBGD Cc1c(C(=O)NCB(O)O)nnn1-c1cccc2cnccc12 585061107 LGZKZOWNBZMDBB-UHFFFAOYSA-N 311.110 -0.134 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737201798 IVKGTWOQFDTCBP-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD CC(C)C(=O)NNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 745882266 GUIVJBYBDPUOFF-SNVBAGLBSA-N 322.369 -0.098 50 20 DBGD O=C(CNC(=O)c1ccncc1)NNC(=O)Cc1ccncc1 747515884 VQPJAMHUNGDMHG-UHFFFAOYSA-N 313.317 -0.404 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(=O)n2C)n1 756868949 XWEIGSOOYTVULT-UHFFFAOYSA-N 303.322 -0.340 50 20 DBGD COCCC[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758046725 JNUYHKYLTDHRQW-RKDXNWHRSA-N 309.388 -0.866 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1C[C@]12CCOC2 763765113 WBAVSHZNIHLUJF-ABAIWWIYSA-N 318.333 -0.615 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O 768772059 XPSWQXVHPMSYNR-SKDRFNHKSA-N 322.321 -0.332 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)NC(=O)OC 772089174 GZMOUMDOTKJQHM-SSDOTTSWSA-N 303.315 -0.390 50 20 DBGD O=C(CO)NNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 777781925 IRDROSXSYRDUTM-UHFFFAOYSA-N 306.253 -0.875 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)Cc1cn2ccccc2n1 780955314 MMKFNFYVUVNTAQ-UHFFFAOYSA-N 303.322 -0.450 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1N 782161976 ITEOWBDEVWWFEJ-UHFFFAOYSA-N 304.266 -0.015 50 20 DBGD COCCCNC(=O)NNC(=O)CC[C@@]1(C)CCC(=O)N1 793207720 PWNNDTHMDMILNH-CYBMUJFWSA-N 300.359 -0.198 50 20 DBGD CCO[C@@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1SC 807970842 YQEZBRLPHGBMBL-SFGNSQDASA-N 323.440 -0.063 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(CCO)C[C@H](C)O)cc1 810039969 KSRSHABIEUNLHC-LBPRGKRZSA-N 309.366 -0.569 50 20 DBGD C=C[C@](C)(O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 826121795 UZNWZXMWGUTHDZ-HNNXBMFYSA-N 319.365 -0.223 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCOCCN(C)C 826979471 OANVKAFWTWLOTF-WDEREUQCSA-N 302.375 -0.680 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ccn1 832674277 CSGWMKSITDQJLS-SCZZXKLOSA-N 322.321 -0.399 50 20 DBGD CCONC(=O)CNC(=O)NNc1ccc(-n2ccnc2)nn1 846723712 IEGJZMAYIYSNPE-UHFFFAOYSA-N 320.313 -0.644 50 20 DBGD COC(=O)[C@@](C)(CO)NCC(=O)NNC(=O)c1cccs1 852157462 JKJZZIBOHLQYCX-GFCCVEGCSA-N 315.351 -0.977 50 20 DBGD CNC(=S)N(C)NC(=O)Cc1csc(-c2nc[nH]n2)n1 854925192 FQBVXMNIZSGIPB-UHFFFAOYSA-N 311.396 -0.062 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(S(=O)(=O)NC)cc1 854928018 MMYFTCIQFXKVSF-UHFFFAOYSA-N 316.408 -0.324 50 20 DBGD CC(C)CCOCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858162048 MPKDNQQLNXDTDE-SNVBAGLBSA-N 300.359 -0.342 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCCCS2)N1 858402981 PUHBSQJKLABXRD-RKDXNWHRSA-N 300.384 -0.119 50 20 DBGD Cc1nc(C(=O)NNC(=O)CS(C)(=O)=O)c2ccccn12 863463687 QXFFLCNOEBESGY-UHFFFAOYSA-N 310.335 -0.552 50 20 DBGD CO[C@@]1(C(=O)NNC(=O)N2CCN(C)CC2)CCSC1 897537988 SVFOWORDVWDDLS-LBPRGKRZSA-N 302.400 -0.503 50 20 DBGD CN(NC(=O)C1CN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 909942303 VVYFFGXUQXLTKP-UHFFFAOYSA-N 307.372 -0.224 50 20 DBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)C2CC2)c1 913415782 IUGLWPFHHCZSQL-UHFFFAOYSA-N 322.346 -0.606 50 20 DBGD O=C(CCCS(=O)(=O)N1CCCC1)NNC(=O)C1CC1 917388480 JOCZTLXDHPMCOE-UHFFFAOYSA-N 303.384 -0.250 50 20 DBGD Cn1cc(C(=O)C(=O)NNC(=O)COc2ccccc2O)cn1 1116006460 PQPIEYBZSOEDBE-UHFFFAOYSA-N 318.289 -0.465 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@@]2(CCOC2)O1 1118810633 LMKSHGKZQRMXGO-TVQRCGJNSA-N 309.326 -0.356 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NN[C@@H](C)C(F)(F)F 1261829276 KBYOJEMXULIQDK-ZETCQYMHSA-N 312.292 -0.410 50 20 DBGD Cc1cc2ncc(C(=O)NNC(=O)C(=O)NC(C)C)c(C)n2n1 1317743444 FYONUCFBUDPQEE-UHFFFAOYSA-N 318.337 -0.368 50 20 DBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 1319340615 FHTBLKZVNGYYLF-JTQLQIEISA-N 310.354 -0.985 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1csc([C@@H](C)OC)n1 1319492046 LFHDJISRDYCENJ-ZCFIWIBFSA-N 316.339 -0.146 50 20 DBGD CS(=O)(=O)N1CCC(C(=O)NNc2ncc(F)cn2)CC1 1319789308 QUUJEKHCJAVYFS-UHFFFAOYSA-N 317.346 -0.270 50 20 DBGD O=C(NN=c1cc[nH]cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 1320066135 QTHIHAPAVIFTIY-LBPRGKRZSA-N 319.346 -0.323 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1 1320579554 AHCFKWDXFWWLTC-UHFFFAOYSA-N 301.205 -0.776 50 20 DBGD CNC(=O)NNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C 1324076377 BGDYNAKKWUALPO-SNVBAGLBSA-N 310.358 -0.557 50 20 DBGD CCCOc1cccc(NC(=O)C(=O)NNC(=O)C(=O)OC)c1 1324362344 MPBKNPWAARVJPD-UHFFFAOYSA-N 323.305 -0.266 50 20 DBGD O=C(NNC(=O)c1cccc(O)c1)N[C@@H]1CCS(=O)(=O)C1 1325077800 SNXAESFIQKUBQU-SECBINFHSA-N 313.335 -0.477 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNC(=O)OCC(F)(F)F 1328421776 KZFVMNJIQMAFDP-UHFFFAOYSA-N 310.188 -0.731 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2noc3ccccc23)N1 1337638537 VYJJTLWDTMDHJD-VIFPVBQESA-N 317.305 -0.063 50 20 DBGD COCC1(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1349433770 RWJWDEMTHOSXCG-VIFPVBQESA-N 304.368 -0.615 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1cccnc1 1351153992 VMEWOLNKICDQNI-YPMHNXCESA-N 303.366 -0.840 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(C2CC2)c1 1351693172 NRUHHIIPAFAPCN-MRVPVSSYSA-N 312.351 -0.586 50 20 DBGD Cc1cc(NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)nc(C)n1 1574343200 ITJRCTQDQHFOSV-JTQLQIEISA-N 321.337 -0.140 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCCO2)CO1 1574685882 GRSHTBFLNDGALD-IVZWLZJFSA-N 300.311 -0.417 50 20 DBGD CC(C)(C)[C@H](N)CC(=O)NNC(=O)CNC(=O)c1ccco1 1575113352 RTBHAQZDPLBVHF-SNVBAGLBSA-N 310.354 -0.080 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCNC3)cn1 1579953166 LWBATELHHZAHLG-UHFFFAOYSA-N 315.333 -0.023 50 20 DBGD C[C@H](CC(=O)O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1592360360 VGURQVGZNLHSQG-SSDOTTSWSA-N 303.315 -0.231 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(-c2nn[nH]n2)n1 1593158330 RKRZXBGOYMLWMV-JTQLQIEISA-N 317.309 -0.408 50 20 DBGD OB(O)c1ccc(CNCc2nc(-c3nn[nH]n3)cs2)cc1 1593498771 TYRJNCDDKMQSCM-UHFFFAOYSA-N 316.155 -0.707 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)c(C(=O)O)s1 1598955715 OGVPJAFNZPLZBW-UHFFFAOYSA-N 322.320 -0.438 50 20 DBGD CO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841354198 MIDHLSLVUVPBNR-VHSXEESVSA-N 304.774 -0.176 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCCC2)NNc1ncccn1 119392623 ACGZWOGVRXIZTC-UHFFFAOYSA-N 303.326 -0.296 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2cccc(C)n2)CC1=O 279861634 VEVTXWGKVISSID-NSHDSACASA-N 320.349 -0.354 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)c(C)cc1C 280943963 FUZVCZZMRNBSCH-UHFFFAOYSA-N 322.365 -0.040 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H](F)C(F)(F)F 290560750 QSUHSSCLYWBNNF-QMMMGPOBSA-N 322.218 -0.141 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CCc2nc(N(C)C)no2)O1 293826446 FUWAELYKKHVDKL-IUCAKERBSA-N 311.342 -0.217 50 20 DBGD COCCN(CCO)CC(=O)NNC(=O)Cc1ccccc1C 298139085 OBJVGQQQPHIBDN-UHFFFAOYSA-N 323.393 -0.374 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C(C)C)N1CCCC1=O 299618164 PVLYMRCMXCLMQK-LLVKDONJSA-N 312.370 -0.695 50 20 DBGD COCCN(CC(=O)O)CC(=O)NNC(=O)c1ccccc1 314801410 LULBKHOTGUWNLV-UHFFFAOYSA-N 309.322 -0.519 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 364080606 HJQWKHMGXQJGJI-QMMMGPOBSA-N 317.309 -0.296 50 20 DBGD CN(C)C(=O)OC1CCN(CC(=O)NNC(=O)C2CC2)CC1 495793107 LQRPTPOOBIRWCO-UHFFFAOYSA-N 312.370 -0.294 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)C(C)(C)O)C2 496175861 RVNHIRAUDQOVBR-AEJSXWLSSA-N 311.338 -0.452 50 20 DBGD CCN1CCC(C#N)(NC(=O)c2cccc(B(O)O)c2)CC1 584962142 BDOBZLJFODGXGW-UHFFFAOYSA-N 301.155 -0.526 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](N2CCCC2=O)C1 584980482 ATNFCGBMNSMRFL-CYBMUJFWSA-N 302.139 -0.797 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(c2nnco2)CC1 584989325 MEXDOMMPZJXPGJ-UHFFFAOYSA-N 301.111 -0.231 50 20 DBGD CC(C)N1CCC(O)(CNCc2ccc(B(O)O)cc2F)CC1 585030917 LDDXXQLGMHGFBL-UHFFFAOYSA-N 324.205 -0.170 50 20 DBGD CS(=O)(=O)C1(CNCc2ccc(B(O)O)cc2F)CC1 585039474 RXOSNXWSCHEEGG-UHFFFAOYSA-N 301.148 -0.828 50 20 DBGD CN(C)CC(=O)NNC(=O)CCc1nc(O)c2ccccc2n1 727761453 GJYGYYXVFUZLLU-UHFFFAOYSA-N 317.349 -0.023 50 20 DBGD Cc1nc(CN2CCN(CC(=O)NNC(=O)C3CC3)CC2)no1 733995205 DQELHRADLWSZDT-UHFFFAOYSA-N 322.369 -0.947 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)c1 746094592 AANSLJXRDLZNFY-ZDUSSCGKSA-N 323.349 -0.205 50 20 DBGD Cn1ccnc(NNC(=O)c2cc([N+](=O)[O-])cnc2O)c1=O 747938676 XSVCJOHGPVFGJL-UHFFFAOYSA-N 306.238 -0.454 50 20 DBGD Cc1nc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cs1 748443564 DRKPPJIRBUKXJH-UHFFFAOYSA-N 311.367 -0.096 50 20 DBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)O1 756906652 UEPKHTWZBFILMX-BBBLOLIVSA-N 304.368 -0.474 50 20 DBGD CCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)COC 764296243 WQDWDRTWMSKYAX-UHFFFAOYSA-N 320.305 -0.311 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(C)(C)C(N)=O)cc1OC 767412345 YRFMEDOFBHXMEG-UHFFFAOYSA-N 309.322 -0.024 50 20 DBGD O=C(NNc1cnccn1)[C@H]1Nc2ccccc2S(=O)(=O)N1 775281556 UNXVEPZIZRSUOI-NSHDSACASA-N 320.334 -0.350 50 20 DBGD CC1(C)OC[C@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)O1 783279449 ZNQIHZMTUWBVIY-VIFPVBQESA-N 314.342 -0.909 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@@H](N(C)C)C1 788427532 NXTXZITXDIROLZ-GXSJLCMTSA-N 304.416 -0.100 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@@H](N(C)C)C1 788427534 NXTXZITXDIROLZ-MWLCHTKSSA-N 304.416 -0.100 50 20 DBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 800328622 QYSWARSLLOQWDG-QCLAVDOMSA-N 319.383 -0.683 50 20 DBGD CN1CCN(C(=O)NNC(=O)COc2ccc(C=O)cc2)CC1 808030353 BGPODQBTUYTTKY-UHFFFAOYSA-N 320.349 -0.134 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1COc2cc(F)ccc21 814835089 GROLBRBBVZVDEW-SSDOTTSWSA-N 315.326 -0.024 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CC(=O)NC(=O)N1 824693505 GXJVXPUCEUQQMP-JTQLQIEISA-N 320.305 -0.799 50 20 DBGD O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)C(=O)NC1CC1 843756317 XBXKZHXCGIVSFK-UHFFFAOYSA-N 317.345 -0.020 50 20 DBGD COC(=O)[C@@H]1CN(S(=O)(=O)CBr)C[C@H](C)O1 846001019 YULQTEYKPMKZQU-BQBZGAKWSA-N 316.173 -0.069 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 848100227 LJPCPZZDQIVEBX-GHMZBOCLSA-N 305.334 -0.103 50 20 DBGD O=C(NCC1(C(=O)O)CCC1)NNC(=O)C(=O)N1CCCC1 851654355 ZMYJJLYNGREUAL-UHFFFAOYSA-N 312.326 -0.806 50 20 DBGD CCC(CC)[C@@H](O)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858698462 VPLKODKCTLWKDN-ZJUUUORDSA-N 300.359 -0.608 50 20 DBGD COCCc1ccnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 861109450 SOLXMFNGBQAIHQ-JTQLQIEISA-N 321.337 -0.298 50 20 DBGD Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc2n1C 862460066 ZETZFMJBSUKXCE-NSHDSACASA-N 315.333 -0.079 50 20 DBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)CS(C)(=O)=O 863187865 SLAJHTGJMGFONA-SECBINFHSA-N 315.351 -0.283 50 20 DBGD CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cccc(B(O)O)c1 867098313 XYZDOOCAVFVXJA-UHFFFAOYSA-N 313.184 -0.738 50 20 DBGD CC(C)[C@H](C(=O)NN(C)C[C@@H](C)O)N1CCCS1(=O)=O 910159680 AXBUQTJEUKPTDJ-GHMZBOCLSA-N 307.416 -0.610 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1C(N)=O 1115833118 BZMRMXCIZHUYMW-UHFFFAOYSA-N 311.323 -0.925 50 20 DBGD Cn1nncc1NNC(=O)Cn1c(=O)nc(O)c2ccccc21 1117724541 ZHDKIKZOXRERSX-UHFFFAOYSA-N 315.293 -0.626 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCC[S@@](C)=O 1251902302 IVFDQEXQJLPWPG-JOCHJYFZSA-N 323.378 -0.035 50 20 DBGD COCc1cc(CNC(=O)NNC(=O)C(=O)OC)ccc1F 1252437868 AWHPQBAESGHKQB-UHFFFAOYSA-N 313.285 -0.025 50 20 DBGD Cc1coc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 1259177972 BLUBXCHZXLEABI-MRVPVSSYSA-N 303.340 -0.405 50 20 DBGD O=C(CC[C@@H]1CCCO1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319301407 GSSJWDGDNYXYRM-ZJUUUORDSA-N 304.368 -0.472 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1c[nH]nc1-c1ccoc1 1321131891 WWEPRVSUJJBQQJ-UHFFFAOYSA-N 305.294 -0.045 50 20 DBGD COc1ccc(O)c(S(=O)(=O)NNC(=O)c2cnccn2)c1 1323444577 ISZICKZKFOVNET-UHFFFAOYSA-N 324.318 -0.186 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)OC 1324264530 OFBGWPOUIINVRF-VIFPVBQESA-N 309.326 -0.225 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1325335561 LOELNJQQEYQKRN-HZGVNTEJSA-N 307.310 -0.454 50 20 DBGD CC(C)(C(=O)NNC(=O)Cc1cc[nH]n1)S(=O)(=O)C1CC1 1327380511 XSAHUGBYSIMNBG-UHFFFAOYSA-N 314.367 -0.545 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(O)cs1 1327617012 OGEDKRGOEGZVGQ-ZCFIWIBFSA-N 304.349 -0.351 50 20 DBGD O=C(CNC(=O)[C@H]1CCCN1)NNc1ccccc1[N+](=O)[O-] 1332090877 SGGHOFOEWKBNRX-SNVBAGLBSA-N 307.310 -0.094 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCC(=O)c1ccccn1 1348435526 FVQMSWQOAUECBG-UHFFFAOYSA-N 313.335 -0.764 50 20 DBGD O=C(NC[C@@H]1CCC2(CNC2)O1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1580645852 MQISZURWAIBCKB-WRWGMCAJSA-N 324.381 -0.595 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1=CCOCC1 1593157365 KTTNTZJIZXPAML-UHFFFAOYSA-N 314.305 -0.026 50 20 DBGD O=C(N[C@@H](C(=O)O)c1ccsc1)c1ccc(B(O)O)cc1 1601404199 ANXAADKJQBXHMF-LLVKDONJSA-N 305.120 -0.016 50 20 DBGD O=C(O)CCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1601985266 NFAMRGMORFELEQ-QMMMGPOBSA-N 300.315 -0.760 50 20 DBGD CC1(C)Cc2cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c2O1 1604554330 FSVOVFNNWAAECP-UHFFFAOYSA-N 321.289 -0.429 50 20 DBGD CN(C)CC#CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604677517 NODYVKBUWAGOKW-UHFFFAOYSA-N 315.341 -0.547 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1605698507 FEFDMNPULCTDNV-HTQZYQBOSA-N 309.278 -0.732 50 20 DBGD O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)COCCO)C1 1845211911 ZKAMFYJCBSRMNH-SNVBAGLBSA-N 308.737 -0.267 50 20 DBGD O=C(C[C@H]1CSCCS1)NNC(=O)C(=O)NC1CC1 269714790 RQSKCNDZCBUUJK-QMMMGPOBSA-N 303.409 -0.349 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCNC(N)=O 273168449 DMLGBKDFYBVGBL-SSDOTTSWSA-N 317.346 -0.895 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)[C@H]1OC 275075855 MBFYGVSWRVACLA-GMTAPVOTSA-N 311.342 -0.444 50 20 DBGD Cc1coc(C)c1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 288846493 HZGCEJPUZJCQFF-SSDOTTSWSA-N 303.340 -0.405 50 20 DBGD COCCN(C)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 294364565 LASZEXLWFGSFQW-UHFFFAOYSA-N 320.349 -0.311 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)OC)c1 490597868 PIJYXYAJKOFNOH-UHFFFAOYSA-N 301.324 -0.096 50 20 DBGD CN(CC(F)(F)F)C(=O)CNC(=O)c1cccc(B(O)O)c1 584952206 TWKDKRJUQFWDLY-UHFFFAOYSA-N 318.060 -0.883 50 20 DBGD O=S(=O)(c1ccc2nc(O)oc2c1)N1CC[C@@H](B(O)O)C1 585059044 XVDZSSHGCDPAIQ-SSDOTTSWSA-N 312.112 -0.229 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@@H](B(O)O)C1 585067454 SPQQKRCLXADOGW-MWLCHTKSSA-N 318.204 -0.832 50 20 DBGD NC(=O)CC1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 728956904 AEFFCZXLXWVARG-UHFFFAOYSA-N 319.365 -0.048 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274537 QMAFWFZQACGURQ-ZCFIWIBFSA-N 306.369 -0.850 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nccs1 729277212 VOECDYACLZANDX-RXMQYKEDSA-N 307.357 -0.767 50 20 DBGD C[C@@H](C(=O)NNC(=O)COc1ccccc1O)n1cncn1 730779184 WNRCTODMPPNXQJ-VIFPVBQESA-N 305.294 -0.229 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)N2CCOCC2)CC1=O 745987841 IAQRTRBSHYXGMP-JTQLQIEISA-N 312.370 -0.294 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNc1nnc(C)c(O)n1 753400408 PXZQIVRUYHWRRS-UHFFFAOYSA-N 318.359 -1.000 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CN1C1CC1 753942380 FPTDCSNQIXWLKI-SCZZXKLOSA-N 309.370 -0.779 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C1CC1)C1CC1 758046764 KBEQOPBWEVHWFB-SSDOTTSWSA-N 303.384 -0.492 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC(O)C1 759872689 AQZYADMPSBKZNB-UHFFFAOYSA-N 322.321 -0.189 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc3n(n2)CCCO3)n1 761405865 IRPHRUSOVHEVBR-UHFFFAOYSA-N 318.337 -0.060 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)c(F)c1 773249416 OFPLLMQCUWDOIE-UHFFFAOYSA-N 305.287 -0.265 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CCN(C)C(=O)[C@H]2C)n1 793219776 DEMISMJWILHVCU-SNVBAGLBSA-N 305.338 -0.093 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cn1 795330238 XWIKUZDVSYHNGR-UHFFFAOYSA-N 311.323 -0.553 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2cnn(C)c2C1 798931121 HNLLGCCIGXRFOQ-JTQLQIEISA-N 309.370 -0.108 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 816769723 UANPJDLDRMHQKY-UHFFFAOYSA-N 321.341 -0.487 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 823970479 HMRIMWSUCSFZAZ-NEPJUHHUSA-N 306.366 -0.226 50 20 DBGD O=C(NNc1ncc(F)cn1)C(F)(F)C(=O)N1CCOCC1 836204572 KHUSHVKIVYWGCZ-UHFFFAOYSA-N 319.243 -0.447 50 20 DBGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C12CCC2 838763530 DDIXBPRGSDIPQI-VHSXEESVSA-N 310.354 -0.447 50 20 DBGD COc1ccccc1C(=O)NNC(=O)C1(S(N)(=O)=O)CC1 845472738 UUVYDVDRHOHZOD-UHFFFAOYSA-N 313.335 -0.723 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)COCc1ccccc1 847512689 WWOIEOIFHSQSSQ-VXGBXAGGSA-N 305.334 -0.138 50 20 DBGD C[C@H](CNC(=O)NNC(=O)COc1ccccc1C#N)C(=O)O 848588048 NRZQAGFFKZGNEC-SECBINFHSA-N 320.305 -0.012 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)N1 858702283 GQBYHQIPPHYTIJ-IJLUTSLNSA-N 324.381 -0.103 50 20 DBGD Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 862451461 NAOSYHKYPWHDBJ-WDEREUQCSA-N 307.354 -0.123 50 20 DBGD CN(C)c1cc(C#N)cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862460561 FWEXSOONIFCDRT-GFCCVEGCSA-N 315.333 -0.336 50 20 DBGD O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1cc(B(O)O)ccc1F 864906565 PJBROXMXPGLZIT-NEPJUHHUSA-N 306.146 -0.138 50 20 DBGD COCCN(CCC(=O)OC)C(=O)c1cccc(B(O)O)c1 865839314 VFLFQAFSEQCMCH-UHFFFAOYSA-N 309.127 -0.982 50 20 DBGD O=C(Cc1cn2c(n1)CCCC2)NNC(=O)CN1CCCC1=O 913733805 WJALBEAUASYDRX-UHFFFAOYSA-N 319.365 -0.468 50 20 DBGD CN(CCCNC(=O)NNC(=O)C1CCCC1)S(C)(=O)=O 916580435 YTRSJDGZWCQUQM-UHFFFAOYSA-N 320.415 -0.212 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CS(C)(=O)=O 920424849 LMOXICIWZZMTBT-UHFFFAOYSA-N 316.335 -0.734 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1ccc[nH]1)CC2 1115961802 WZUPQUJXWOIEJY-SECBINFHSA-N 303.326 -0.126 50 20 DBGD CN(NC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)C(N)=O 1116502993 KNFTZEJDVMCOIN-UHFFFAOYSA-N 312.351 -0.522 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)nn1 1322031293 WRUSRKJWSBQFFO-UHFFFAOYSA-N 309.326 -0.449 50 20 DBGD COCCCNC(=O)NNC(=O)c1nc2ncc(C)cn2n1 1328726764 CFWIXVAYWBQXGK-UHFFFAOYSA-N 307.314 -0.587 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)C(=O)NCC(F)(F)F 1328783582 OOHMCKDOFODDEY-RXMQYKEDSA-N 322.247 -0.579 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ncoc1C1CC1 1347630552 VJZONJYPMHOJDG-QMMMGPOBSA-N 313.335 -0.252 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)N=c1cc[nH]cc1 1520159095 USZOUYVHVWQAPB-CMPLNLGQSA-N 304.354 -0.956 50 20 DBGD COc1cccc(NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)n1 1594131803 NPCPAFVZCYMLQU-VIFPVBQESA-N 322.321 -0.144 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNc2ncncc2F)c1=O 1595156620 MQBSIHQHCGMMPH-UHFFFAOYSA-N 307.241 -0.381 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1596859952 HRGWAGGQSAKCHS-HBIYDYFMSA-N 323.349 -0.182 50 20 DBGD O=[N+]([O-])c1ccc(N2CC[C@H](B(O)O)C2)cc1-c1nn[nH]n1 1607081140 DLOUHZCJFNFICE-ZETCQYMHSA-N 304.075 -0.172 50 20 DBGD CN(C)C(=O)NNC(=O)COc1cccc(-c2nn[nH]n2)c1 1609264885 IPQRNAVVJBVRKF-UHFFFAOYSA-N 305.298 -0.452 50 20 DBGD C[C@@H]1CN(C)C[C@H](C(=O)NN=Cc2c(C(=O)O)cnn2C)O1 1776092526 QLEKCMFYDZSUGD-LDYMZIIASA-N 309.326 -0.713 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)Cn1ccc2ccccc21 90042524 XWZPPRAYWDCNNM-UHFFFAOYSA-N 303.322 -0.282 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](CN2CCOCC2)C1 129256889 SGBQXBAFDHTXPD-QWHCGFSZSA-N 312.414 -0.414 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cnn(C)n1 285981591 FSLWFLRVDWTAFE-SSDOTTSWSA-N 312.330 -0.511 50 20 DBGD CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CO)C(N)=O)cc1 286174154 DCTCOUZNQUHFGT-HJTPGIPUSA-N 303.318 -0.045 50 20 DBGD Cn1cnc(S(=O)(=O)NNC(=O)N2CCOCC2)c1Cl 299436280 NJOPRXNKHBMTQQ-UHFFFAOYSA-N 323.762 -0.691 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)Cc2cc[nH]n2)cn1 492735600 LFDCTIWPMPVYEH-IHWYPQMZSA-N 302.294 -0.388 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1COCCN1C1CCCC1 584914087 PFNVQUHHKNTAOU-OAHLLOKOSA-N 318.182 -0.052 50 20 DBGD C[C@@H]1CN(CCNC(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)CO1 585006152 IPGBMZMFDJQQQX-GHMZBOCLSA-N 324.161 -0.656 50 20 DBGD CCO[C@@H]1C[C@H](NCc2ccc(B(O)O)o2)[C@@H]1n1cccn1 585043040 KDXXZPHTFFEMBI-SCRDCRAPSA-N 305.143 -0.336 50 20 DBGD COc1ccnc(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)n1 730523702 GYPRGWQVVXNOIG-UHFFFAOYSA-N 316.281 -0.987 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)C[C@H]1CCCO1 740812733 YRMFCJCSKZYFPK-SNVBAGLBSA-N 321.399 -0.579 50 20 DBGD CCN(CCO)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 754355164 PCTLOAZDKAGPRM-UHFFFAOYSA-N 310.310 -0.330 50 20 DBGD CN1CC(=O)N(c2cccc(NC(=O)NNC(=O)CO)c2)C1=O 755990562 GKDOJAWGHVQOBD-UHFFFAOYSA-N 321.293 -0.770 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCCOCC1 776632947 JHCRREQDXZUFLU-GHMZBOCLSA-N 303.359 -0.063 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1N 777787789 WPMKOWCSFRKNJH-UHFFFAOYSA-N 304.266 -0.015 50 20 DBGD COC(=O)CNC(=O)CNS(=O)(=O)CCCCCl 780689626 CDXDHQALJPPOLW-UHFFFAOYSA-N 300.764 -0.786 50 20 DBGD O=C(NN/C=C1\C(=O)NC(=O)c2ccccc21)C(=O)NC1CC1 783678093 DDKRWBBXVZFHIO-XFFZJAGNSA-N 314.301 -0.803 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 822838378 WMHXWHIGFMJUNN-RITPCOANSA-N 318.273 -0.061 50 20 DBGD COCCCNC(=O)NNC(=O)C1CCN(C(=O)OC)CC1 823810790 VTAZHAFHIAUVDL-UHFFFAOYSA-N 316.358 -0.168 50 20 DBGD COc1ccnc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 826221077 OFBHMTVMRPORET-UHFFFAOYSA-N 301.270 -0.250 50 20 DBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)s1 833311653 YCXOQJZYRYHKBJ-ZCFIWIBFSA-N 300.292 -0.377 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c1 842000250 UUPMSRXOPWSNTI-IMRBUKKESA-N 304.350 -0.078 50 20 DBGD CN(NC(=O)c1cnn(C[C@H](O)CO)c1)C(=O)OC(C)(C)C 854918899 OCZRETYKZJYJEU-JTQLQIEISA-N 314.342 -0.252 50 20 DBGD Cc1ccncc1CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 857116734 OAZNFEWMYRURAX-SECBINFHSA-N 314.367 -0.982 50 20 DBGD NCC(=O)NNC(=O)c1nc(C2CC2)ncc1Br 857763018 MEWKWCMMUKCLMW-UHFFFAOYSA-N 314.143 -0.164 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 863413092 CATKOJGRMVYCQA-ZETCQYMHSA-N 303.365 -0.355 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn(CC3CC3)c2)CC1 868120807 GLWKTOVADIEUMW-UHFFFAOYSA-N 306.370 -0.105 50 20 DBGD O=C(O)[C@@H](CC1CCOCC1)NCc1ccc(B(O)O)cc1 1262158148 YVEYHZJMPPIJMF-CQSZACIVSA-N 307.155 -0.274 50 20 DBGD NC(=O)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1317903474 JOJOLKNKTCVSQW-LLVKDONJSA-N 309.347 -0.330 50 20 DBGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(C)=O)c1 1320349012 NLOQVLGMZKMQIJ-UHFFFAOYSA-N 323.305 -0.266 50 20 DBGD C[C@@H](C(=O)NNc1ccc(-n2ccnc2)nn1)S(C)(=O)=O 1320981831 MVXCCMWUQNTZMN-QMMMGPOBSA-N 310.339 -0.462 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cnn(-c2ccccn2)c1 1321140549 LUUQMTBSOGAZQA-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD Cn1nncc1C(=O)NNC(=O)CNC(=O)c1cccs1 1321153806 JUHSYGDIZWVOJW-UHFFFAOYSA-N 308.323 -0.932 50 20 DBGD Cc1ncnc(O)c1CCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326673765 AOLCRLMQRFKCNG-MWLCHTKSSA-N 308.338 -0.004 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN(c2ccccc2F)C1 1327720481 NUNUKXWYIHDNDW-VIFPVBQESA-N 324.312 -0.092 50 20 DBGD NC(=O)CSCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1328715697 VPAGHMIXSUJOSB-UHFFFAOYSA-N 311.367 -0.732 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCCC1CCOCC1 1331735850 DULJMOXMJLSYON-UHFFFAOYSA-N 306.384 -0.225 50 20 DBGD O=C(c1cccnc1N1CCOCC1)N1CC[C@H](B(O)O)C1 1335429421 CABCTFNGFXTZKD-NSHDSACASA-N 305.143 -0.393 50 20 DBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(F)F 1343895660 NVPMYYATORFLRA-RNFRBKRXSA-N 313.326 -0.205 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc2n(n1)CCCC2 1346523294 UIJUYLNDAFXNEV-UHFFFAOYSA-N 309.326 -0.658 50 20 DBGD COCCOCC(=O)NNC(=O)c1cc(C(F)(F)F)n(C)n1 1347363827 ZLVAOTKKXDQJCV-UHFFFAOYSA-N 324.259 -0.137 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCc3ncncc3C2)cn1 1349419980 DLMSQYLIGWDNKP-VIFPVBQESA-N 300.322 -0.224 50 20 DBGD CCC[C@H]1C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)CCO1 1351665744 FXZDSONFMCACNA-ZJUUUORDSA-N 306.384 -0.226 50 20 DBGD CCO[C@@H]1C[C@@](N)(C(=O)NNC(=O)COCCOC)C1(C)C 1578090267 HCGXAISFLUZGGW-QMTHXVAHSA-N 317.386 -0.671 50 20 DBGD COc1ccccc1[C@@H](N)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1579301460 MEOZLNMQNNZTBM-JOYOIKCWSA-N 306.322 -0.879 50 20 DBGD O=C(NNC(=O)c1c[nH]nc1[C@@H]1CCNC1)c1ccccn1 1580737623 UFWLGVIDBMSPCX-SECBINFHSA-N 300.322 -0.044 50 20 DBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccnc1 1588807905 LCIDDBBKQJPDLJ-NSHDSACASA-N 322.321 -0.684 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2nn[nH]n2)ccc1F 1593156060 JHYSBRJNYSMLBM-SNVBAGLBSA-N 320.284 -0.054 50 20 DBGD CCOC(=O)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609233072 YPFGAWLMQXKGOV-UHFFFAOYSA-N 318.293 -0.419 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)[C@@H]1COCCO1 1610700246 MASNHGWQFADKNP-GUBZILKMSA-N 300.311 -0.560 50 20 DBGD CCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1842634503 BKTHNQVMWBFGGJ-UHFFFAOYSA-N 316.166 -0.407 50 20 DBGD N#Cc1ccc(CCC(=O)NNC(=O)C(=O)NC2CC2)cc1 10760676 GFARNQQDRPRRKI-UHFFFAOYSA-N 300.318 -0.083 50 20 DBGD O=C(Cc1cccc(F)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 15639560 VBZNLBQSDNYFSI-SNVBAGLBSA-N 314.338 -0.050 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)NCC(=O)N(C)C)cc1 43715360 MNEMSKBJLIPKGR-UHFFFAOYSA-N 324.337 -0.507 50 20 DBGD COc1ccnc(NNC(=O)NCCS(=O)(=O)N(C)C)n1 291032335 HAPHMQNBLSLZHR-UHFFFAOYSA-N 318.359 -0.997 50 20 DBGD C[C@H](C(=O)NNC(=O)c1ccc(Cl)nc1)S(C)(=O)=O 298793960 NAJXLJVYMVEZDF-ZCFIWIBFSA-N 305.743 -0.071 50 20 DBGD CC(=O)N(C)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584935612 RULCSVYPUUGXGS-UHFFFAOYSA-N 304.155 -0.551 50 20 DBGD C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(B(O)O)ccc1F 584949094 GGHSZJMIIFUKPE-QMTHXVAHSA-N 308.162 -0.082 50 20 DBGD O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1cccc(B(O)O)c1 584967780 BWCMGVCUFHDXCK-CABCVRRESA-N 318.182 -0.651 50 20 DBGD Cc1nnc(CCNC(=O)c2cc(B(O)O)ccc2F)s1 584992111 HUSKDTVFWCWMML-UHFFFAOYSA-N 309.131 -0.362 50 20 DBGD O=C(NCCNCc1ccc(B(O)O)cc1F)C1CCCC1 585024484 WMAOIKBCIPRWMJ-UHFFFAOYSA-N 308.162 -0.099 50 20 DBGD O=c1ccc2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)ccc2[nH]1 585058013 QMNUVGQUKFWJSI-JTQLQIEISA-N 322.151 -0.235 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)COCc1ccccc1 738484250 LGIWHIJLEODSSE-OAQYLSRUSA-N 313.379 -0.088 50 20 DBGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)N(C)C)c1 742025515 NWZVATKJYLHGIY-UHFFFAOYSA-N 303.340 -0.255 50 20 DBGD Cn1nnnc1SCCC(=O)NNC(=O)Cc1ccncc1 747324830 KIGCLUIYMGFLJC-UHFFFAOYSA-N 321.366 -0.523 50 20 DBGD CSCCCNC(=S)NNC(=O)C(=O)N1CCCC1 748157527 LNDPPPRRNGWQQO-UHFFFAOYSA-N 304.441 -0.143 50 20 DBGD CCNC(=O)NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 748529309 NDNOAHJPRKQQEO-CQSZACIVSA-N 319.321 -0.295 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)c3cccnc3)nn2)COC1 759379882 NZVGJGMBMSKUCS-UHFFFAOYSA-N 316.321 -0.216 50 20 DBGD Cc1cncc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764342864 IYSROPGFEYFJBL-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD CCCNC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770894117 OFUKSRQJXVBDQE-MRVPVSSYSA-N 308.404 -0.309 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](NC(C)=O)C(C)C 771860475 IQQFLHBEAOIAAV-GZMMTYOYSA-N 301.343 -0.364 50 20 DBGD N#Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c[nH]1 778689389 QXAJDYIPXGSPLM-UHFFFAOYSA-N 301.262 -0.330 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 801068844 KUMAEUINJDHSLY-UHFFFAOYSA-N 320.415 -0.167 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CNC(=O)C1CC1 807369679 FEXNPTFSFDJHPG-UHFFFAOYSA-N 301.343 -0.551 50 20 DBGD CN(NC(=O)Cn1cc(Br)c(O)nc1=O)C1CC1 819643011 VDVWPJNTNGLZRE-UHFFFAOYSA-N 317.143 -0.163 50 20 DBGD CN(C)C(=O)N1CCN(C(=O)NNC(=O)c2ncccn2)CC1 826979895 WWBVCXLDRAFBKS-UHFFFAOYSA-N 321.341 -0.870 50 20 DBGD CN(CC(=O)NNc1ccccc1C(=O)O)S(C)(=O)=O 833692080 KWLRQLVOXROSOF-UHFFFAOYSA-N 301.324 -0.281 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNC(=O)c2ncccn2)CC1=O 841353468 BRKBUGCRWRHUSW-SNVBAGLBSA-N 305.338 -0.258 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 844418605 KTNAGTUTALDHID-OPRDCNLKSA-N 301.343 -0.805 50 20 DBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)C1CC1 849185683 LUGXSYYEPKSZCN-VIFPVBQESA-N 323.440 -0.395 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCn1ccnn1 854279851 LFVVTDFIPFFUOY-UHFFFAOYSA-N 300.388 -0.458 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2Cc3ccccc32)N1 858694226 JDYMYIVMWITIBH-ZYHUDNBSSA-N 302.334 -0.065 50 20 DBGD CN(C)Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862452609 FWRSPBIRENWPTD-GFCCVEGCSA-N 304.350 -0.212 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c2n[nH]cc2c1 862453051 IJPJJKNWLWIEAW-JTQLQIEISA-N 301.306 -0.089 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(F)c1 862460419 GGHOHNVNSUAQPQ-SNVBAGLBSA-N 323.280 -0.348 50 20 DBGD Cc1cc(CC(=O)NNC(=O)C(C)(C)N2CCOCC2)n[nH]1 869016259 JGGUXQLLCYZFKS-UHFFFAOYSA-N 309.370 -0.481 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCN1CC[C@H](C)C1 897439073 OAZKVKNSELDKTL-NWDGAFQWSA-N 316.402 -0.290 50 20 DBGD O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)[C@@H]1CCC(=O)N1 913416524 HZUGJKGVGDEWSC-LURJTMIESA-N 319.243 -0.672 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1=O 917391424 UMWPNLFTBMEPSV-UHFFFAOYSA-N 304.306 -0.102 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(F)cc1 1116720355 NTYKPAUPQIWOPH-UHFFFAOYSA-N 308.269 -0.810 50 20 DBGD CCOC(=O)[C@H](N)C(=O)NNc1ccccc1S(C)(=O)=O 1118569664 IYSPNXCROIZDNC-SNVBAGLBSA-N 315.351 -0.576 50 20 DBGD CSCCNC(=S)NNC(=O)c1cn(C)c(=O)n1C 1119532282 HKKKRAQHMICFQK-UHFFFAOYSA-N 303.413 -0.804 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](CCN(C)C)C(C)(C)C 1252438697 QATZMGOESAFJJT-VIFPVBQESA-N 302.375 -0.144 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-n2ccnc2)nn1 1318166225 FUMXRZOMEYJMCX-UHFFFAOYSA-N 317.309 -0.651 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc2cc[nH]c12 1320600523 XOFOWTRHXXBGME-UHFFFAOYSA-N 304.262 -0.573 50 20 DBGD N#Cc1cccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 1323944031 QXRDVEXORYMMAF-UHFFFAOYSA-N 312.289 -0.390 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)n1C 1323981918 URALVHIZSXTHQF-VIFPVBQESA-N 313.383 -0.629 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F 1324362411 OOTXHXZKUOWWDF-UHFFFAOYSA-N 319.195 -0.637 50 20 DBGD O=C(CCO)NNC(=O)C(=O)N1CCc2c(Cl)cccc21 1325520360 XGYKBQXXGHGKBO-UHFFFAOYSA-N 311.725 -0.241 50 20 DBGD O=C1NC2(CCN(C(=O)NNC(=O)c3cn[nH]c3)CC2)CO1 1328730906 BFIDJOALOOAFGM-UHFFFAOYSA-N 308.298 -0.662 50 20 DBGD COC(=O)c1ncoc1CCC(=O)NNC(=O)c1cnn(C)c1 1333682059 GDOFSZJYYSMBEO-UHFFFAOYSA-N 321.293 -0.412 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccn3ccnc3c2)N1 1348122687 KKKPMJIOPZASJM-JTQLQIEISA-N 316.321 -0.557 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNc1ccc(-c2nn[nH]n2)cn1 1592886443 PIAHECJBLFQJBM-SECBINFHSA-N 305.298 -0.490 50 20 DBGD COc1ccnc(NNC(=O)CN2CCC[C@@H](C(=O)O)C2=O)n1 1599722913 YOIPENXQTGEHEE-MRVPVSSYSA-N 323.309 -0.749 50 20 DBGD C[C@@H](CCNC(=O)NNC(=O)C(=O)O)NC(=O)OC(C)(C)C 1599835059 CZNMJBPYLHHBBY-ZETCQYMHSA-N 318.330 -0.295 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN(CC(=O)O)C2CC2)cc1 1601091940 HNFFUQFURJXDGR-UHFFFAOYSA-N 316.317 -0.132 50 20 DBGD N#Cc1cccc([C@@H](NNC(=O)[C@@H]2CCC(=O)N2)C(=O)O)c1 1601118425 LBDCXGGUHKTRRH-CMPLNLGQSA-N 302.290 -0.417 50 20 DBGD O=C(NCC1(N2CCCC2)CCOCC1)NNC(=O)C(=O)O 1601476194 MOSAGQOVMNRCQI-UHFFFAOYSA-N 314.342 -0.954 50 20 DBGD CC(C)C[C@H](CNC(=O)NNC(=O)c1cn(C)nn1)C(=O)O 1603010772 WOWOVANWCQAYRU-MRVPVSSYSA-N 312.330 -0.494 50 20 DBGD CN(C)[C@@H](CNC(=O)NNC(=O)C(=O)O)c1cccs1 1606012292 RXUPSJWTRKAPSG-ZETCQYMHSA-N 300.340 -0.234 50 20 DBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc2s1 1610560463 LIWDSBSUCTZMHC-UHFFFAOYSA-N 322.302 -0.225 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1cc(C#N)ccc1C(=O)O 1776097214 RXIWAGFSVGMFDZ-UHFFFAOYSA-N 309.303 -0.249 50 20 DBGD O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843083441 ARVXTSUGSXQDBL-SECBINFHSA-N 316.724 -0.589 50 20 DBGD COCCCNC(=O)NNC(=O)CNC(=O)c1cccs1 65624347 CPCJMZHKNVADJO-UHFFFAOYSA-N 314.367 -0.155 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 75653317 NJLHOMMBCFKRNW-SNVBAGLBSA-N 308.338 -0.663 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNc2cccnn2)C1=O 265555792 RKZBKXJNBGTFGE-CYBMUJFWSA-N 304.310 -0.360 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)OC(C)(C)C)C1 491476002 CSQAFOKBIKYQBF-SNVBAGLBSA-N 301.391 -0.029 50 20 DBGD COCCn1cc(C(=O)Nc2cccc(B(O)O)c2)c(C)n1 584914522 ZBNANBFZLMBDHU-UHFFFAOYSA-N 303.127 -0.230 50 20 DBGD CC(C)N1CCC(O)(CNC(=O)c2cccc(B(O)O)c2)CC1 584961981 DLKYJYXWXFBHAC-UHFFFAOYSA-N 320.198 -0.669 50 20 DBGD CC[C@](NC(=O)c1cc(B(O)O)ccc1F)(C(N)=O)C1CC1 584978776 XHYDULOJWSYSNV-CQSZACIVSA-N 308.118 -0.721 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@]2(CCCOC2)C1 584988088 CUFKWPDGRXBZKS-OAHLLOKOSA-N 323.129 -0.473 50 20 DBGD CCCN1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 585002664 CDJHWPVAFZXSNR-SNVBAGLBSA-N 308.118 -0.754 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](O)[C@@]12CCSC2 585008032 FGLZPZSSVKGMML-OCCSQVGLSA-N 307.180 -0.551 50 20 DBGD C=CCNS(=O)(=O)c1cc(C(=O)NCB(O)O)ccc1F 585060502 FEICANKQARVBNP-UHFFFAOYSA-N 316.119 -0.968 50 20 DBGD Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCB(O)O)C2)cc1 585060535 FYRMMKPZAYWDAL-ZDUSSCGKSA-N 304.155 -0.025 50 20 DBGD O=C1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CN1Cc1ccco1 585066469 OSQMOFOUEIXGSJ-WDEREUQCSA-N 306.127 -0.297 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cc(-c2ccccc2)[nH]n1 727065298 UBUPKVHUNUQNTH-UHFFFAOYSA-N 318.362 -0.329 50 20 DBGD Cn1cc(C(=O)NNC(=O)COc2ccc(C(N)=O)cc2)cn1 735444259 JGPOEAFLUXYQBQ-UHFFFAOYSA-N 317.305 -0.641 50 20 DBGD CC(C)(C)C(=O)Cn1cc(C(=O)NNC(=O)NC2CC2)nn1 746164215 DHAPDVZEYBWSAJ-UHFFFAOYSA-N 308.342 0.000 50 20 DBGD NS(=O)(=O)c1ccc(OCC(=O)NNc2ncccn2)cc1 749401421 JDNPIEZHWLFGHE-UHFFFAOYSA-N 323.334 -0.354 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1N1CCCC1 764421325 MGCMXOQVLPFDOC-UHFFFAOYSA-N 306.322 -0.635 50 20 DBGD O=C(NN=c1cc[nH]cc1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779836574 YGKALBJITSCXPM-OLZOCXBDSA-N 313.317 -0.083 50 20 DBGD CC(=O)NC1CCC(N(C)CC(=O)NNC(=O)C2CC2)CC1 784550480 DABIGQMDRDAGCA-UHFFFAOYSA-N 310.398 -0.077 50 20 DBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)N2CCN(C)CC2)C1 807383775 MAQBHIBIMYIWEF-NSHDSACASA-N 311.386 -0.767 50 20 DBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)CNC(=O)c1cccnc1 811644804 LKBCWXCAYGCVFN-GFCCVEGCSA-N 317.349 -0.028 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2nc(N)nc(N(C)C)n2)n1 816837238 OICDYAGOVFUZOR-UHFFFAOYSA-N 303.330 -0.316 50 20 DBGD O=C(O)CCCCCNC(=O)NNC(=O)[C@@H]1COCCO1 819401299 ZRMLVAOCHLMGDZ-VIFPVBQESA-N 303.315 -0.623 50 20 DBGD COC(=O)N(C)CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 822796896 ACDLALJXYMTMTN-NSHDSACASA-N 322.387 -0.934 50 20 DBGD O=C(CNC(=O)C1CC1)NNc1cccc(-c2nn[nH]n2)c1 826411826 PBGBSCVPXPFHHW-UHFFFAOYSA-N 301.310 -0.164 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CC1)OCCO2 827266185 AVEDPVBXWNPNPX-GHMZBOCLSA-N 313.354 -0.009 50 20 DBGD O=C(NNc1ncnc2ccsc12)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830430224 ATJYSCAVLFTWJU-OPRDCNLKSA-N 322.346 -0.453 50 20 DBGD CCOC(=O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 834852867 MQXVJTJQUGQFNM-SECBINFHSA-N 309.102 -0.469 50 20 DBGD N[C@@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 843344644 OOHCMCCZDUPDMP-SNVBAGLBSA-N 307.310 -0.611 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2n(c1=O)CCS2 843975691 OEJSRSVXUADWRT-HTQZYQBOSA-N 324.362 -0.465 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 845417434 DNNXXTHLPGMFOU-QMMMGPOBSA-N 306.388 -0.603 50 20 DBGD CNC(=S)N(C)NC(=O)c1c(C)oc2ncn(C)c(=O)c12 854928441 ZFMKBEFOJQDYEK-UHFFFAOYSA-N 309.351 -0.084 50 20 DBGD CSC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858404054 FNLAOPSLAXBUHQ-QMMMGPOBSA-N 300.384 -0.119 50 20 DBGD C[C@@H](NNC(=O)CN(C)S(=O)(=O)N(C)C)C(F)(F)F 862320160 PMKLKUFNRQWPHX-ZCFIWIBFSA-N 306.310 -0.704 50 20 DBGD O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 862455187 ZRLLKAPBDBQVGY-KOLCDFICSA-N 316.317 -0.462 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(F)cc2[N+](=O)[O-])N1 862455596 HLTOTSMOEZNWHG-MRVPVSSYSA-N 310.241 -0.227 50 20 DBGD CCCc1[nH]nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1[N+](=O)[O-] 862455778 QTMAEZINNMJPPX-ZETCQYMHSA-N 324.297 -0.690 50 20 DBGD COC(=O)C[C@@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 863874008 NEJCRMPEPSXYJU-GFCCVEGCSA-N 323.179 -0.513 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNCC(F)(F)C(F)(F)F 1118889315 HATAINGJCLSJHY-BYPYZUCNSA-N 318.202 -0.207 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)CCO)cc1-n1cnnn1 1254882830 RLHKDHNSEFXYGG-UHFFFAOYSA-N 305.298 -0.494 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(C)C)ccc1C(N)=O 1254896674 HMJMMTSJNTUMDA-UHFFFAOYSA-N 306.322 -0.164 50 20 DBGD Cn1ccnc(NNC(=O)Cn2c(=O)oc3ccccc32)c1=O 1318911108 UURPRJWDMLCFJB-UHFFFAOYSA-N 315.289 -0.169 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2nc[nH]n2)cc1 1322688040 AKXVGIQRPUKXGJ-UHFFFAOYSA-N 316.321 -0.168 50 20 DBGD O=C(Cn1c(=O)oc2ccccc21)NNC(=O)N1CCOCC1 1324684697 UCMSWTYQAHIKCP-UHFFFAOYSA-N 320.305 -0.333 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NC[C@@H]1CCOC1 1325022211 AMLZCYAZOIYBLM-VIFPVBQESA-N 316.358 -0.122 50 20 DBGD Cc1nc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1C 1326485146 AEBUOQQKTRITOG-IONNQARKSA-N 302.356 -0.537 50 20 DBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)c3ccc[nH]3)C2)cn1 1339229796 CIXVOKXECQGNKN-JTQLQIEISA-N 317.353 -0.029 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)N1 1351354466 XXVVMJYZXYRZGP-GARJFASQSA-N 310.354 -0.636 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)N[C@H]2CNOC2)c1 1579351893 XREQBMXMDVIYKH-VIFPVBQESA-N 300.340 -0.380 50 20 DBGD O=C(NNC(=O)c1cnnn1C1CNC1)OCC(F)(F)F 1580737033 HPHVQDYOPYZURR-UHFFFAOYSA-N 308.220 -0.644 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCNCC2)C1 1580819035 SVKDXDVYUNCLIF-UHFFFAOYSA-N 302.183 -0.028 50 20 DBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccnc1 1588807903 LCIDDBBKQJPDLJ-LLVKDONJSA-N 322.321 -0.684 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)n1 1595151743 OEINCFDTICJNLF-HRDYMLBCSA-N 323.309 -0.312 50 20 DBGD C[C@H](C(=O)NNC(=O)CC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 1603019468 HAWCMWXSSLNEKE-SSDOTTSWSA-N 321.345 -0.397 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(C(=O)O)c(O)c1 1776097280 WJYDAJZLGGEDOR-UHFFFAOYSA-N 300.292 -0.415 50 20 DBGD Cc1nnc(NNC(=O)c2cnn(-c3ccccc3)n2)[nH]c1=O 11548188 SEYQIWGOOCGWOD-UHFFFAOYSA-N 312.293 -0.189 50 20 DBGD CCc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)[nH]n1 101526709 HZZHCGZOBZNSJI-UHFFFAOYSA-N 305.294 -0.244 50 20 DBGD O=C(CN1CCN(c2cnccn2)CC1)NNC(=O)C1CC1 112976685 RMOOOINODSBAMR-UHFFFAOYSA-N 304.354 -0.844 50 20 DBGD CN1N=C(C(=O)NNC(=O)COCc2ccccc2)CCC1=O 265639780 SVUPEASUIPSMSS-UHFFFAOYSA-N 318.333 -0.041 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H](C)N2CCN(C)CC2)n1 266874016 ARFBHBFOCPKBFJ-NSHDSACASA-N 308.386 -0.127 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1COCCN1CC(F)F 279104813 BBMOMAGVLJSUMQ-MRVPVSSYSA-N 317.296 -0.106 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 280606740 VDAPLMOWINPBIC-WDEREUQCSA-N 307.306 -0.511 50 20 DBGD O=C(CN1C[C@@H](O)C[C@@H](C(=O)O)C1)NNC(=O)c1ccccc1 401839377 SEVYHRVVNSFYOH-NEPJUHHUSA-N 321.333 -0.785 50 20 DBGD CCO[C@H](C)c1noc(CNC(=O)c2cccc(B(O)O)c2)n1 584952111 MMWVZLVPUQUCLX-SECBINFHSA-N 319.126 -0.223 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584955095 NZXNGEUHHUERSB-RDBQEKCUSA-N 305.114 -0.245 50 20 DBGD C[C@H](CCn1cncn1)NC(=O)c1cc(B(O)O)ccc1F 584959657 FBIATIXNWABZAH-SECBINFHSA-N 306.106 -0.694 50 20 DBGD CC(=O)NCCN(C(=O)c1cc(B(O)O)ccc1F)C(C)C 584975180 LDWKLYFHOJTDER-UHFFFAOYSA-N 310.134 -0.508 50 20 DBGD COc1ccc(OC)c([C@@H](O)CNCc2ccc(B(O)O)o2)c1 585013968 DUTJSXJGQKIJKK-ZDUSSCGKSA-N 321.138 -0.200 50 20 DBGD O=C(NCB(O)O)c1cccc(S(=O)(=O)C(F)(F)F)c1 585062395 IAQYOKJHCWCPQK-UHFFFAOYSA-N 311.046 -0.278 50 20 DBGD CN(C)C(=O)NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 746008757 UJDCKOGBVLIXTO-NXEZZACHSA-N 310.354 -0.146 50 20 DBGD CCCCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748718672 PGDVTGCPSQWSAQ-UHFFFAOYSA-N 311.298 -0.113 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNc1ncccc1[N+](=O)[O-] 759290188 JHQDFHFJGGBNCU-UHFFFAOYSA-N 307.266 -0.028 50 20 DBGD COC[C@@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 769708478 HFCFWYOKDLIKNK-SECBINFHSA-N 319.325 -0.359 50 20 DBGD CCNC(=O)N(C)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 770548164 AOXROLRSJSIZIV-UHFFFAOYSA-N 306.326 -0.434 50 20 DBGD O=C(CN1CCOC[C@H]1[C@@H]1CCCC1=O)NNC(=O)C1CC1 784356659 RIXVDFZYPOQRGM-RYUDHWBXSA-N 309.366 -0.386 50 20 DBGD O=C1NCC[C@@H]1C(=O)NNC(=S)NCCc1cccs1 820165505 UAYFSRLKJFKDDI-VIFPVBQESA-N 312.420 -0.078 50 20 DBGD CCN(CCO)NC(=O)c1cc(S(=O)(=O)NC)cs1 823864920 DYXSFUHLONVTSV-UHFFFAOYSA-N 307.397 -0.385 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCOC1 826444950 AFDYSSGVAFVCGZ-SNVBAGLBSA-N 317.309 -0.400 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C[C@H](C)O1 827273191 FQPSHHZANWVRLU-WHOHXGKFSA-N 315.370 -0.112 50 20 DBGD C[C@H](CC(=O)NNC(=O)COc1ccc(C#N)cc1)NC(N)=O 847287652 YNTJBFOUUQZQQZ-SECBINFHSA-N 319.321 -0.469 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(C)C1 854280463 VTKGZABNFWGPCN-VIFPVBQESA-N 302.400 -0.661 50 20 DBGD CN(CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 858694312 LSBASKUUAOQOMJ-GFCCVEGCSA-N 319.365 -0.268 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCOC(=O)N2)c(OC)c1 859245528 ARHHQKHMDHCGAF-SNVBAGLBSA-N 323.305 -0.037 50 20 DBGD O=Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456461 YLHQPDLBKGIYNY-JTQLQIEISA-N 305.290 -0.696 50 20 DBGD Cc1ccccc1COCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862464223 VDQPWQYHGMIFAP-LBPRGKRZSA-N 305.334 -0.062 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)[C@H]2CCCC[C@H]2N1 862466015 BGTYSNSHXKCECM-OUAUKWLOSA-N 305.338 -0.134 50 20 DBGD CCO[C@H](CS(=O)(=O)NNC(=O)NCCCOC)C1CC1 863402432 LCNKEYFAJJMUHN-LLVKDONJSA-N 323.415 -0.028 50 20 DBGD CCn1nc(C)c(CC(=O)NNC(=O)COCCOC)c1C 869904339 WBWWMINMUVIPQV-UHFFFAOYSA-N 312.370 -0.127 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C2CCOCC2)[C@H]1OC 883584841 ZCUNNZGMRQABIX-IJLUTSLNSA-N 315.370 -0.064 50 20 DBGD C[C@]1(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)C[C@@H]1Br 907606225 HOKUCNDKAFMCMO-AYKAFODUSA-N 304.144 -0.094 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NN(C)C[C@H](C)O)ccc1F 910165755 MIFIVCZJYOJFFF-QMMMGPOBSA-N 319.358 -0.309 50 20 DBGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cnn[nH]1 918300929 XRCQYLJGQAIRLJ-UHFFFAOYSA-N 313.277 -0.229 50 20 DBGD O=C(COc1cccnc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116025902 VLXHJXMDPFILEY-SECBINFHSA-N 313.335 -0.958 50 20 DBGD C[C@H]1C[C@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1116453790 WNVCRVZAOQSYNP-WDEREUQCSA-N 312.370 -0.246 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccn(C)n2)n1 1116618922 KTMPRYLWJSATLN-UHFFFAOYSA-N 319.325 -0.980 50 20 DBGD O=C(NNC(=O)[C@H](F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1117668328 BEGFADXQFYSMEG-UHNVWZDZSA-N 306.237 -0.531 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(C(C)(C)C)nn1 1318693416 GWZAHTTXNNHLSP-UHFFFAOYSA-N 322.369 -0.531 50 20 DBGD COC(C)(C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1326641383 AMTOJDMUJVYZEK-QMMMGPOBSA-N 307.372 -0.681 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 1328699124 CKSZZXZPUIUWLZ-NSHDSACASA-N 322.369 -0.371 50 20 DBGD CN(C)N(C(=O)[C@H]1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1329017766 MSWXAZAETMHNMZ-NXEZZACHSA-N 324.424 -0.944 50 20 DBGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1332155451 CNYIBVGRJYOQQN-UWVGGRQHSA-N 323.353 -0.025 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CN3CCN2C[C@H]3C)n1 1347532133 OKRDNVFRJAHPEY-DGCLKSJQSA-N 303.366 -0.461 50 20 DBGD CN(C)N(C(=O)[C@@H]1[C@H]2CCCO[C@H]21)[C@@H]1CCS(=O)(=O)C1 1355818447 JTHTYIXABJQLCB-DDHJBXDOSA-N 302.396 -0.096 50 20 DBGD C[C@@H](C(=O)NNC(=O)CN)N(C(=O)OC(C)(C)C)C1CC1 1575069996 SWVMAMQUVIORGT-QMMMGPOBSA-N 300.359 -0.120 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccc(F)cn1 1582199519 NAGUALGFHOZLPC-UHFFFAOYSA-N 304.249 -0.864 50 20 DBGD Cn1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1=O 1592582031 YEJKAUKPAAZHSS-UHFFFAOYSA-N 312.293 -0.283 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@H](OC)C(=O)O)cn1 1594104482 YGJOZXQORNFAPT-QMMMGPOBSA-N 314.323 -0.493 50 20 DBGD CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792976044 KPXPOTMYZLVNTG-LSCVPOLPSA-N 318.801 -0.024 50 20 DBGD CN(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110069 LKWGXEREWCZLCO-WRWGMCAJSA-N 317.817 -0.214 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CN2CCCCC2=O)n1 97288235 QDGOVNLMVCXJSE-UHFFFAOYSA-N 307.354 -0.340 50 20 DBGD COc1ccnc(NNC(=O)NCCS(=O)(=O)C(C)C)n1 291708857 CVIZFSIXQWTCDZ-UHFFFAOYSA-N 317.371 -0.066 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1COCCO1 298447432 WQLKPPYINGQSFB-LBPRGKRZSA-N 304.306 -0.401 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@]2(CCOC2)O1 584982742 IBEMBLMLOLIJJZ-ABAIWWIYSA-N 305.139 -0.614 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(N2CCOCC2)CC1 585006688 YQIOXTVBBMGKCV-UHFFFAOYSA-N 318.182 -0.697 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)c3cc(B(O)O)ccc3F)CC[C@H]2N1 585007987 RIIYUQZAVXUPBU-NOZJJQNGSA-N 320.129 -0.754 50 20 DBGD CS(=O)(=O)C1CCC(NCc2ccc(B(O)O)cc2)CC1 585025283 QBAKNNDRPNLQPA-UHFFFAOYSA-N 311.212 -0.188 50 20 DBGD CN(CC(F)(F)F)C(=O)CNCc1ccc(B(O)O)cc1 585025517 WENOMGIOORFCPK-UHFFFAOYSA-N 304.077 -0.523 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 726613504 GXSAHNUJRJPNRB-UHFFFAOYSA-N 312.351 -0.850 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)N2CCOCC2)cc1 735038529 XULULHRXCSAJOA-UHFFFAOYSA-N 322.321 -0.293 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCN(C)C(=O)O 736900858 SCYULBDMTIZCRR-UHFFFAOYSA-N 316.358 -0.171 50 20 DBGD O=C(O)COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1 739823489 ASUCQAPOZWZECB-UHFFFAOYSA-N 305.250 -0.657 50 20 DBGD CCOCC(=O)NNC(=O)NCCS(=O)(=O)C(C)(C)C 745898066 MFBANQDBFWZJNA-UHFFFAOYSA-N 309.388 -0.433 50 20 DBGD Cc1oc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 758040192 OLQCCQUMAYQHFI-SSDOTTSWSA-N 317.367 -0.096 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(-c2ccccc2)ns1 764428598 JTUAASDQBAEQRH-UHFFFAOYSA-N 320.330 -0.112 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNc1nccnc1OC 764470685 ZFEFFAUETOVJML-UHFFFAOYSA-N 317.371 -0.400 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@@H]1C(N)=O 767119142 HVZJRCAURZWHAI-MRVPVSSYSA-N 302.400 -0.917 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1C(C)=O 772211133 FHHPXTMWOXQROR-ONGXEEELSA-N 313.354 -0.124 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 784058065 ZAAQERHEAGJQIW-NSHDSACASA-N 315.333 -0.355 50 20 DBGD O=C(Cc1ccc2n[nH]cc2c1)NNC(=O)C(=O)NC1CC1 792852682 COESPODJCHYJNP-UHFFFAOYSA-N 301.306 -0.469 50 20 DBGD Cn1nc(SCC(=O)NN=C2CC3(CC3)C2)c(=O)n(C)c1=O 814784828 JQIZWSXCBDKVIN-UHFFFAOYSA-N 323.378 -0.383 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNc2ncncc2F)n1 824449829 ZEKREJZFLVOOTF-UHFFFAOYSA-N 324.276 -0.081 50 20 DBGD C[C@H]1CN(C(=O)C(=O)NNC(=O)CCCN)c2ccccc2O1 841294666 RNYKAEUBINLWCU-JTQLQIEISA-N 320.349 -0.313 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843974107 MZOMOBHIASFNBQ-QWRGUYRKSA-N 314.386 -0.985 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)S(=O)(=O)CCO1 843980159 RLTANPXMCNNFDB-VXNVDRBHSA-N 318.351 -0.765 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCS(=O)(=O)N1 845467811 ISIJKLIOUXKQJK-JTQLQIEISA-N 315.326 -0.793 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1=O 857144396 KBODELPTJZBVDN-GMTAPVOTSA-N 319.365 -0.082 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cccnc1 858543163 FNAZGDQUNZEOIT-LLVKDONJSA-N 319.365 -0.032 50 20 DBGD COc1ccc(OCCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862449793 TWSVYCMKKVYBAR-GFCCVEGCSA-N 321.333 -0.110 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)N1 862452500 XJNJUJKWWIGTGE-SSDOTTSWSA-N 308.250 -0.660 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(OC(F)F)cn2)N1 862460158 DARJZPCVCGYBCC-QMMMGPOBSA-N 314.248 -0.277 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)c1cn[nH]c1)n1cccn1 862474500 MOMBBYWIYBKTFY-SECBINFHSA-N 319.325 -0.913 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)C1CN(S(C)(=O)=O)C1 899964490 LMUWBZFABYNUOT-UHFFFAOYSA-N 311.363 -0.353 50 20 DBGD Cn1cnc2cccc(C(=O)NNC(=O)CN3CCCC3=O)c21 913732862 LNTWBNWNIMCVSB-UHFFFAOYSA-N 315.333 -0.043 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 1116626852 GBKXOUHMWLXMIN-UHFFFAOYSA-N 306.278 -0.103 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1119592575 FVVQZLOLZAPQOQ-GFCCVEGCSA-N 306.343 -0.136 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1nncc(N)c1Cl 1346438025 WXZHUIWBTYJFLR-APPZFPTMSA-N 311.777 -0.456 50 20 DBGD CN(NC(=O)[C@H]1Cc2cccnc2C1)C(=O)N1CCNCC1 1578506705 URPIJWGRYZCXLT-LBPRGKRZSA-N 303.366 -0.215 50 20 DBGD Cc1cnc2c(C(=O)NNC(=O)C3CCNCC3)cnn2c1 1579823059 WYNNXEGUIOUAEN-UHFFFAOYSA-N 302.338 -0.202 50 20 DBGD O=C(NNC(=O)c1sccc1-c1nn[nH]n1)c1cn[nH]c1 1582561878 YTLFLARPWDEHRK-UHFFFAOYSA-N 304.295 -0.274 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl 1588869787 DSUKWNHTUUXBGD-UHFFFAOYSA-N 323.700 -0.374 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ncccc1C(=O)O 1589148002 YACCXOGUBWBEIB-OIBJUYFYSA-N 322.321 -0.502 50 20 DBGD CSc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1 1607410138 RIUJWNIOMOFNLG-UHFFFAOYSA-N 319.364 -0.014 50 20 DBGD CCOC(=O)NNC(=O)CCn1nnc2ccccc2c1=O 21772544 NHZPKJXDLMJFOO-UHFFFAOYSA-N 305.294 -0.041 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)n1 46774712 DBAFPECHJXRYTK-SNVBAGLBSA-N 311.363 -0.024 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 48961926 XIZKCIWUXZRWBK-UHFFFAOYSA-N 321.380 -0.479 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN(C)Cc1ccccc1 58783750 CCYIYYDJVWXHGM-UHFFFAOYSA-N 306.366 -0.210 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccc(F)cc1 67839327 RAMBIZIAEIQHDK-MRVPVSSYSA-N 317.342 -0.547 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 106417915 DIUZAUIMBHCUIO-SNVBAGLBSA-N 319.365 -0.109 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1C(N)=O 264047334 BEYSJHVYAAVXHK-UHFFFAOYSA-N 316.383 -0.130 50 20 DBGD CN(CC(=O)NNc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 269058356 PIJBXIQOKWGBNN-UHFFFAOYSA-N 302.312 -0.071 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)(C)C)cn1 274483199 OLVVGQCCUBDUBC-UHFFFAOYSA-N 314.367 -0.203 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@@H]1COC[C@H]1O 285757316 ZDQCVAKSOLNXSW-VXGBXAGGSA-N 311.313 -0.722 50 20 DBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)OC)cc1 490544477 ZOLZRDXSJWLLQS-UHFFFAOYSA-N 311.319 -0.401 50 20 DBGD O=C(NCc1nnc2n1CCCC2)c1ccc(B(O)O)cc1 584930092 GRZFNKIDMPUESK-UHFFFAOYSA-N 300.127 -0.776 50 20 DBGD CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584949013 KECLDIYZCMHRSK-AWEZNQCLSA-N 308.162 -0.082 50 20 DBGD CCN(CCCNCc1ccc(B(O)O)cc1)S(C)(=O)=O 585017551 ZMLKQOXQTFKFPI-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD COc1cccc(C(=O)NCCNCc2ccc(B(O)O)o2)c1 585019114 BXPCMPDACYJOHU-UHFFFAOYSA-N 318.138 -0.512 50 20 DBGD Cn1nccc1N1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585039171 PGCUKQBNNTTZHR-NSHDSACASA-N 304.159 -0.549 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)[C@@H](C)CN1CCOCC1 732528501 MJCXHGMVAGLJIM-JTQLQIEISA-N 305.400 -0.509 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)N(C)C)c1 746004065 ZAKSITMNIZTCFD-UHFFFAOYSA-N 314.367 -0.181 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H](C)CS(C)(=O)=O)C1CC1 751621036 ONMCABQHPBALIP-YUMQZZPRSA-N 307.441 -0.039 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 753295190 PPDYXMNVZSRTJN-UHFFFAOYSA-N 318.355 -0.198 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 757759944 BRFAKWBEGILNKO-JTQLQIEISA-N 318.293 -0.770 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)c1nc(O)nc(O)c1N 763678518 MTIRYGPDNHPXSY-UHFFFAOYSA-N 317.305 -0.218 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1nc(-c2ccccc2)oc1=O 768254720 CEVKVXQHBNRRJZ-UHFFFAOYSA-N 320.305 -0.578 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 775248291 VMPCVQZSSTZEFI-UHFFFAOYSA-N 303.252 -0.378 50 20 DBGD CN(C)N(C(=O)c1cnn2ncccc12)[C@H]1CCS(=O)(=O)C1 792847723 ARZJLRBFQNQTOM-JTQLQIEISA-N 323.378 -0.165 50 20 DBGD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NNC(=O)Cc1ccncc1 799398878 VPCJZQVNIQYCTL-SKDRFNHKSA-N 305.338 -0.521 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccn(C(F)F)n2)CC1 807379940 JQPQPKXQYADRTN-UHFFFAOYSA-N 302.285 -0.120 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 827273239 FXLWBKLTDYHEJT-RBXAFTMZSA-N 317.411 -0.007 50 20 DBGD O=C(NNc1ccc(-n2cccn2)nn1)NC1CN(C(=O)O)C1 831742823 RZGONMIHHIMSPD-UHFFFAOYSA-N 318.297 -0.349 50 20 DBGD CCC(N)(CC)CNC(=O)NNC(=O)[C@@H](C)OCCOC 841952173 PEIOIQLFBMHESE-SNVBAGLBSA-N 304.391 -0.114 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cncc(-n2ccnn2)c1 843655522 MQXPGAUEASFZKL-BXKDBHETSA-N 316.321 -0.152 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)NC1CCCC1 845322542 XEWJMROSOBDDKC-SECBINFHSA-N 307.358 -0.101 50 20 DBGD C=CCNC(=S)NNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 847285936 ZOIOQEJYOSEEEE-MRVPVSSYSA-N 322.398 -0.361 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)c2ccnnc2)CC1 854969017 UBFPPLYNWYLMBR-UHFFFAOYSA-N 307.310 -0.284 50 20 DBGD CC1(C)C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C(C)(C)O1 858349849 APSLUYWFKQFGSR-RKDXNWHRSA-N 312.370 -0.059 50 20 DBGD Cn1cc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)o2)cn1 862462091 ULGAHNIBBUZVHG-VIFPVBQESA-N 317.305 -0.280 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)cc(Cl)n1 863464286 BOOCHJWRTWGUGJ-UHFFFAOYSA-N 305.743 -0.151 50 20 DBGD CC1CCC(OCC(=O)NNC(=O)CS(C)(=O)=O)CC1 863465978 KHNWXNWMJDWHOC-UHFFFAOYSA-N 306.384 -0.226 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN(C)C[C@@H](C)O 910171406 VWDHLXXSAPIQFF-VXGBXAGGSA-N 321.443 -0.076 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2nc(O)[nH]c2c1 920435144 CZNIWOCYVMULFH-UHFFFAOYSA-N 317.305 -0.348 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2CCNC(=O)C2)C[C@@H]1Br 1118819139 COGJUOHEOOROAL-CPCISQLKSA-N 318.171 -0.766 50 20 DBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNC(=O)c1cn[nH]c1 1119083173 ASEKMDGPDJCAOW-MNOVXSKESA-N 308.342 -0.783 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)n1cccc1 1320264237 URUAOTVZCGIRON-IUCAKERBSA-N 302.356 -0.866 50 20 DBGD Cn1nncc1CNC(=O)NNC(=O)COc1ccccc1O 1323215886 ALURHXCMJMYCGV-UHFFFAOYSA-N 320.309 -0.570 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)nn1 1324070512 KOFKDZSAFJNPOJ-UHFFFAOYSA-N 323.334 -0.707 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NC[C@H]1CCOC1 1325022210 AMLZCYAZOIYBLM-SECBINFHSA-N 316.358 -0.122 50 20 DBGD Cc1c(C#N)cccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 1325234510 TUUWMNFNYVIIMD-SECBINFHSA-N 324.362 -0.435 50 20 DBGD CC(C)CN1CCN(C(=O)NNC(=O)c2cn[nH]c2)[C@H](C)C1=O 1328731790 RZSWLQWKHVJNMK-SNVBAGLBSA-N 322.369 -0.047 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@]2(CCOC2=O)C1 1341021139 RWVBFYGAAKTUBR-PKFCDNJMSA-N 311.338 -0.209 50 20 DBGD CO[C@@H]1CN[C@](C)(C(=O)NNC(=S)NCCSC)C1 1573959979 BHPDPWWZYFCSLG-KWQFWETISA-N 306.457 -0.388 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl 1588869813 GCJQZTZBFRJHFQ-UHFFFAOYSA-N 316.730 -0.151 50 20 DBGD CC(C)(CO)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1589292236 KBRGDZNMIVIICY-UHFFFAOYSA-N 304.310 -0.354 50 20 DBGD O=C(/C=C\c1cc(C(=O)O)co1)NNC(=O)[C@H]1CCC(=O)N1 1601234282 UEMHQQQSUPRYSA-MAYCQVCUSA-N 307.262 -0.583 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1ccc(C(=O)O)cc1F 1601302271 GGNJNICAWRKNLO-UHFFFAOYSA-N 310.241 -0.481 50 20 DBGD COC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 48652858 CIEXWCCWWZIEKO-UHFFFAOYSA-N 322.364 -0.052 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1=O 119285078 LIEAWMBFWBBHQF-UHFFFAOYSA-N 308.313 -0.639 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)s1 265047892 RHOUTYBHYPYEKV-UHFFFAOYSA-N 324.318 -0.762 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CN(C)CCO2)cc1 268045663 ZUKCNZPKFJZSOX-ZDUSSCGKSA-N 322.365 -0.415 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 272684866 OVIVMIHWTHJGNT-UHFFFAOYSA-N 311.342 -0.457 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2CCCCS2(=O)=O)n1 273259973 SYOQWIWRUNTPSE-MRVPVSSYSA-N 300.340 -0.104 50 20 DBGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)C(C)(C)O 365596087 FHQVHNAVVPKSBF-LBPRGKRZSA-N 305.334 -0.118 50 20 DBGD CC1(C)COCCN1CCNC(=O)c1ccc(B(O)O)c(F)c1 584942434 HABITQLGISWDPE-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD NC(=O)C1CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584943280 PXVACUYHZIZBJT-UHFFFAOYSA-N 308.118 -0.721 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@@H]1c1nc[nH]n1 584968374 AOSVGBSDAGXQCA-GFCCVEGCSA-N 300.127 -0.148 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1=CCN(C)CC1 584971969 JDYKTGQHPNSBBG-SNVBAGLBSA-N 306.146 -0.114 50 20 DBGD O=C(NCCCc1nc(-c2cccc(B(O)O)c2)no1)C1CC1 585051644 LBAJHJRZNSYPQR-UHFFFAOYSA-N 315.138 -0.125 50 20 DBGD CN(C)CC(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 727761648 WWPUZOCSWCHOEU-PHIMTYICSA-N 324.381 -0.739 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)C1CCC1)n1cccn1 732142120 SRYPDTYZYIKLAV-SNVBAGLBSA-N 307.354 -0.150 50 20 DBGD Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)C(=O)N1CCCC1 739034142 KLBMOUFTYCQJJL-SECBINFHSA-N 322.369 -0.258 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1ccsc1 758038438 FJOCSQRAZLAEOP-SFYZADRCSA-N 319.408 -0.063 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(CN(C)C)c1 764204716 YDMQGPWBFCLSAF-UHFFFAOYSA-N 321.381 -0.604 50 20 DBGD C#CCN1CCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 770981080 WHVIKFMVEMSACN-JTQLQIEISA-N 315.337 -0.390 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)Cc1cc[nH]n1 798957461 XTTOTCNYCLQWSS-JTQLQIEISA-N 302.338 -0.047 50 20 DBGD COCC(=O)NN[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 821680398 ICNHZTQOYCIGEO-LLVKDONJSA-N 320.309 -0.652 50 20 DBGD O=C(NNS(=O)(=O)N1CCCOCC1)c1ccccn1 844644618 OVRUPANRYSAROU-UHFFFAOYSA-N 300.340 -0.717 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CC[C@@H]1C(N)=O 854285216 JGODHYPVFGEZNH-IUCAKERBSA-N 302.400 -0.628 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)[C@H]2CCCC[C@@H]2N1 855356783 YGJVDSOOZDYRJX-UTLUCORTSA-N 305.338 -0.134 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCC1 858621303 WMPIAGDUBRYLAO-QWRGUYRKSA-N 312.370 -0.199 50 20 DBGD CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696337 KDEDIATYHNEFOB-IUCAKERBSA-N 314.342 -0.817 50 20 DBGD COc1ccc(CN(C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 858696883 OYSUNVMOOKCXAI-JTQLQIEISA-N 321.337 -0.459 50 20 DBGD O=C(CCNC(=O)c1ccsc1)NNC(=O)[C@H]1CCC(=O)N1 862449158 MANDIWFLFRWJTG-SECBINFHSA-N 324.362 -0.706 50 20 DBGD O=C(CCn1cnc2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 862450545 WHPTWQDUUWQAEX-LLVKDONJSA-N 315.333 -0.148 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)cc1O 863464030 DMRVMFOTQAMJCI-UHFFFAOYSA-N 300.336 -0.565 50 20 DBGD CN1CC[C@@H]2CN(C(=O)c3cc(B(O)O)ccc3F)C[C@@H]2C1 868450918 HMGHJSLPBUEALI-MNOVXSKESA-N 306.146 -0.471 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1c(F)cccc1F 872383441 SOVHVBKIZBLJDJ-UHFFFAOYSA-N 324.305 -0.063 50 20 DBGD COC[C@](C)(CO)NCC(=O)NNC(=O)c1ccc(F)cc1 879164150 WMWZGNZUNCRVOK-AWEZNQCLSA-N 313.329 -0.426 50 20 DBGD CC(C)N1CCN(CCC(=O)NNC(=O)C(C)(C)O)CC1 907628178 WFARFNUQBSRFBG-UHFFFAOYSA-N 300.403 -0.679 50 20 DBGD CC(C)N1CCN(CCCC(=O)NNC(=O)c2cc[nH]n2)CC1 912306145 HZXDQTKVIYNXMJ-UHFFFAOYSA-N 322.413 -0.023 50 20 DBGD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)OC)C1 1116210310 DQTWHTPYVPXFOM-JYFUKTADSA-N 319.383 -0.430 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnccc1C 1116623808 XQSVYDYXWZYOJS-SNVBAGLBSA-N 324.337 -0.473 50 20 DBGD COCCOC[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1261453127 VVPWXVOAWVXGFL-AXFHLTTASA-N 303.359 -0.207 50 20 DBGD CCOC1CC(CCNC(=O)NNC(=O)C(=O)NC2CC2)C1 1320681407 UMTPNEGQIWEQGM-UHFFFAOYSA-N 312.370 -0.199 50 20 DBGD Cc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ns1 1320811921 DGBVWPRZWQVILJ-SSDOTTSWSA-N 318.380 -0.417 50 20 DBGD NC(=O)c1cccc(C(=O)NNC(=O)NCc2ccco2)n1 1320839730 OFIVZSRFRAEDLM-UHFFFAOYSA-N 303.278 -0.082 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)ccn1 1323243777 OQJUOXAPTWBVSW-UHFFFAOYSA-N 318.293 -0.858 50 20 DBGD CCc1ncc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 1326046913 JLTUNVVUHLUWMB-SCZZXKLOSA-N 321.337 -0.450 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CC(F)(F)F)co1 1328688608 UBQPAANTPWDBFX-UHFFFAOYSA-N 315.229 -0.360 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCC(=O)O 1573391176 UBNUCXBEGHKQDS-UHFFFAOYSA-N 301.343 -0.059 50 20 DBGD CCOCC(=O)NNC(=O)N1CCc2sc(CN)nc2C1 1578100560 XPKSFSPHWHCDPQ-UHFFFAOYSA-N 313.383 -0.263 50 20 DBGD CNC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCC1 1578593036 PWIGOWMSZKVGFW-UHFFFAOYSA-N 315.337 -0.435 50 20 DBGD O=C(NNC(=O)c1ncon1)Nc1ccc(-c2nn[nH]n2)cc1 1582561676 PTIDIIGVYOIELF-UHFFFAOYSA-N 315.253 -0.284 50 20 DBGD O=C(O)C1CC2(CC[C@H](CNCc3ccc(B(O)O)cc3)O2)C1 1594904880 HYYUOXWINKNXNA-CXOJTPOUSA-N 319.166 -0.132 50 20 DBGD CC(C)(C)OC(=O)NNS(=O)(=O)c1cnn(CC(=O)O)c1 1603470106 HJEWJDAMUAPXFK-UHFFFAOYSA-N 320.327 -0.314 50 20 DBGD O=S(=O)(CCCCl)NCCn1cnc(-c2nn[nH]n2)n1 1607058039 NHSQROVUNKUHLL-UHFFFAOYSA-N 320.766 -0.994 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1n[nH]cc1C(=O)O 1608129330 KRNWZIZGVKUOOP-UHFFFAOYSA-N 313.295 -0.930 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)Nc1cccc(C(=O)O)c1 1608478917 ADRJDHCFKIQVBS-SNVBAGLBSA-N 309.278 -0.047 50 20 DBGD CC(=O)c1cccc(OCC(=O)NNC(=O)C(=O)NC(C)C)c1 263765834 BRIOABSCZDUDOV-UHFFFAOYSA-N 321.333 -0.060 50 20 DBGD COC(=O)NNC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 494572944 PFIKGFBAKXGAOH-UHFFFAOYSA-N 306.282 -0.037 50 20 DBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCN(C2CC2)C1 584945933 NMPWUEAWSBCKBJ-GFCCVEGCSA-N 306.146 -0.186 50 20 DBGD OB(O)c1cccc(CNC[C@@H](O)COc2ccccc2)c1 585018327 UVXKZNYWLDCTCA-OAHLLOKOSA-N 301.151 -0.104 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1cccc(C(F)(F)F)c1=O 727761463 GORQXVUEQUIIDR-UHFFFAOYSA-N 320.271 -0.424 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ncn1 758960358 NAWWQZJUFIYROJ-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD CN1CCC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)C1=O 761745798 MHPITXQBJONYCJ-UHFFFAOYSA-N 313.321 -0.326 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCC1 770956642 WGOGQZFZCGQIDU-VIFPVBQESA-N 305.400 -0.102 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCC(=O)N1C 807371516 JZMIGJRBBCVGDZ-SECBINFHSA-N 301.343 -0.456 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 849308379 MSSBBYNKYAVLQT-GXSJLCMTSA-N 321.399 -0.612 50 20 DBGD O=C(CNC(=O)NC1CCCCC1)NNC(=O)c1cc[nH]n1 855358983 AKBIWKHUTJZTMV-UHFFFAOYSA-N 308.342 -0.197 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1cccc(F)n1 856422285 QWXADBAVKIIEPG-UHFFFAOYSA-N 322.296 -0.089 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)N1 858190237 FBOPJFFCCLKBJL-MXWKQRLJSA-N 309.370 -0.778 50 20 DBGD CCCc1nnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 860311202 JUIFRXBUXJGURX-ZCFIWIBFSA-N 312.355 -0.078 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC(c3ccccc3)=NO2)N1 862451551 DLYWZIAZLCXXBT-PWSUYJOCSA-N 316.317 -0.394 50 20 DBGD COc1ccc(F)cc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459713 ARUNKBSNEDTDCM-SNVBAGLBSA-N 309.297 -0.197 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)C2(N(C)C)CC2)C[C@H](C)O1 863853813 DLSFCPUXMFVABM-RYUDHWBXSA-N 312.414 -0.273 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1nc2ncccn2n1 1116663362 LTQHFFDDDJNBOJ-QMMMGPOBSA-N 320.309 -0.844 50 20 DBGD O=C(NNC(=O)c1cn2c(n1)CCCC2)C(=O)N1CCCC1 1119928780 CMEWJXPKHOIPLJ-UHFFFAOYSA-N 305.338 -0.397 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1cccn1 1251156192 QHIJESJNQYTZNJ-DTWKUNHWSA-N 300.340 -0.974 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=CC1CCOCC1 1253640429 AIZBCAGBTDPZOX-UHFFFAOYSA-N 313.339 -0.097 50 20 DBGD COc1ccc(C(=O)NNC(=O)NCCn2cncn2)cc1 1318281189 NFECZOLIJMYIGZ-UHFFFAOYSA-N 304.310 -0.069 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cc(C)nn1C 1323740256 MUADMLYUVJNOED-SNVBAGLBSA-N 313.358 -0.390 50 20 DBGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 1324684635 TYNKRUDZNKRSQG-UHFFFAOYSA-N 303.344 -0.819 50 20 DBGD Cc1nn(C)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1[N+](=O)[O-] 1324980099 SDLXCSUKGAGMNN-UHFFFAOYSA-N 324.297 -0.980 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c(F)ccnc1F 1326762084 DGKWMNLOPCYKEV-LURJTMIESA-N 319.289 -0.445 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 1337975359 YRBWCYXMYPBVIJ-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD Cc1nnsc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1343847098 PHOWWSGXNSFTPJ-ZETCQYMHSA-N 303.369 -0.333 50 20 DBGD Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1348434937 BSGMBVRAOSHYGL-ZETCQYMHSA-N 316.383 -0.603 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccnn1C1CNC1 1576903196 HHNVAWUXMFOSKO-PSASIEDQSA-N 308.342 -0.395 50 20 DBGD O=C(NCc1cn(C2CNC2)nn1)NNC(=O)c1ccccc1 1580726477 DBJPSVSXKXSAIN-UHFFFAOYSA-N 315.337 -0.433 50 20 DBGD CO[C@@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1591319957 OZNHFYGWVAIGTE-QMMMGPOBSA-N 320.309 -0.572 50 20 DBGD O=C(O)C1=NO[C@@H](C(=O)NNC(=S)Nc2ccccn2)C1 1594890391 RLQQDQQWWTVCLC-SSDOTTSWSA-N 309.307 -0.371 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)C(=O)O)C(=O)OC(C)(C)C 1595149845 KPZDCABISWFQLM-ZETCQYMHSA-N 303.315 -0.231 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN[C@]2(C(=O)O)CCOC2)cc1 1600341080 LYGUKFZWCPIJPY-OAHLLOKOSA-N 321.333 -0.411 50 20 DBGD CCOCCCNC(=O)/C(C#N)=C/c1cn(C)c(=O)n(C)c1=O 25251379 MFNUPCAKAGQYBS-DHZHZOJOSA-N 320.349 -0.466 50 20 DBGD CC(C)NC(=O)NNC(=O)c1csc(S(N)(=O)=O)c1 49477090 NWLGIYXBUYJGLO-UHFFFAOYSA-N 306.369 -0.252 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 173691156 GSQSBYOYSLWHID-JTQLQIEISA-N 307.354 -0.814 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)COc1ccccc1O 264458166 DQCDCLXMACELAM-UHFFFAOYSA-N 311.294 -0.383 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)COc2ccc(F)cc2)C1=O 265830322 RXNIZGAWMPBTKT-NSHDSACASA-N 324.312 -0.234 50 20 DBGD COC(=O)N1CC(NC(=O)NNc2nc(C)cc(OC)n2)C1 269301395 UOLPVDUFWOQBLX-UHFFFAOYSA-N 310.314 -0.130 50 20 DBGD C#Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 289550430 OSMAYAPXGQQIMP-CYBMUJFWSA-N 320.370 -0.208 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNc1cncc(Cl)n1 291157125 ZRDBBLRCIJXXAQ-UHFFFAOYSA-N 322.778 -0.353 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNc1ncncc1F 293284983 HEVXJZQKGPANKW-UHFFFAOYSA-N 306.323 -0.867 50 20 DBGD CN(CC(=O)NNC(=O)CC1CC1)c1ncnc2nc[nH]c12 294239367 SBPRDAHLLVFXRS-UHFFFAOYSA-N 303.326 -0.263 50 20 DBGD CC(C)[C@@H](CO)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 298756954 CMZUSCFIMKYLQP-GFCCVEGCSA-N 324.337 -0.038 50 20 DBGD CCC(=O)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584932162 ICMRTNMVHODHNJ-UHFFFAOYSA-N 304.155 -0.549 50 20 DBGD CC(C)C(=O)N1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584962970 UCDATSQYKOLLCV-CYBMUJFWSA-N 304.155 -0.647 50 20 DBGD Cn1c2c(ccc1=O)[C@H](NCc1ccc(B(O)O)o1)CCC2 585045581 JFMLDGFGWYSYTG-GFCCVEGCSA-N 302.139 -0.175 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 731879588 PBRDMUQMQOLXAL-UHFFFAOYSA-N 320.265 -0.751 50 20 DBGD O=C(CN1CCCN(C[C@@H]2CCCO2)CC1)NNC(=O)C1CC1 738318209 QETQDEYBQJVRMX-AWEZNQCLSA-N 324.425 -0.270 50 20 DBGD Cc1nccn1CCNC(=O)NNC(=O)C(=O)N1CCCC1 749215768 RVPJMSXAYSOJLU-UHFFFAOYSA-N 308.342 -0.856 50 20 DBGD C=C(C)[C@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)OCC 755425558 MZRUKAJENOXVTL-QWRGUYRKSA-N 318.395 -0.060 50 20 DBGD CC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764211958 NNZYMBIEEPWPCO-UHFFFAOYSA-N 306.322 -0.463 50 20 DBGD Cc1ccnn1-c1ccccc1NC(=O)C(=O)NNC(=O)CO 764421654 PTKJKIFXJXYNKP-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 768261026 KGZYCORLWXARPY-UHFFFAOYSA-N 311.250 -0.145 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1ncncc1Cl 781017360 VLLQBNDALNUUTD-UHFFFAOYSA-N 324.732 -0.091 50 20 DBGD CC1(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)COC1 782394307 ZHOSGVIBUBSDPM-UHFFFAOYSA-N 317.301 -0.101 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(C)=O)cc(-n2cccn2)c1 792351581 TUKHELPIBVVWGR-UHFFFAOYSA-N 317.305 -0.013 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cn(C)c(C)n1 800811039 FJQSDSBCPFWUDA-JTQLQIEISA-N 313.383 -0.061 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc2c1OCC(=O)N2 810258933 ZRKIGMPNZUPTSC-UHFFFAOYSA-N 307.310 -0.268 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 833256992 SGXBZSFJMJLGLZ-GHMZBOCLSA-N 313.354 -0.802 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCNC2=O)c1 854190725 HKUVMLZKRAFERR-GFCCVEGCSA-N 305.334 -0.034 50 20 DBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)N1CCN(C)CC1 854379191 RFJRKQFBKGVJBD-LBPRGKRZSA-N 313.402 -0.475 50 20 DBGD CCOC(=O)c1cc(C(=O)NNC(=O)c2cn(C)nn2)on1 855191711 FORJZXVCYBONOR-UHFFFAOYSA-N 308.254 -0.945 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1cc[nH]n1 855356875 ZSAIJYMMBOTAPM-DTORHVGOSA-N 317.305 -0.878 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCOC3(CCC3)C2)N1 858514027 NNUXLCPLXCRNEM-GHMZBOCLSA-N 324.381 -0.055 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)N1 858593459 CRBKYKSGAVZQOW-TUAOUCFPSA-N 323.397 -0.388 50 20 DBGD Cc1cc(=NNC(=O)Nc2ncn(CC(=O)N(C)C)n2)cc[nH]1 860695590 UZEFZJWHGSXDKD-UHFFFAOYSA-N 318.341 -0.360 50 20 DBGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450499 VDYRFNTUZMWUTR-IGJMFERPSA-N 319.317 -0.359 50 20 DBGD CCOC(=O)CN(C(=O)c1ccc(B(O)O)cc1)C1CCC1 863879411 RXOIJQNWHTZCFR-UHFFFAOYSA-N 305.139 -0.076 50 20 DBGD CSCCNC(=S)NNC(=O)c1cccn2nnnc12 901291514 IYASBAKCLNZPMB-UHFFFAOYSA-N 311.396 -0.404 50 20 DBGD C[C@]1(Br)C[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913729872 BRCZTYLNYNXPKV-HQJQHLMTSA-N 318.171 -0.070 50 20 DBGD Cc1cc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)on1 1115947226 HFPRVYIMFJEOHR-UHFFFAOYSA-N 321.293 -0.164 50 20 DBGD Cc1nc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cn1C 1116438224 ISRCBTPTFFZRIN-UHFFFAOYSA-N 320.802 -0.200 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@]2(CCOC2)O1 1118810631 LMKSHGKZQRMXGO-RNCFNFMXSA-N 309.326 -0.356 50 20 DBGD Cc1csc([C@H](C)C(=O)NNC(=O)CS(C)(=O)=O)n1 1118895414 SABLVYHTKWFEMX-SSDOTTSWSA-N 305.381 -0.253 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ncoc1C 1254152855 GCTLSWHEXPAWHN-SECBINFHSA-N 300.315 -0.135 50 20 DBGD Cc1cc(NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)ncn1 1318530064 UZFBXOJRNUQGIE-SNVBAGLBSA-N 313.383 -0.653 50 20 DBGD CNC(=O)CCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1320513927 OSZISJRWLYKFTD-UHFFFAOYSA-N 307.354 -0.034 50 20 DBGD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NNc1nncc(N)c1Cl 1321208663 ANEGEICCZLPEDX-YLWLKBPMSA-N 313.749 -0.137 50 20 DBGD Cn1ccc(CCC(=O)NNc2nc(O)c3cnn(C)c3n2)n1 1326283460 NUWUOECLZVXYPW-UHFFFAOYSA-N 316.325 -0.122 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1nc2ncccn2n1 1582562417 QQLOCZQSJFRWEP-UHFFFAOYSA-N 323.280 -0.544 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1 1588526721 XIEMLNMYRXHDEM-GHMZBOCLSA-N 320.305 -0.088 50 20 DBGD O=C(O)CN(CCN1CCOCC1)S(=O)(=O)CCl 1602055338 MPIIXHPNOSVBQQ-UHFFFAOYSA-N 300.764 -0.769 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cncn1-c1ccccc1 1604433683 GKPLYUYKGJLBMO-LLVKDONJSA-N 318.289 -0.267 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1ncc(C(=O)O)s1 1610149255 CEZOFMDIODSQMC-SCSAIBSYSA-N 316.295 -0.594 50 20 DBGD CCOC(=O)NNC(=O)c1cccc(S(=O)(=O)NC)c1 48089657 SSTBBXOAPUAXKW-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)N1CCc2c(Cl)cccc21 126419584 OOMNWTIENIWWPB-UHFFFAOYSA-N 324.768 -0.062 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(CC#N)c1 273540293 WVALMALZZBKEID-VIFPVBQESA-N 324.362 -0.549 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)N[C@H](C)C(F)(F)F 288734179 FVIHVTWDKIAGJF-CRCLSJGQSA-N 320.293 -0.795 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)N1 298079392 VCZVIMYSUJVVEY-GZMMTYOYSA-N 305.290 -0.748 50 20 DBGD C[C@H](C(=O)NNC(=O)Cn1cnc2ccccc21)S(C)(=O)=O 298689236 ZUGXLFJPJXKVAS-SECBINFHSA-N 324.362 -0.383 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 490850174 CCIVAJSMDHUQJB-UHFFFAOYSA-N 302.331 -0.817 50 20 DBGD CC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N(C)C 494641939 USJKCFMRRRLGTI-SECBINFHSA-N 302.375 -0.001 50 20 DBGD CC1(C)CCC(NC(=O)c2ccc(B(O)O)cc2)(C(N)=O)CC1 584967291 IOQCNWWZLUXYDI-UHFFFAOYSA-N 318.182 -0.080 50 20 DBGD C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc(B(O)O)ccc1F 584996388 GPZCSLLAXFZKJR-VIFPVBQESA-N 305.118 -0.400 50 20 DBGD NC(=O)[C@H](CNCc1ccc(B(O)O)o1)Cc1ccc(F)cc1 585033005 UGHWEUHFFZFWNN-NSHDSACASA-N 320.129 -0.468 50 20 DBGD Cn1cc(Br)c(CNCc2ccc(B(O)O)o2)n1 585043562 NWAGJSGDYVVQMV-UHFFFAOYSA-N 313.948 -0.255 50 20 DBGD CC(C)(C)N1CC[C@H](NCc2ccc(B(O)O)cc2F)C1=O 585048201 KVZDXPPPHBKUDD-ZDUSSCGKSA-N 308.162 -0.006 50 20 DBGD COc1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cnc1Cl 585058111 AILMNVKTIBTHGM-ZETCQYMHSA-N 320.563 -0.019 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@@]12CCC(=O)N1CCS2 728892343 TXXYLSDSTUMHGP-AWEZNQCLSA-N 320.374 -0.163 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CCOC1 752157097 XNXUABOWOTWOBO-MRVPVSSYSA-N 312.351 -0.403 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccn2)co1 757627910 HWCAXXHRCCGWFQ-UHFFFAOYSA-N 310.291 -0.603 50 20 DBGD O=C(CNC(=O)c1cccnc1)NN=C1CCS(=O)CC1 763191850 BLGGYIMNSHUODD-UHFFFAOYSA-N 308.363 -0.174 50 20 DBGD COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CBr 782454798 OOXMHCYYUWXAMQ-RITPCOANSA-N 302.146 -0.723 50 20 DBGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1ncc[nH]1 790155403 IXNTZULDIAHSAZ-UHFFFAOYSA-N 309.311 -0.362 50 20 DBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)NCC(F)(F)F)S1 798314058 VJVKZFBBBYEKQU-VKHMYHEASA-N 313.261 -0.564 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNc1ncncc1F 817077520 IAJYBLORJMYONG-UHFFFAOYSA-N 305.335 -0.222 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843642768 GRKMRVMQRPQVLX-UWVGGRQHSA-N 306.384 -0.370 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)NCC(F)(F)F 847117755 XUXFQXOPLYMJKX-RXMQYKEDSA-N 320.293 -0.793 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCCN2CCCC[C@@H]12 847443532 UOQMZRSZNOQDMB-NEPJUHHUSA-N 323.397 -0.388 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCN1C(N)=O 854282150 FFNKIWWYKKHERK-VIFPVBQESA-N 317.415 -0.597 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ncc(Cl)cn2)O1 856878248 NMJYQIFPLKPCOF-JGVFFNPUSA-N 314.733 -0.211 50 20 DBGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860741121 UBHZBCVLONLWFJ-MRVPVSSYSA-N 307.310 -0.875 50 20 DBGD O=C(NNC(=O)[C@]1(C2CCCC2)CCNC1=O)c1ncccn1 862005705 HNYGQCOFVAJTLE-HNNXBMFYSA-N 317.349 -0.066 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NN[C@@H](C)C(F)(F)F 862312319 JJEUIDSYSSOBCL-IONNQARKSA-N 324.303 -0.315 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)N1 862457975 UWNSSPAEHRSEFM-MRVPVSSYSA-N 308.250 -0.660 50 20 DBGD CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 863884083 XUTZOHIIZPRXJC-CYBMUJFWSA-N 320.154 -0.331 50 20 DBGD COC(=O)NC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863886167 VWEZABPEGSUGOZ-UHFFFAOYSA-N 306.127 -0.673 50 20 DBGD COC(=O)[C@@H]1CSCCN1CC(=O)NNC(=O)C1CC1 887076059 WAZKPCFSDQBHJA-VIFPVBQESA-N 301.368 -0.866 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)CCc2ccccc2)C1=O 900475256 DUGWNCKVURKTHK-CYBMUJFWSA-N 305.334 -0.376 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@H]1OCCN(C)C1=O)C1CC1 912162884 ZKMXBMKQCOBYOD-VXNVDRBHSA-N 300.384 -0.863 50 20 DBGD CNC(=O)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 912808635 IBYGUCMZBKZYDF-GFCCVEGCSA-N 323.374 -0.069 50 20 DBGD O=C(N[C@@H](CO)C[C@H]1CCCO1)c1cc(B(O)O)ccc1F 923747255 HSXVGRHKOVBWFI-GHMZBOCLSA-N 311.118 -0.835 50 20 DBGD CS(=O)(=O)CCNC(=O)NNc1nncc(N)c1Cl 1116299929 MQPJGFVDMNIWLD-UHFFFAOYSA-N 308.751 -0.617 50 20 DBGD O=C(NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccc[nH]1 1117377539 CQEYCLLSTRSJBU-SECBINFHSA-N 311.363 -0.009 50 20 DBGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 1252740793 QNVYLOYTIPOHES-UHFFFAOYSA-N 304.328 -0.588 50 20 DBGD Cn1ccc(NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 1320979123 ZFTGKNVWGNTJCI-WTTBSCSTSA-N 315.333 -0.330 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnn(CCF)c1 1322822789 LVFHCRGRVKOWLI-MRVPVSSYSA-N 318.330 -0.952 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1 1323941186 OEAXGTSOORCDMR-UHFFFAOYSA-N 306.322 -0.083 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2noc3c2CCCC3)N1 1334932806 FJTGPYBKEKEMKC-VIFPVBQESA-N 321.337 -0.338 50 20 DBGD C#CCCCC(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1336578147 WEINUONUALTBJL-LLVKDONJSA-N 315.395 -0.944 50 20 DBGD COc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)on1 1337728862 XZRXZBBQXRGUQV-QMMMGPOBSA-N 303.340 -0.211 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 1342634448 DRUFENGFMZZHHM-UHFFFAOYSA-N 306.278 -0.702 50 20 DBGD C[C@@H]1C[C@H]2CC[C@H](C(=O)NNC(=O)CN3CCCC3=O)CN2C1 1520380382 KLWXZROQFNGWEI-FRRDWIJNSA-N 322.409 -0.123 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2CCNCC2)c1F 1573943451 WVIJOIXJYAIQOZ-UHFFFAOYSA-N 310.329 -0.039 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@]12CNC[C@@H]1COC2 1579297852 AZHDKOQRXOHZTQ-MEBBXXQBSA-N 305.334 -0.308 50 20 DBGD O=C(NNC(=O)c1cccnn1)Nc1cnc2c(c1)CNCC2 1580737152 MAPUUTSIUWKQOF-UHFFFAOYSA-N 313.321 -0.016 50 20 DBGD NCCCC(=O)NNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 1606437565 MSRKISXOHGNJEG-UHFFFAOYSA-N 322.304 -0.103 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 1608476981 DIQGJIDERUVJSZ-NXEZZACHSA-N 308.294 -0.283 50 20 DBGD Cn1nc(C(=O)O)cc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1776027790 HBMICSYVXFYQGK-SSDOTTSWSA-N 314.323 -0.997 50 20 DBGD CC(C)(CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847437385 YLCPBQGAGZUNCE-IUCAKERBSA-N 304.774 -0.236 50 20 DBGD CC(C)NC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1 49477092 QWAQEYVEZRXETE-UHFFFAOYSA-N 300.340 -0.314 50 20 DBGD O=C(CN1CCS(=O)CC1)NNC(=O)c1cccs1 111223318 PIRUMNTUGHTMMU-UHFFFAOYSA-N 301.393 -0.427 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNc1cnccn1 265237776 ZLGQHLGBEHUMDC-VDUILEQBSA-N 313.317 -0.273 50 20 DBGD CC(=O)NNC(=O)CCc1c(C)nc2c(c1C)c(=O)[nH]n2C 268037454 WULZEISPSDDQIO-UHFFFAOYSA-N 305.338 -0.022 50 20 DBGD C[C@@H](O)CN(CCO)CC(=O)NNC(=O)c1cccs1 313424444 XVBSETJQCUHKDP-SECBINFHSA-N 301.368 -0.816 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)cc1 367200908 MSYCVEGOGQOHBA-AWEZNQCLSA-N 313.361 -0.291 50 20 DBGD CCOC(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 494057149 AJOJHHPBXCKNGD-UHFFFAOYSA-N 305.312 -0.079 50 20 DBGD CNC(=O)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584926163 DQLRDDQHRPYYDA-UHFFFAOYSA-N 308.118 -0.896 50 20 DBGD Cn1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1 727365296 CTJIPYAIWWAABY-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)c1ccccn1 727481351 CIJAFMQZAAAUGO-UHFFFAOYSA-N 314.301 -0.022 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H]1CCS(=O)(=O)C1 732196550 AGYQBZBCEZCTTE-QWRGUYRKSA-N 319.427 -0.313 50 20 DBGD Cn1cc(S(=O)(=O)NCC(=O)NNc2ccccc2)cn1 732265461 ACJDJEZBOAJFAB-UHFFFAOYSA-N 309.351 -0.158 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cnc2O)cn1 735520798 AHYKALFYECDTFB-UHFFFAOYSA-N 306.238 -0.496 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CC1)[C@H]1COc2ccccc2O1 738507226 ZNIDXBOHUJXVNU-SNVBAGLBSA-N 306.274 -0.161 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)CS(C)(=O)=O 746860313 ZEJGEFLLSHLNNL-MRVPVSSYSA-N 321.399 -0.881 50 20 DBGD COCC[C@]1(NCC(=O)NNC(=O)C(C)(C)C)CCOC1 773948367 MBDDGOWAJMSZNN-AWEZNQCLSA-N 301.387 -0.035 50 20 DBGD COc1c(NC(=O)NNC(=O)CO)cc(Cl)cc1C(N)=O 794389812 JHDHMGQPAWPTMR-UHFFFAOYSA-N 316.701 -0.408 50 20 DBGD C=CCNC(=S)NNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 798305307 MYZXZXLDNHXADV-JTQLQIEISA-N 324.410 -0.416 50 20 DBGD CC[S@](=O)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 803473256 PHZQSYNXZQLJKI-LXGOIASLSA-N 306.384 -0.120 50 20 DBGD CC1(C)OCC(CO)(NCC(=O)NNC(=O)C(C)(C)C)CO1 812838565 VWXVESCFTBGJIB-UHFFFAOYSA-N 317.386 -0.717 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O 824317053 UPBLNFOJWJFQAO-UHFFFAOYSA-N 305.338 -0.313 50 20 DBGD C[C@@H]1[C@H](O)CCN1CC(=O)NNC(=O)c1cccc(C#N)c1 832220257 QQWLBRDSKSRQIO-ZWNOBZJWSA-N 302.334 -0.226 50 20 DBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)[C@@H]1CCCCO1 836349819 MRVWYDMPRWNKOK-RYUDHWBXSA-N 314.386 -0.393 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 843659720 YNKJBDKXSYEKQP-IUCAKERBSA-N 304.368 -0.474 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)nn1 844135893 ZVDHOVSFJOEMNM-JTQLQIEISA-N 318.337 -0.580 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCCn1cncn1 854281160 AZYDTVDUTVQEJQ-UHFFFAOYSA-N 314.415 -0.068 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 854388777 XOODWQQJBIWHKM-YUMQZZPRSA-N 303.315 -0.580 50 20 DBGD CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858698014 XDBCIOZUMQHAHH-GHMZBOCLSA-N 312.370 -0.247 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2COCCN2C2CCCC2)N1 862458308 CCLFFIXQFVXRGS-NEPJUHHUSA-N 324.381 -0.944 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)o1 864230900 GHRWFRMCWLGHNI-ZETCQYMHSA-N 303.101 -0.696 50 20 DBGD CC(C)(CCl)CS(=O)(=O)N1CCN(C(=O)CO)CC1 867054567 RKSHSIVFAITEFA-UHFFFAOYSA-N 312.819 -0.282 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 915782623 DMVCLGHVMKLGKT-NSHDSACASA-N 318.333 -0.002 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O)cn1 1116217500 CFJXGJJDANPBNM-UHFFFAOYSA-N 317.371 -0.813 50 20 DBGD O=C(Cn1cccn1)NNC(=O)c1nnc(O)c2ccccc12 1248474900 SERLRJBCKNWAKN-UHFFFAOYSA-N 312.289 -0.007 50 20 DBGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 1254904597 CUVRLUUKBWOGJU-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 1254905999 XPESLVNDWKMZKN-UHFFFAOYSA-N 320.305 -0.887 50 20 DBGD Cc1nccn1CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1318135189 IXIPPFQAFSZNSF-GFCCVEGCSA-N 315.399 -0.427 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 1321667284 CIAFXWODJZGELZ-UHFFFAOYSA-N 324.680 -0.529 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(=O)OC)c1 1325552443 BYHCZUOWMZYMHU-UHFFFAOYSA-N 313.241 -0.062 50 20 DBGD N[C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)NNC(=O)C3CC3)C2)C1 1326538685 DOLHEEPASPAQEP-MCIONIFRSA-N 324.425 -0.238 50 20 DBGD CN(C)Cc1ccsc1C(=O)NNC(=O)CS(C)(=O)=O 1335368793 WILXTIPMYMGZPD-UHFFFAOYSA-N 319.408 -0.385 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CN1C(=O)CNC1=O)c1ccccc1 1338859640 BGQDTMHPBMOPBN-LLVKDONJSA-N 318.333 -0.121 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)Cc1ccncc1 1339877480 BHGHHFQKSSHPIG-SECBINFHSA-N 314.367 -0.612 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1346507935 BFCXYLALRJNNTQ-VHSXEESVSA-N 317.484 -0.767 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(C(=O)O)=NO2)c1 1574489871 RKAWDLIVRRNYNI-JTQLQIEISA-N 302.246 -0.451 50 20 DBGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1C 1589298319 CFEDZPFVFLBRIZ-UHFFFAOYSA-N 307.262 -0.632 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 1589720264 JRULYKAVOTWVEH-UHFFFAOYSA-N 323.338 -0.786 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1590336526 IJRXHPCYKIKIFP-HTQZYQBOSA-N 319.325 -0.609 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](C(=O)O)C1CC1 1593994893 YKRUHDWOLRHCGT-SECBINFHSA-N 303.384 -0.029 50 20 DBGD Cc1c(C(=O)NNC(=O)c2ccc(C(=O)O)cc2)nnn1C 1594256853 QRMHUUQBEXJJBD-UHFFFAOYSA-N 303.278 -0.103 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)Cc2ccccc2O)O[C@H]1C(=O)O 1599876171 SNYDUVANYWSKTI-XTWCZFFVSA-N 322.317 -0.040 50 20 DBGD O=C([C@@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H](O)C1 1847559787 QYGMOCHXKVBPST-OSUNSFLBSA-N 316.785 -0.441 50 20 DBGD Cn1ccc(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 160192447 HCQKZOFIQSUHLD-POHAHGRESA-N 313.317 -0.205 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cn1 265440925 ADIVRCZLEMSSDN-ZETCQYMHSA-N 317.754 -0.069 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)COc2ccccc2F)C1 266771788 JPMLITTXMGXKRH-LBPRGKRZSA-N 311.313 -0.318 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCc3cnn(C)c3C2)CC1 287794615 LUGXZFLDUXNFAY-NSHDSACASA-N 320.397 -0.487 50 20 DBGD CC(=O)C1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 292681789 OZEKQBGHGFNZQQ-UHFFFAOYSA-N 314.305 -0.208 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccnc(-n3cncn3)c2)O1 293993875 UMYMACDEYCUSFB-ONGXEEELSA-N 316.321 -0.009 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)O1 294420970 YRDIZOVPMSNJJI-ONGXEEELSA-N 306.322 -0.474 50 20 DBGD CC(=O)NCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 494042619 AUAHDWZJPVNGIQ-UHFFFAOYSA-N 316.358 -0.425 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNc2ccncn2)C1 496175150 YFBNCOGVYMFVTE-UHFFFAOYSA-N 309.326 -0.099 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C(=O)N(C)c2ccccc21 728437351 QQYKQFSTLDFLFY-QMMMGPOBSA-N 324.362 -0.579 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)c3c[nH]nc3C)nc2n1 731878962 AFDMDCNGRYKYOV-UHFFFAOYSA-N 314.309 -0.153 50 20 DBGD COC(=O)NCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1 744823264 CFNVOIHNQUGENG-UHFFFAOYSA-N 323.305 -0.345 50 20 DBGD C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)N1CCOCC1 745992441 ACHINDKWGRLNMP-LLVKDONJSA-N 320.349 -0.122 50 20 DBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)O1 756906654 UEPKHTWZBFILMX-OPRDCNLKSA-N 304.368 -0.474 50 20 DBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1 757771679 JOTIYSKTERHOTF-CABZTGNLSA-N 306.370 -0.153 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](S(C)(=O)=O)C1 763912373 YKUTULCKKFXKRV-JTQLQIEISA-N 319.427 -0.311 50 20 DBGD CCOc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)co1 771939766 ODNSNBZSWHVETC-SSDOTTSWSA-N 317.323 -0.731 50 20 DBGD CC(C)NC(=O)C(=O)NN/C=C1\C(=O)NC(=O)c2ccccc21 783683213 XMVZZNSODSMOEC-XFFZJAGNSA-N 316.317 -0.557 50 20 DBGD Cn1cc(C(=O)NN[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 784070063 BGAVEWVLXNFKTE-LBPRGKRZSA-N 305.313 -0.110 50 20 DBGD O=C(CN1CCOC[C@@H]1[C@H]1CCCC1=O)NNC(=O)C1CC1 784356662 RIXVDFZYPOQRGM-VXGBXAGGSA-N 309.366 -0.386 50 20 DBGD O=C(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)C(=O)NC1CC1 792853471 NBNJQCZHSPZLLG-DMCWRTHBSA-N 315.373 -0.194 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCc3cnn(C)c3C2)cn1 798444037 NSSXTGFZOPLASY-VIFPVBQESA-N 302.338 -0.280 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNC(=O)Cc1cc[nH]n1 798957463 XTTOTCNYCLQWSS-SNVBAGLBSA-N 302.338 -0.047 50 20 DBGD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NNC(=O)CO 800625249 LJZBCHZUXWPSBF-UHFFFAOYSA-N 314.229 -0.879 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)[C@@H](C)OCCOC)cn1 807516340 NFQJEFAEPPZVNY-SNVBAGLBSA-N 313.358 -0.215 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 816809425 XNFQMVBYYFMMSP-UWVGGRQHSA-N 306.278 -0.133 50 20 DBGD O=C(CN1CCC[C@H]1CO)NNC(=O)c1ccc([N+](=O)[O-])cc1 822115120 VHMRRFIPADEGLC-LBPRGKRZSA-N 322.321 -0.188 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)c1cc(-c2nn[nH]n2)c[nH]1 823285081 NAUBCMDWMRQRII-UHFFFAOYSA-N 311.269 -0.382 50 20 DBGD CCc1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)nc1 824877104 JWGPGAGOSHCFFX-UHFFFAOYSA-N 304.350 -0.044 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826403928 IWQDFBYXXNLTNW-UHFFFAOYSA-N 303.204 -0.092 50 20 DBGD CCOC(=O)COCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826902173 JCBJDNLNMBIVEB-UWVGGRQHSA-N 317.342 -0.679 50 20 DBGD C[C@@H]1SCC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 828541880 KKDPBCYVLYNBFI-DTWKUNHWSA-N 300.384 -0.167 50 20 DBGD O=C(O)[C@H]1C[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1 833179294 OEQOSDYUYPPVHL-IUCAKERBSA-N 307.310 -0.523 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3nnnn3CC2)n[nH]1 845902763 ICTNROWPFOSHKA-MRVPVSSYSA-N 304.314 -0.882 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCS2(=O)=O)n1 847707272 SIRMJGRTECAICD-YFKPBYRVSA-N 305.747 -0.268 50 20 DBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cc[nH]n1 855362033 MDTJLWYUWIVIGC-RKDXNWHRSA-N 319.321 -0.654 50 20 DBGD COCCn1cc(C(=O)NNc2nc(C)cc(OC)n2)nn1 857459377 KTZRNVKJIMUNPV-UHFFFAOYSA-N 307.314 -0.212 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)N1 858701721 ZKEZNWOJSSJFBQ-VWYCJHECSA-N 310.354 -0.351 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)F)c1cn[nH]c1 862471060 PIRKIVLGYHXGDD-MRVPVSSYSA-N 303.269 -0.863 50 20 DBGD CNS(=O)(=O)N1CCN(S(=O)(=O)CCCCl)CC1 882161952 PYLPUTKGNRGXGI-UHFFFAOYSA-N 319.836 -0.973 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC(O)(CN(C)C)CC1 931480527 FNISDRMLORHNMI-UHFFFAOYSA-N 300.403 -0.822 50 20 DBGD CCc1cccc(NC(=O)CNC(=O)NNC(=O)C(=O)OC)c1 1116186992 JXALSFRXZGSAKP-UHFFFAOYSA-N 322.321 -0.309 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1 1116560452 NHMPQGVSENFXLF-UHFFFAOYSA-N 302.294 -0.832 50 20 DBGD CC(=O)Nc1ccccc1CC(=O)NNC(=O)C(=O)NC(C)C 1116798553 GLVKBPFYQPVKLO-UHFFFAOYSA-N 320.349 -0.141 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCC(=O)N1CCCC1 1256157198 QUODQGWWADGDRO-UHFFFAOYSA-N 305.338 -0.423 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2CC[C@H](N)C2)C[C@@H]1Br 1261772289 UVRQCBSSYQBTND-DKCNOQQISA-N 304.188 -0.164 50 20 DBGD CN1CCC(CNC(=S)NNC(=O)c2cccnn2)CC1 1262167249 FSKWAYICGPYQGQ-UHFFFAOYSA-N 308.411 -0.073 50 20 DBGD O=C(CC[C@@H]1CCCO1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317977746 KCSOFPQZLQYRTE-UWVGGRQHSA-N 319.383 -0.537 50 20 DBGD COc1c(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)nn1C 1318475326 YPOVBAZWSOIPJQ-UHFFFAOYSA-N 309.326 -0.879 50 20 DBGD CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 1318521947 ZDCWDZIQGWPSHF-WDEREUQCSA-N 311.386 -0.532 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(-c2ncco2)c1 1325519453 JTCLJIAHDDGOSJ-UHFFFAOYSA-N 318.289 -0.190 50 20 DBGD O=C1CNC(=O)c2ccc(C(=O)NNc3cccnn3)cc2N1 1326313212 CKZDPQDBALILRN-UHFFFAOYSA-N 312.289 -0.085 50 20 DBGD COCC(=O)NCCC(=O)NNC(=S)NCC1CCC1 1328430521 HKBDTCUPERSXRJ-UHFFFAOYSA-N 302.400 -0.566 50 20 DBGD CC1(C)NC(=O)N(CCCC(=O)N2CC[C@@H](B(O)O)C2)C1=O 1329216526 XRHWAFGMBTVESE-SECBINFHSA-N 311.147 -0.828 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](CO)c1cnn(C)c1 1329252463 IIXOHDFIYSPCLD-INTQDDNPSA-N 311.342 -0.791 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1 1331120067 INIJWYQPIDKBNY-UWVGGRQHSA-N 320.353 -0.732 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc2oc(O)nc2n1 1333884442 IOUYICJOVVMDEV-UHFFFAOYSA-N 309.282 -0.091 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCc2nnnn2CC1 1346184341 XRZHTBIZNYTATB-NSHDSACASA-N 315.337 -0.589 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2CCCN(CCN)C2=O)n1 1579317373 SBFAPWHHCKSANO-SECBINFHSA-N 308.342 -0.874 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1591272332 FVVPZJKQGOSOTM-UHFFFAOYSA-N 313.299 -0.847 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccccc1C(=O)O 1594164524 XLFGNWHZWWWVRN-UHFFFAOYSA-N 314.319 -0.881 50 20 DBGD O=C(O)CSCCNC(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1602099626 FJXKYGBBUASQAG-IWSPIJDZSA-N 317.367 -0.298 50 20 DBGD C[C@H](O)C[C@H](CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1604383685 OKULSTBUWLIFHJ-GXSJLCMTSA-N 309.322 -0.044 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN[C@]1(CC(=O)O)CCCOC1 1609653436 VJOCAKBRJDLXJM-AWEZNQCLSA-N 315.370 -0.207 50 20 DBGD CC(C)(O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559255 SUGCOBKEFNTQQO-GARJFASQSA-N 318.801 -0.051 50 20 DBGD O=C(CN1CCc2ccccc21)NNC(=O)C(=O)NC1CC1 57137571 VBUNZCZGVRMOET-UHFFFAOYSA-N 302.334 -0.525 50 20 DBGD O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)CCCCl)C2)N1 168090470 XTVVAMGSTXIKSN-JTQLQIEISA-N 309.775 -0.381 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNc1cccc(F)n1 287533327 UPOOITMDCXXOOI-UHFFFAOYSA-N 320.346 -0.092 50 20 DBGD CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](CO)O1 323174470 NRXKHKZZMLOJJB-ZDUSSCGKSA-N 321.377 -0.081 50 20 DBGD C[C@@H]1CC(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 378521694 ZKBTURGEEAQFKN-LLVKDONJSA-N 304.350 -0.342 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)Nc1cccc(B(O)O)c1)CC2 584911883 NZNCRPHPHVHDGC-VIFPVBQESA-N 300.127 -0.762 50 20 DBGD Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584967527 WGNZDKFFLYBEOM-NSHDSACASA-N 317.129 -0.131 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)c2cccc(B(O)O)c2)[C@]12CCCO2 584975701 NDVJTEANCWTZNG-IIAWOOMASA-N 319.166 -0.177 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(O[C@H]2CCOC2)CC1 584999952 YWWKGNQEPPWLCU-HNNXBMFYSA-N 319.166 -0.224 50 20 DBGD COC[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccs1 745319016 SIDVONBSQXCUNQ-GFCCVEGCSA-N 316.335 -0.550 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](CO)OC[C@H]2C)cc1 766942540 DIROLYWHYTWGMT-OCCSQVGLSA-N 321.377 -0.162 50 20 DBGD CNC(=O)NCC(=O)NNc1cccc(S(C)(=O)=O)c1 776714348 ABTYUWBZMSHKNF-UHFFFAOYSA-N 300.340 -0.538 50 20 DBGD COCCN(CC(=O)OC)S(=O)(=O)CBr 782443931 COROSQOTDPDSPH-UHFFFAOYSA-N 304.162 -0.210 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)nc1O 792215905 MVUICBVVSVNSLJ-JTQLQIEISA-N 315.293 -0.083 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C)nc(NC)n1 805621431 JRXROOKGGKAHEE-MRVPVSSYSA-N 309.326 -0.071 50 20 DBGD NC(=O)c1ccc(NNC(=O)Cc2n[nH]c3c2CCCC3)nn1 807046446 XTTGVZZCPMHXJP-UHFFFAOYSA-N 315.337 -0.137 50 20 DBGD CO[C@@H]1COC[C@@H]1NCC(=O)NNC(=O)c1ccc(C)cc1 839200755 ZWQYVEFVRDWKCK-QWHCGFSZSA-N 307.350 -0.241 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC[C@@H]1C(N)=O 847287127 NWWFPBZLYWVBRE-VHSXEESVSA-N 321.333 -0.267 50 20 DBGD CCOC(=O)[C@H](N)C(=O)NNc1nc(-c2ccncc2)no1 852864946 NFXRIZDKWHMCIM-MRVPVSSYSA-N 306.282 -0.535 50 20 DBGD CN1CCN(C(=O)NNC(=O)CNc2ccc(C#N)cn2)CC1 854379241 SWBWXMSSMYWMRL-UHFFFAOYSA-N 317.353 -0.647 50 20 DBGD O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1CCC(=O)N1 862449450 PLCPFRMITWXETC-JTQLQIEISA-N 306.278 -0.437 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2Cc3cc(F)ccc3O2)N1 862454019 BLMWBDNHGGYGBQ-MWLCHTKSSA-N 307.281 -0.445 50 20 DBGD O=C(CSCc1cscn1)NNC(=O)[C@H]1CCC(=O)N1 862458109 XNJVNBAYGXSXST-MRVPVSSYSA-N 314.392 -0.198 50 20 DBGD C[C@](O)(CCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461940 NGZFCIPYXZDUJQ-LRDDRELGSA-N 319.361 -0.204 50 20 DBGD O=C1CC[C@H](C(=O)NN=C2CCS(=O)(=O)c3ccccc32)N1 863147100 YLZOBFVSOPWKIH-LLVKDONJSA-N 321.358 -0.037 50 20 DBGD COC(=O)/C=C\c1ccc(C=NNC(=O)CS(C)(=O)=O)o1 863183979 QZNNFEKBQSGNQC-XXBOQSFNSA-N 314.319 -0.040 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@H](C(F)(F)F)C1 866008107 REWIJRVSZARPJX-JTQLQIEISA-N 303.045 -0.230 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@H]2CCN(C)C2=O)cn1 874953880 KFDSNCCMIXFIRV-SECBINFHSA-N 323.378 -0.114 50 20 DBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=S)NC(C)(C)C 899992057 LGWSQDUAYKSOKV-MRVPVSSYSA-N 324.472 -0.146 50 20 DBGD CN(C)C(=O)NNC(=O)c1c[nH]nc1I 900426972 DBAQRHYJGZRTJF-UHFFFAOYSA-N 323.094 -0.070 50 20 DBGD CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(CCl)cc1 914373353 WJBPJTFWCZIUBK-JTQLQIEISA-N 306.771 -0.189 50 20 DBGD O=C(CNC(=O)NNC(=O)Cc1cccnc1)NCC(F)F 1256410081 XSBKDIYZCOGXHG-UHFFFAOYSA-N 315.280 -0.664 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 1317958623 FRVXNHCGUDXNDL-SNVBAGLBSA-N 312.351 -0.479 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CC1)CNC(=O)C2 1325991701 WWUFJMVYNAMGEU-MNOVXSKESA-N 324.381 -0.246 50 20 DBGD N#Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCCO2)n1 1328223355 JLWHXHJHBGLFSO-JTQLQIEISA-N 317.305 -0.392 50 20 DBGD COC(=O)C(=O)NNC(=O)NC1CCN(CC(C)C)CC1 1330489880 RQICYIKEOAQAMN-UHFFFAOYSA-N 300.359 -0.390 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N[C@H]2CCNC2)C[C@@H]1Br 1334720102 BNLGIVUZHSGVRK-LAEOZQHASA-N 304.188 -0.246 50 20 DBGD C[C@@H](N)[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1576105996 ZBUZRKAGJCTAFH-NXEZZACHSA-N 315.418 -0.005 50 20 DBGD CCOCn1nc(C)c(CC(=O)NNC(=O)NCCN)c1C 1578146185 KYOJCLZCYCMHHT-UHFFFAOYSA-N 312.374 -0.674 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@]1(C)CNCCO1 1579310029 WPPFTEHPYSMLTP-HNNXBMFYSA-N 323.349 -0.400 50 20 DBGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)[C@H]1CCCNC1 1580509221 SYPXCKGGXAKOPE-ZJUUUORDSA-N 301.368 -0.918 50 20 DBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1589218735 CPOBTPIEKXGXAS-MADCSZMMSA-N 318.351 -0.931 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 1593909514 ZRGBMHZOXRVMPE-OIBJUYFYSA-N 314.269 -0.160 50 20 DBGD O=C(NCCc1ccc2c(c1)OCCO2)NNC(=O)C(=O)O 1601512354 QDZPBYSSBMJCDL-UHFFFAOYSA-N 309.278 -0.585 50 20 DBGD CN(C)N(C(=O)[C@@H]1CC[C@H](C(=O)O)C1)[C@H]1CCS(=O)(=O)C1 1604074947 OQIZZNWDFLWMGE-VWYCJHECSA-N 318.395 -0.020 50 20 DBGD Cc1cc(NC(=O)NNC(=O)CCO)cc(-c2nn[nH]n2)c1 1605713356 NUMKVXIGAOLFPH-UHFFFAOYSA-N 305.298 -0.290 50 20 DBGD COCCNC(=S)NNC(=O)[C@H]1COc2ccccc2O1 16185050 XFSNNGVKTQKREG-LLVKDONJSA-N 311.363 -0.032 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC)cc1 48949520 LBEMXWYUPWTXBS-UHFFFAOYSA-N 300.340 -0.441 50 20 DBGD CNC(=O)NNC(=O)[C@H](c1ccccc1)N1CCN(C)CC1 110660694 CMUBPJAHDWACIH-ZDUSSCGKSA-N 305.382 -0.065 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H](C)NC(=O)c1ccco1 139676990 JNMVDIRCGUWFIW-VIFPVBQESA-N 312.326 -0.235 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cccc(-n3cnnn3)c2)[nH]n1 153084097 YGOIKAQRDDXUGP-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)c1cnn(C)c1 265369522 ZKHCQBREGKOXNO-UHFFFAOYSA-N 306.282 -0.698 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1 265496192 CCQBOHVAUXZOCE-ZDUSSCGKSA-N 321.381 -0.325 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)NCCCOC)c1[N+](=O)[O-] 277637268 CYJJSAOSMNJDHA-UHFFFAOYSA-N 314.302 -0.139 50 20 DBGD CCOCC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 281804537 CTZJNTQFMJMAAP-UHFFFAOYSA-N 320.349 -0.225 50 20 DBGD C[C@H]1NC(C(=O)NNC(=O)N(C)C)=NN(c2ccccc2)C1=O 299395632 UBOOOLKAPQBCTC-SECBINFHSA-N 318.337 -0.373 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)C(C)(C)O)c2ccccc2C1=O 375754452 JXFLGBOGWJULJC-NSHDSACASA-N 305.334 -0.226 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN1c1ncnc2sccc12 378520905 XXORNJFBHCTWSB-SECBINFHSA-N 321.362 -0.200 50 20 DBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@@]1=O 584956846 BULJVIAFLZRVAY-NRFANRHFSA-N 313.159 -0.511 50 20 DBGD C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584973529 OCFLKLFTCWLDGI-FFVOIRBGSA-N 301.148 -0.656 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)S1(=O)=O 584990596 GAVQILDYKSFDJE-AOOOYVTPSA-N 311.168 -0.986 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](C(=O)N2CCCC2)C1 584990637 ZHOPVJRKMDVNAK-ZDUSSCGKSA-N 316.166 -0.549 50 20 DBGD OB(O)c1ccc(CNC[C@@H](O)COc2ccccc2)cc1 585018312 UREXMWWWGDFWHL-OAHLLOKOSA-N 301.151 -0.104 50 20 DBGD OB(O)c1ccc(CNC[C@@H](O)COc2cccc(F)c2)o1 585019039 ZTTXLOITSUMREM-LLVKDONJSA-N 309.102 -0.372 50 20 DBGD O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](B(O)O)C1 585065839 KRVCEPGRXQGNTC-JTQLQIEISA-N 301.111 -0.528 50 20 DBGD C=CCNC(=S)NNC(=O)CNC(=O)c1ccc(C#N)cc1 726986914 NVWSVKQTOALECU-UHFFFAOYSA-N 317.374 -0.031 50 20 DBGD CCOCC(=O)NNC(=O)Nc1nc2nc(C)cc(C)n2n1 731217572 FIXFNXGRPLPFNH-UHFFFAOYSA-N 307.314 -0.070 50 20 DBGD Cn1ccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1 737613947 UOTYOIXUOTUIMT-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD Cc1cnn(CC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 740922412 ZKHCEFVYUDFVRZ-CHWSQXEVSA-N 323.397 -0.162 50 20 DBGD CCOc1ncccc1C(=O)NNC(=O)C(=O)N1CCCC1 748247872 WTTIFXIZSXNWQD-UHFFFAOYSA-N 306.322 -0.136 50 20 DBGD CC(C)OC(=O)CCNC(=O)NNC(=O)C(=O)N1CCCC1 748444134 HVMZVLRMACGXGM-UHFFFAOYSA-N 314.342 -0.719 50 20 DBGD O=C(CO)NNC(=O)c1ccc(=O)n(-c2ccccc2F)n1 753444513 NBXWHUILQCSZDI-UHFFFAOYSA-N 306.253 -0.875 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Nc1cccc(C(N)=O)n1 757738015 GMUTYJDQDZLFNC-UHFFFAOYSA-N 302.294 -0.015 50 20 DBGD CC(C)n1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 758035671 NALVNGJOSRHKRX-MRVPVSSYSA-N 317.371 -0.837 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 768413187 NUCYGYGFRVIVDA-UHFFFAOYSA-N 318.330 -0.221 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)[C@H](O)C2)n1 768767170 CMCAQSCRDYPNQW-WCBMZHEXSA-N 312.395 -0.546 50 20 DBGD Cc1cccc(F)c1NNC(=O)CN1C(=O)C(=O)N(C)C1=O 771696854 BXPUIEZQKPEMQO-UHFFFAOYSA-N 308.269 -0.002 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)C1CC1)N1CCCS1(=O)=O 772630221 HJRNDZXPSHAVMN-JTQLQIEISA-N 303.384 -0.396 50 20 DBGD C[C@@H](NS(=O)(=O)CBr)[C@@H]1CN(C)CCO1 782475407 ZVOUOUDWHVOQCX-SFYZADRCSA-N 301.206 -0.023 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN1CCN(C)CC1 807369337 SKGJKVHKDGYFQA-UHFFFAOYSA-N 316.402 -0.830 50 20 DBGD COC(=O)CC1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 819808454 WCLFQKJTTBYFAG-GVHYBUMESA-N 305.356 -0.631 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O 840360550 NPRXXYBKCSFMCC-JTQLQIEISA-N 314.386 -0.414 50 20 DBGD CCc1sc(C(=O)NNC(=O)CNC(CO)CO)cc1C 846941278 RANIGOUUSVUBIX-UHFFFAOYSA-N 315.395 -0.677 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=S)NCC1CCC1 855092148 RZHVYYDRTMQFDN-UHFFFAOYSA-N 323.440 -0.657 50 20 DBGD CCOC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[nH]c1C 862458563 BNYPIYLMEUPMIK-SECBINFHSA-N 322.321 -0.461 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N(C)CC(F)(F)F 862459148 NSQVYYUNWKGYQT-BQBZGAKWSA-N 310.276 -0.705 50 20 DBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 863413807 ZOINITUPUOPYMQ-QMMMGPOBSA-N 317.392 -0.047 50 20 DBGD CCc1nc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)s1 863460604 DWVMOZQXEUTPKK-UHFFFAOYSA-N 305.381 -0.180 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NN(C)C(=O)OC)C1 908113798 YLZRJYDRPJFSAM-SNVBAGLBSA-N 301.343 -0.009 50 20 DBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913730376 SWMZFBFIHBWJLP-LLVKDONJSA-N 310.354 -0.843 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)[C@@H]1CSCC(=O)N1 931349094 TXXOOSPEBZAKLA-NSHDSACASA-N 307.375 -0.002 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1nc2ncccn2n1 1116663361 LTQHFFDDDJNBOJ-MRVPVSSYSA-N 320.309 -0.844 50 20 DBGD CCOCC(=O)NNC(=O)NCCCCCS(C)(=O)=O 1116681095 PKNFRMNJCGMGLU-UHFFFAOYSA-N 309.388 -0.432 50 20 DBGD O=C(CCC(F)(F)F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1252172710 NPDMPPNTKJDOIO-ZCFIWIBFSA-N 302.274 -0.089 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@]12CCC(=O)N1CCS2 1318271755 PDFJAGTXXULJJJ-LLVKDONJSA-N 302.425 -0.044 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC(=O)NC2CCCC2)cn1 1318921435 VIEZEQMPGIZXIL-UHFFFAOYSA-N 308.342 -0.577 50 20 DBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)c(F)c1 1320357700 FQXWBVHNSYVADV-UHFFFAOYSA-N 322.296 -0.189 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)N(C)C)cc1 1320448598 UGXONASWYPIXDF-UHFFFAOYSA-N 314.367 -0.560 50 20 DBGD CCN1CCO[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)C1 1324133136 IQWPLNJOTBCUGQ-SECBINFHSA-N 321.341 -0.767 50 20 DBGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C 1328220536 MKPBZMBUZOUJNW-ZJUUUORDSA-N 323.353 -0.452 50 20 DBGD CNC(=S)N(C)NC(=O)c1coc(S(=O)(=O)NC)c1 1328415642 CIODHYBQMMASDT-UHFFFAOYSA-N 306.369 -0.731 50 20 DBGD CN(C)C(=O)N1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1329760324 WFBNFCVMXLQQSF-UHFFFAOYSA-N 309.330 -0.937 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2ncncc2C1)C1CCNCC1 1580736187 NOJXNCLLOPOQKD-NSHDSACASA-N 303.366 -0.272 50 20 DBGD COCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1591430988 UEXFSKPDRMYSIM-UHFFFAOYSA-N 305.298 -0.543 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1591703229 HYVVJPVBKMJXJD-CYBMUJFWSA-N 318.326 -0.443 50 20 DBGD CO[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H](C(=O)O)C1 1599121916 YJVXBGSUURPWOM-NEPJUHHUSA-N 307.111 -0.929 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2csc(C(=O)O)n2)ccc1=O 1600931725 CRQFWDKQXFUKJV-UHFFFAOYSA-N 322.302 -0.385 50 20 DBGD O=C(/C=C/c1ccc(C(=O)O)o1)NNC(=O)CN1CCCC1=O 1608285809 AONKLZORUCZLLG-GQCTYLIASA-N 321.289 -0.239 50 20 DBGD O=C(NN=Cc1ccoc1C(=O)O)N[C@H]1CCS(=O)(=O)C1 1608476878 ATAVOYNTJIJVMI-QMMMGPOBSA-N 315.307 -0.202 50 20 DBGD O=C(O)c1ccccc1S(=O)(=O)NNC(=O)[C@H]1CCCO1 1608949137 BBNKOCOIVUOVQG-SECBINFHSA-N 314.319 -0.127 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)[C@@H]2CCOC2)C1 1846688376 HTRCTAUIQBIURD-MNOVXSKESA-N 316.785 -0.174 50 20 DBGD O=C([C@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCO1 1847558959 QUNXCRUGVFAQGJ-NNYUYHANSA-N 316.785 -0.033 50 20 DBGD CCCNC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)s1 49279225 IZDRXSFYCRBLQN-UHFFFAOYSA-N 320.396 -0.322 50 20 DBGD O=C(NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 263909954 KDBMARNPAXZXQL-JTQLQIEISA-N 310.335 -0.726 50 20 DBGD COC(=O)N(C)CCCC(=O)NNC(=O)C(=O)N1CCCC1 264172098 JZARCSJBNAVJMI-UHFFFAOYSA-N 314.342 -0.765 50 20 DBGD COc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 274031874 CWLFIDWLGJWVIY-UHFFFAOYSA-N 312.301 -0.518 50 20 DBGD COC(=O)COCC(=O)NNC(=O)COc1ccccc1O 287267724 CJSMJQCGJXMPQG-UHFFFAOYSA-N 312.278 -0.892 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)c1ccncc1 298211580 UXKMKBPWTNPPND-UHFFFAOYSA-N 306.322 -0.518 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CN2CCCN1CC2 362402159 ORYVMEGDXOIPTG-ZDUSSCGKSA-N 318.377 -0.154 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)c1c[nH]nc1[C@@H]1CCOC1 584913649 HQPIEKROMJFTKW-SECBINFHSA-N 301.111 -0.154 50 20 DBGD CCCC(=O)N1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584937882 YPCICXMSTBVNEH-UHFFFAOYSA-N 318.182 -0.113 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)[C@H](C)N1CCOCC1 584941623 MFEWAXCOFFNFOW-RYUDHWBXSA-N 306.171 -0.795 50 20 DBGD C[C@@H]([C@@H](C)NC(=O)c1cc(B(O)O)ccc1F)n1cncn1 584942724 CWUYOXOBWMCBEC-BDAKNGLRSA-N 306.106 -0.524 50 20 DBGD COC[C@@H](C)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584947567 UUUPWOCFIDXJLI-GFCCVEGCSA-N 306.171 -0.841 50 20 DBGD C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc(B(O)O)ccc1F 584983571 PAYKSWFPQACGKZ-NSHDSACASA-N 324.161 -0.702 50 20 DBGD CC(C)N1C[C@H](CNC(=O)c2cccc(B(O)O)c2)CC1=O 584995750 RDJDOHXLJMJYDU-NSHDSACASA-N 304.155 -0.647 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=S)NCC1CCC1 727866618 QPRPYVDPOKFJSJ-UHFFFAOYSA-N 312.395 -0.179 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(N2CCCC2)nn1 731189219 VGSGMQUFBZSSQE-UHFFFAOYSA-N 320.353 -0.237 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H](C(=O)O)C2)cc1 738260140 BSAVOCDVSYXXRF-LBPRGKRZSA-N 321.333 -0.459 50 20 DBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)O1 756923451 ZZPVFKDNNXRCPP-OPRDCNLKSA-N 319.383 -0.539 50 20 DBGD CC(C)[C@](C)(O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 771093312 FFWMIBLKTBMJTI-AWEZNQCLSA-N 318.337 -0.170 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 780709553 GDARJGHCJYSKGO-SECBINFHSA-N 306.388 -0.507 50 20 DBGD COc1cncc(C(=O)NNC(=O)CNC(=O)c2ccco2)n1 790559833 DUXKFUVWVWCUNI-UHFFFAOYSA-N 319.277 -0.731 50 20 DBGD CC1(C)CC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 795526989 GXTADEMBRHACLL-VIFPVBQESA-N 303.384 -0.060 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 796601003 QMLWVKSTDCMDRL-UHFFFAOYSA-N 312.286 -0.616 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)N=c1cc[nH]cc1 802034875 JKVLQHVPRTXWHW-LLVKDONJSA-N 307.354 -0.376 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)C2CCC2)n1N 808054862 BUNOZAXVSHQHAA-UHFFFAOYSA-N 312.399 -0.016 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)COc2ccccc21 816769981 FUSDLUSKLFPNJJ-UHFFFAOYSA-N 302.294 -0.316 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)N1CCO[C@@H](C(=O)O)C1 819018725 CVKVIPDBOQEOAK-SSDOTTSWSA-N 314.323 -0.409 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 824183988 ALJZDSUCIPCMAV-SNVBAGLBSA-N 304.310 -0.297 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1nnnn1C1CC1 826614575 OXYANDCTHMRQSN-OYNCUSHFSA-N 323.357 -0.176 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nc(N(C)C)no1 827057508 GHWXMXQVDDEXGZ-YUMQZZPRSA-N 312.330 -0.609 50 20 DBGD CNC(=O)[C@]1(C)CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 827272909 DCMBRYSKPZAELF-ISTVAULSSA-N 312.370 -0.390 50 20 DBGD CC(=O)N1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[C@H](C)C1 827286648 AWGKJUFEYMJAIR-CKYFFXLPSA-N 312.370 -0.295 50 20 DBGD O=C(NCC[C@@]1(O)CCCOC1)NNC(=O)[C@H]1CCCCO1 845720697 HCXKHMMOKFBRJZ-RISCZKNCSA-N 315.370 -0.183 50 20 DBGD CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 852530351 APSTZORTSVPAKP-QMMMGPOBSA-N 304.347 -0.124 50 20 DBGD COc1ccc(COCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862452359 JYZJHEMJJLLTEK-GFCCVEGCSA-N 321.333 -0.362 50 20 DBGD CCOC(=O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 863870223 FSGFRSZNUKMPEH-JTQLQIEISA-N 323.129 -0.079 50 20 DBGD O=C(/C=C\CN1CCOCC1)NNC(=O)Cc1cccnc1 865167562 QLYJCRKEDXXWRT-RQOWECAXSA-N 304.350 -0.340 50 20 DBGD CN(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)CC(C)(C)C 873838491 FKGRPFXHNOSRSP-JTQLQIEISA-N 319.427 -0.454 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C)C[C@@H]1CO 879002049 QADPOKUWDDQMKH-VXGBXAGGSA-N 300.403 -0.823 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1 921028047 RLFISLZIMHZXFI-GHMZBOCLSA-N 303.359 -0.063 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCn1c(O)nc2ccccc21 1116227449 IBUWPCISNIIKNG-UHFFFAOYSA-N 321.293 -0.755 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1118126968 XNMLZEXWTJJJHL-WISYIIOYSA-N 315.370 -0.064 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1noc(C)n1 1261104402 QFXJZHZDUDTAOM-YUMQZZPRSA-N 315.330 -0.179 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1263729198 OLWLMLSBMBZNFS-WCQYABFASA-N 318.377 -0.156 50 20 DBGD O=C(CCc1ccccn1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1320613932 ZUHVVTOHQBCRLB-JTQLQIEISA-N 311.363 -0.404 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cn(C)c(C)n1 1322367208 HYKZJRZAYPRQKD-UHFFFAOYSA-N 305.360 -0.742 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc2ccncc12 1324362404 OJLKPGSZDNKVJR-UHFFFAOYSA-N 316.273 -0.506 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CSc1cccc[n+]1[O-] 1326382808 PUNLPYPFSQEWRK-ZJUUUORDSA-N 311.363 -0.016 50 20 DBGD CCOC[C@H]1CN(C(=O)NNC(=O)c2ncccn2)CCO1 1328800414 SKQRFPNMEUDXRD-SNVBAGLBSA-N 309.326 -0.432 50 20 DBGD C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)[C@@H]1CCC(=O)N1 1329076228 JJLALMHLYMZNLQ-DCAQKATOSA-N 317.411 -0.607 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc2n[nH]cc2c1 1329209500 YTLAAOQSZPFROR-UHFFFAOYSA-N 310.335 -0.703 50 20 DBGD NC(=O)CCCCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592727651 YZONDHCQJUOLBM-UHFFFAOYSA-N 304.314 -0.250 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cccn(CC(=O)O)c2=O)n[nH]1 1594280958 BJHYZBNWUOMOMH-UHFFFAOYSA-N 319.277 -0.961 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccnn2)CO1 1595006834 VWRZENNJFXMROC-RKDXNWHRSA-N 308.294 -0.493 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 15639390 LWLAWTOXJMCUDR-SNVBAGLBSA-N 314.338 -0.050 50 20 DBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)NC1CC1 143208141 HYSIBPGPEYAOHK-LURJTMIESA-N 311.371 -0.019 50 20 DBGD COC(=O)N(C)NC(=O)C1(C(=O)NN(C)C(=O)OC)CCC1 286414173 PZBBKDMDDXUQKI-UHFFFAOYSA-N 316.314 -0.385 50 20 DBGD C=C[C@](C)(O)CC(=O)NNC(=O)CNC(=O)c1cccnc1 290453059 ISTNVTQMKDNINQ-AWEZNQCLSA-N 306.322 -0.714 50 20 DBGD CC(C)[C@H](O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 291565751 SBUHTZLQVFVSIE-LBPRGKRZSA-N 321.381 -0.143 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1F)NNC(=O)C1CC1 298274008 LWHYRNHSOPOAFM-UHFFFAOYSA-N 315.326 -0.339 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CSCC(N)=O)cc1 298420059 GEQZCNPKQHKKFT-UHFFFAOYSA-N 311.363 -0.260 50 20 DBGD COC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 490578230 ALXNUCMIXGUFMU-UHFFFAOYSA-N 312.307 -0.776 50 20 DBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(C(=O)CO)CC1 490876108 JISILOFJZXNYRQ-LCYFTJDESA-N 315.329 -0.038 50 20 DBGD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc(B(O)O)ccc1F 584972189 PKBYPZROAHRROQ-VIFPVBQESA-N 320.129 -0.754 50 20 DBGD C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc(B(O)O)ccc1F 584972711 FFXYJCPPLGSJLF-FFVOIRBGSA-N 301.148 -0.656 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1 584999626 GKXKDYFELHLBAC-MGCOHNPYSA-N 322.145 -0.473 50 20 DBGD CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(B(O)O)o1 585016130 IHGHELIMWVXAFY-UHFFFAOYSA-N 317.154 -0.268 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NCCN2CCOCC2)c1 729041357 OUXSDZFXWXXQMU-UHFFFAOYSA-N 317.349 -0.166 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNC(=O)NC1CC1 737893657 DADIOKSUMMKPEM-UHFFFAOYSA-N 316.325 -0.229 50 20 DBGD CCOCCNC(=S)NNC(=O)C(=O)NC(CC)CC 740771800 BLMSSNBPDKNYPT-UHFFFAOYSA-N 304.416 -0.177 50 20 DBGD COC[C@@H](NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(N)=O 760078907 SQOKVIZSLCIGNG-RVFSUOIPSA-N 315.333 -0.271 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccnn1C(C)(C)C 764319580 OFKYPXGCPMYZGJ-UHFFFAOYSA-N 311.342 -0.240 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NN(C)C(N)=O 778415092 OSNGTRXKIBAUDU-VIFPVBQESA-N 306.388 -0.378 50 20 DBGD C[C@H](C(=O)NNC(=O)NCC(F)(F)F)N1CCN(C)CC1 798315227 CKWXRHRHXBJNFS-MRVPVSSYSA-N 311.308 -0.485 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)N=c1cc[nH]cc1 802027230 XXRILEJGISGVDX-UHFFFAOYSA-N 319.281 -0.230 50 20 DBGD O=C(CN1CCCC1=O)NN=C1CNC(=O)c2ccccc21 817322984 PVYBKMRKONKKHE-UHFFFAOYSA-N 300.318 -0.127 50 20 DBGD CCN(CCO)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 823834025 OUEIPIYNTXGQFF-SRVKXCTJSA-N 311.382 -0.105 50 20 DBGD CC(C)[C@H](NC(=O)O)C(=O)NNc1nc(O)c2cnn(C)c2n1 824137549 SVANZIPIYIJYBW-ZETCQYMHSA-N 323.313 -0.196 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 847421029 JORCAUJUSJJQAX-HTQZYQBOSA-N 324.362 -0.863 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(C(N)=O)o1 853930780 UXICBLXJTBKJFS-GRKOMRHMSA-N 323.305 -0.119 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CSCC(N)=O 854281726 JRMSXRXPNFZTQR-UHFFFAOYSA-N 308.429 -0.921 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2cccc(F)n2)nn1 856428146 PGYGKRGXHSYMMW-UHFFFAOYSA-N 308.273 -0.467 50 20 DBGD CC(C)C(=O)NNC(=O)CN1C[C@@](C)(CO)[C@@](C)(CO)C1 859831748 BGWRHTOQPOGXLA-OKILXGFUSA-N 301.387 -0.897 50 20 DBGD Cc1cccc(NNC(=O)CN(C)S(=O)(=O)N(C)C)n1 862520226 MRJPBTFBMFQTRK-UHFFFAOYSA-N 301.372 -0.429 50 20 DBGD CN1CCCC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1=O 913733843 XWLJBRPAWYDGTN-JTQLQIEISA-N 310.354 -0.985 50 20 DBGD O=C(NNC(=O)c1ccc(Cn2cccn2)o1)C(=O)NC1CC1 1115852565 XUSFVBYPIVBIGY-UHFFFAOYSA-N 317.305 -0.436 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCCc2c[nH]nc21 1319229570 JBMZWBKYCZUIHE-SECBINFHSA-N 306.326 -0.604 50 20 DBGD Cc1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)ncn1 1319611271 LVRZZVKSLRLWRP-LBPRGKRZSA-N 313.383 -0.334 50 20 DBGD CN(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(N)=O 1320004073 CEZHMADBOOQALU-UHFFFAOYSA-N 304.306 -0.009 50 20 DBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)Cc1cc[nH]n1 1320114267 VDUSFSIFDMEGON-UHFFFAOYSA-N 302.356 -0.687 50 20 DBGD CC(C)n1ncc2cc(NC(=O)C(=O)NNC(=O)CO)cnc21 1320357716 GEKLOUWTYCPREW-UHFFFAOYSA-N 320.309 -0.910 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCCS(C)(=O)=O 1320370548 OCTFFLJQCRSTQW-MRVPVSSYSA-N 308.356 -0.700 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C1(O)CCOCC1 1320505242 HOHGTDXQBSPMPG-UHFFFAOYSA-N 318.333 -0.434 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc(C(C)(C)C)nn1 1320727148 YXPKRODMYMMDGR-UHFFFAOYSA-N 322.369 -0.578 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)NC1CC1 1321080803 ARUHOKJHKDEYNQ-SNVBAGLBSA-N 322.365 -0.939 50 20 DBGD C[C@](O)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccco1 1328803241 AUHSGGUHVUKIBV-OQPBUACISA-N 310.310 -0.904 50 20 DBGD COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1329031153 DXOISXJGIKJECT-SNVBAGLBSA-N 320.305 -0.940 50 20 DBGD CN(C)Cc1ccsc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329529025 CWGYZFUGOTZMQZ-SECBINFHSA-N 310.379 -0.151 50 20 DBGD O=C(NNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)C1CC1 1330183188 DHEDCUTZEVFCFG-BQBZGAKWSA-N 314.285 -0.233 50 20 DBGD Cc1nn(C)c2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc12 1331803314 NWTQIVHBBVHORB-JTQLQIEISA-N 316.321 -0.684 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CN3CCCCC3=O)nc21 1334128405 KVUBFVSQNUBNRR-UHFFFAOYSA-N 319.325 -0.476 50 20 DBGD COC[C@@H]1COCCN1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1340266269 SGGXPUYCWSDSEP-GMTAPVOTSA-N 301.343 -0.501 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)CN1CCC(CO)CC1 1346798726 DAVDRSKHHOEXRW-UHFFFAOYSA-N 306.366 -0.524 50 20 DBGD O=C(NNc1ncc(Cl)cn1)c1cnn(C[C@H](O)CO)c1 1351277997 BZWGMNWCRAWSLU-VIFPVBQESA-N 312.717 -0.563 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)C#CC3CCNCC3)nc21 1580009378 RHNSEADWEWOUDY-UHFFFAOYSA-N 315.337 -0.485 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 1593909515 ZRGBMHZOXRVMPE-XCBNKYQSSA-N 314.269 -0.160 50 20 DBGD O=C(O)CCN(C(=O)c1cccc(B(O)O)c1)C1CCOCC1 1595055236 RQFMAIXYAYDLSV-UHFFFAOYSA-N 321.138 -0.538 50 20 DBGD Cn1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C(=O)O 1600966164 WXJUBFXOHGNVTE-SSDOTTSWSA-N 309.282 -0.845 50 20 DBGD O=C(NNC(=O)c1cccc(C(=O)O)n1)C(=O)N1CCCC1 1601554639 CUQWZUDCESIVKJ-UHFFFAOYSA-N 306.278 -0.837 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1609882334 VFNZQTKLYDZBHA-PKFCDNJMSA-N 313.354 -0.645 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ccccc2[N+](=O)[O-])c1=O 48136498 PUADFWNGYAOQGB-UHFFFAOYSA-N 319.277 -0.402 50 20 DBGD CC(C)CC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266284826 WVVJVBGGZFXRKF-PNZRWIHMSA-N 323.349 -0.658 50 20 DBGD Cn1cc(N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2=O)cn1 267527825 JHRUDFQIQJWURS-UHFFFAOYSA-N 322.369 -0.144 50 20 DBGD O=C(CC(=O)NNC(=O)NCC(F)(F)F)NCC(F)(F)F 281216654 LYFMQDSNBUTYJF-UHFFFAOYSA-N 324.181 -0.052 50 20 DBGD COC(=O)NNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 491312675 TWNPEEKYCFHKGE-UHFFFAOYSA-N 307.715 -0.012 50 20 DBGD COCCN1CCC(CNC(=O)c2ccc(B(O)O)cc2)CC1 584939150 FOAJGFKYCHSIEH-UHFFFAOYSA-N 320.198 -0.545 50 20 DBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)CC[S@@]1=O 584957405 HQXSAOJMWOJXEY-NRFANRHFSA-N 313.159 -0.511 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(O)(C(F)(F)F)CC1 584966898 CAQGWONSWAKVIG-UHFFFAOYSA-N 317.072 -0.104 50 20 DBGD CC(C)(CNC(=O)c1cccc(B(O)O)c1)C1(O)CCOCC1 585000665 NCRBBSZTYHZHIS-UHFFFAOYSA-N 321.182 -0.336 50 20 DBGD COCCCn1cc(C)c(NCc2ccccc2B(O)O)n1 585045207 DGUOJDHXURPQPI-UHFFFAOYSA-N 303.171 0.520 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C 736879071 OXUQQJXCWOVGAM-UHFFFAOYSA-N 311.327 -0.703 50 20 DBGD Cc1nonc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 737548040 POXWAMMMSJWQPR-UHFFFAOYSA-N 314.265 -0.367 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCCN1c1ncccn1 747367266 SLOREVIIRRXIFP-LLVKDONJSA-N 322.369 -0.188 50 20 DBGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)CO)cc1 756561291 AHBDIKILEGKXFW-UHFFFAOYSA-N 316.339 -0.407 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 757797618 YYIOQUBXMCKFDY-PWSUYJOCSA-N 323.397 -0.578 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)CC(F)(F)F)cn1 757873409 JKTWZAHCWFCLKX-UHFFFAOYSA-N 306.200 -0.023 50 20 DBGD CN1CCC(CNC(=S)NNC(=O)c2cnn(C)c2)CC1 760494147 SDQFDTCMIRTTFT-UHFFFAOYSA-N 310.427 -0.129 50 20 DBGD N#CC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCC1 764344871 KHQJKBWFLGIDLM-UHFFFAOYSA-N 301.306 -0.347 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)NC1CC1)N1CCCS1(=O)=O 772686471 DMAJQWDTUUKFRS-JTQLQIEISA-N 318.399 -0.461 50 20 DBGD CS[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H]1N(C)C 775999878 KDGDRNPYRQXZHK-WDEREUQCSA-N 300.428 -0.479 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCOC[C@@H]1OCCOC 777279883 VQZOCDURJFFXKI-QWRGUYRKSA-N 319.358 -0.826 50 20 DBGD CC[C@H](CO)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 779726231 ZDGCLVDGYWVUNU-SECBINFHSA-N 318.333 -0.287 50 20 DBGD Cc1c[nH]nc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 799832234 UIACGOHSVOWDNC-QWRGUYRKSA-N 309.370 -0.022 50 20 DBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 799865123 XGCPVJZZNOLEMS-JLIMGVALSA-N 304.368 -0.618 50 20 DBGD CC[S@](=O)CC(=O)OCC(=O)NNC(=O)c1cccs1 803479630 ZXZCREKLAXYJRG-FQEVSTJZSA-N 318.376 -0.179 50 20 DBGD C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O 824041198 ZEYFQJDSILFLHV-SSDOTTSWSA-N 310.339 -0.257 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n[nH]1 826259888 LBRRORUYBUKFFJ-UHFFFAOYSA-N 301.270 -0.699 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1COC(C)(C)O1 826884116 BNRRFOQKGYYJDG-LPEHRKFASA-N 301.343 -0.107 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 852497939 YBMXBTDNOLRQSG-MNOVXSKESA-N 310.398 -0.220 50 20 DBGD CN1CCN(CC(=O)NNC(=O)OCC(F)(F)F)CC1=O 856022661 KHVUJYHGKIGSMP-UHFFFAOYSA-N 312.248 -0.920 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1 856969557 JIDMUNCJPXTERH-SNVBAGLBSA-N 303.326 -0.024 50 20 DBGD CN1CC[C@]2(CCN(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C2)C1 858700056 DESYULKIFFJCDG-HZMBPMFUSA-N 309.370 -0.967 50 20 DBGD COC(=O)[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C[C@@H]1C 863885976 RWCBXLPEGXEQBF-GXFFZTMASA-N 305.139 -0.362 50 20 DBGD COCC(=O)NNC(=O)Nc1nn(C)cc1Br 879966898 ZLIWJQHXBFZBMU-UHFFFAOYSA-N 306.120 -0.018 50 20 DBGD CCCNC(=O)NNC(=O)CSCC(=O)N1CCOCC1 921042715 MSLPOAKCQKDHMQ-UHFFFAOYSA-N 318.399 -0.681 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NC[C@H]1COCO1 923858951 ORVOFSBNBZAGNP-NSHDSACASA-N 309.322 -0.059 50 20 DBGD CCN(CCO)NC(=O)CC1CCN(S(C)(=O)=O)CC1 1119103689 CWPCREXHYKHKJH-UHFFFAOYSA-N 307.416 -0.607 50 20 DBGD O=C(NNC(=O)c1ncc2n1CCCC2)C(=O)N1CCCC1 1119248502 KNYKRPQWNVZILH-UHFFFAOYSA-N 305.338 -0.397 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2C(=O)CNC2=O)cc1 1317705812 RFFLLGXHCFVPFA-UHFFFAOYSA-N 306.278 -0.992 50 20 DBGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1318697670 SYNSMHXEQYEGQQ-VIFPVBQESA-N 323.397 -0.112 50 20 DBGD O=C(C[C@H]1CCCCO1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319196737 FSAUSPDZKGXNMI-NXEZZACHSA-N 319.383 -0.537 50 20 DBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)Cc1cccnc1)CC2 1319409407 GSBCCAACFHLBHE-LBPRGKRZSA-N 314.349 -0.066 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nn(C)c2ccccc12 1325404186 FDJJAXKLXAWFRH-UHFFFAOYSA-N 305.294 -0.423 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cn(C)nc1C1CCC1 1331152330 LPYOPBAREZXAKZ-UHFFFAOYSA-N 307.354 -0.027 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1331691893 QUNJYETYJQCFRJ-NXEZZACHSA-N 310.354 -0.939 50 20 DBGD COc1nccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)n1 1336495975 FNWREEOTRLQAIP-SECBINFHSA-N 314.367 -0.409 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(S(C)(=O)=O)CC1 1339700465 ZNDJGXFMSFMQNP-SSDOTTSWSA-N 306.340 -0.947 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(OC)CCNCC1 1578071974 RVKHVXYKVKASPK-UHFFFAOYSA-N 317.386 -0.308 50 20 DBGD Cc1cc([N+](=O)[O-])cc(C(=O)NN(C)C(=O)N2CCNCC2)n1 1579642539 KFANXFXWZAHDQS-UHFFFAOYSA-N 322.325 -0.100 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccc(C(=O)O)cn1 1590938259 AMWFAOBHQWXDOG-VIFPVBQESA-N 310.310 -0.644 50 20 DBGD CC1(c2cc(NC(=O)C(=O)NNC(=O)C(=O)O)no2)CCCC1 1604595946 PIVDFHLWMUWYDU-UHFFFAOYSA-N 324.293 -0.323 50 20 DBGD CCn1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2cc(C)n[nH]2)n1 191879501 WIDRFBAPAIXEMZ-UHFFFAOYSA-N 307.270 -0.082 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NNC(=O)C(C)(C)O)C2=O 278036591 VFMJUNLOHWXHSX-UHFFFAOYSA-N 319.317 -0.491 50 20 DBGD COC[C@H](O)CNC(=O)NNC(=O)COCc1ccccc1 282948158 AUDCPWDXCKYLPC-GFCCVEGCSA-N 311.338 -0.459 50 20 DBGD COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCO2)c1 293397621 OBPYIZSQUJTKAE-NSHDSACASA-N 307.306 -0.040 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc21)C(=O)N1CCCC1 369292134 FQTQLWBFWGWWOG-NSHDSACASA-N 303.318 -0.068 50 20 DBGD NC(=O)CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584930614 OHJDMFFFECEBKE-UHFFFAOYSA-N 308.118 -0.767 50 20 DBGD CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584936479 JSRKJWNJJIRHON-LBPRGKRZSA-N 304.155 -0.645 50 20 DBGD CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584940102 PDGBAFYTQYUWED-IUCAKERBSA-N 310.134 -0.462 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](C)n1cncn1 584945030 VKHPDCTWAHTJQN-IUCAKERBSA-N 306.106 -0.524 50 20 DBGD CCN(CCNC(=O)c1ccc(B(O)O)cc1)CC(F)(F)F 584975382 BSWNMQGMNZUHKK-UHFFFAOYSA-N 318.104 -0.020 50 20 DBGD CC(C)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1nncn1C 584988963 WOCRPJKSRXKNIK-GFCCVEGCSA-N 320.133 -0.239 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(c2nccs2)CC1 584998903 BZZVQLKBEINVOK-UHFFFAOYSA-N 317.179 -0.215 50 20 DBGD CCN1CCN([C@H](C)CNCc2ccc(B(O)O)cc2)CC1 585016134 SCVLYNYRSWTJBP-CQSZACIVSA-N 305.231 -0.518 50 20 DBGD Cn1cc([C@@](C)(O)CNCc2ccc(B(O)O)cc2F)cn1 585024945 IBRQDBBDKCFIPU-AWEZNQCLSA-N 307.134 -0.764 50 20 DBGD OB(O)c1ccc(CNc2cnn(CCN3CCOCC3)c2)o1 585032624 XJCXAJMOWRLELJ-UHFFFAOYSA-N 320.158 -0.900 50 20 DBGD C[C@@H](CS(C)(=O)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 744399492 PCGBQKRZBDCAQZ-VIFPVBQESA-N 307.416 -0.455 50 20 DBGD Cn1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 747955662 RYCZBMKPYVUGQN-GFCCVEGCSA-N 300.384 -0.094 50 20 DBGD COc1ncccc1NC(=O)NNC(=O)C(=O)N1CCCC1 748325372 PERRMVVMEGHNMN-UHFFFAOYSA-N 307.310 -0.135 50 20 DBGD CCS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CO)cc1 753445086 UHSFQMTZNWRMNN-UHFFFAOYSA-N 314.363 -0.448 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc2c(c1)ncn2C 761259383 RXNOEPNPKCFPDB-VIFPVBQESA-N 323.378 -0.039 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)on1 763823268 DYTGAKXUGXOZQU-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD CC(C)n1cc2cc(NC(=O)C(=O)NNC(=O)CO)ccc2n1 764428104 BVRVJDOWANZGSZ-UHFFFAOYSA-N 319.321 -0.305 50 20 DBGD Cc1ccc(C(=O)NNS(=O)(=O)N2CCOCC2)c(O)c1 765056820 VJTFRFHAPJEROJ-UHFFFAOYSA-N 315.351 -0.488 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CS(C)(=O)=O 772040349 CQVQVMLYVNIQJM-MRVPVSSYSA-N 308.356 -0.844 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCN(C(=O)CC)C1 772215491 SSXPLZXISPTGSF-VHSXEESVSA-N 313.354 -0.266 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(=O)c1cnn(CC)c1 772221844 UKDIRMGVCFIWBK-QMMMGPOBSA-N 310.310 -0.425 50 20 DBGD COC(=O)C1(O)CCN(S(=O)(=O)CBr)CC1 782478349 BGGNQOPFDOQFFO-UHFFFAOYSA-N 316.173 -0.332 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCCOCCN(C)C)n1 793182604 LSBFBISPUBAPMW-UHFFFAOYSA-N 309.370 -0.088 50 20 DBGD CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NNC(=O)C1CCC1 798291411 JLSPYZXUBYUAHD-JTQLQIEISA-N 312.370 -0.660 50 20 DBGD COc1ccc(NC(=O)NNC(=O)Cn2ncn(C)c2=O)cc1 802061051 RBNGYRQJKAONID-UHFFFAOYSA-N 320.309 -0.557 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n1 807211272 MCQWQOXLBSHFND-UHFFFAOYSA-N 312.330 -0.509 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1C 815163902 SHMFIBFQYRVBPZ-UHFFFAOYSA-N 322.321 -0.805 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1=O 823801246 RBOCHVNVHPJSPT-SNVBAGLBSA-N 311.725 -0.042 50 20 DBGD COC[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 826164164 FKSCSYDMJBWZRS-MRVPVSSYSA-N 319.325 -0.154 50 20 DBGD Cc1onc(CC(=O)NNC(=O)c2ccc[nH]2)c1-c1nn[nH]n1 826348340 HYZVLNFHCQYMCR-UHFFFAOYSA-N 316.281 -0.505 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1COCCN1CC(F)(F)F 830696587 HLFPJGAXWFJFNU-SSDOTTSWSA-N 313.276 -0.832 50 20 DBGD COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858250808 HFGAHKSLHGPLDJ-RKDXNWHRSA-N 300.359 -0.201 50 20 DBGD CO[C@]1(C)C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1(C)C 858264624 CGDHGCJFYZVCKV-UINNMSKDSA-N 312.370 -0.201 50 20 DBGD COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cccc(B(O)O)c1 863879270 PQQWEAMQTYHWAI-SECBINFHSA-N 319.044 -0.410 50 20 DBGD CC[C@](COC)(NC(=O)c1ccc(B(O)O)cc1)C(=O)OC 863886394 YJIKNJWUONKPKC-CQSZACIVSA-N 309.127 -0.936 50 20 DBGD Cc1nn(C)c(C)c1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920385231 WSBXMSDZNATUHN-SNVBAGLBSA-N 313.383 -0.143 50 20 DBGD CN1CC[C@@H]1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1122108680 MZHJMOBZIWANPO-MFKMUULPSA-N 320.349 -0.139 50 20 DBGD CNC(=O)NNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 1318104800 BVEKKXWCMHVTOA-UHFFFAOYSA-N 311.323 -0.688 50 20 DBGD CCCn1c(CO)nnc1SCC(=O)NNC(=O)C1CC1 1319472757 VPMWHHNZYVEUIZ-UHFFFAOYSA-N 313.383 -0.170 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1C 1320232032 IURYTBOABMVJCJ-UHFFFAOYSA-N 323.305 -0.486 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccnn1-c1cc(C)ccn1 1321127950 NFNOKBQXJXKCMD-UHFFFAOYSA-N 318.293 -0.099 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 1323435224 XEIZJLAPBARXJI-QWRGUYRKSA-N 314.386 -0.142 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)NCC(F)(F)F 1329700346 KVMXVIOOOUBLGX-SSDOTTSWSA-N 318.060 -0.837 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1 1338003597 DIXQKINKAACKOE-UHFFFAOYSA-N 308.294 -0.570 50 20 DBGD N#Cc1cncc(S(=O)(=O)NNC(=O)c2ccccn2)c1 1347383844 OGFQEOHUZKNIJA-UHFFFAOYSA-N 303.303 -0.028 50 20 DBGD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@@H](B(O)O)C1 1593465457 AWVXCXUWOKUZPG-ZCFIWIBFSA-N 305.063 -0.777 50 20 DBGD O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)[C@H]1CCC(=O)N1 1601355966 CCDCKJXLRPWOGJ-SNVBAGLBSA-N 305.290 -0.647 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)C(=O)O 1603183775 FIFLPGKUDLPPPH-ZETCQYMHSA-N 309.282 -0.929 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1603322921 QHWNYCRZVRAYMP-VIFPVBQESA-N 313.354 -0.107 50 20 DBGD O=C(O)CC1(C(=O)NNC(=O)[C@H]2CCCO2)CCOCC1 1606072035 XSYRCLQBCHJMSQ-SECBINFHSA-N 300.311 -0.416 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1OC 1610140605 CCUGHGSXHQQGSQ-UHFFFAOYSA-N 303.296 -0.484 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)[C@@H]2CCOC2)C1 1846688375 HTRCTAUIQBIURD-GHMZBOCLSA-N 316.785 -0.174 50 20 DBGD NC(=O)C(=O)NN=C1C(=O)Nc2cccc(Br)c21 17645872 RXSOTOXSUDLCMW-UHFFFAOYSA-N 311.095 -0.293 50 20 DBGD CN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCCO3)cc2C1=O 32260663 SDLIMHLVTALJAB-NSHDSACASA-N 317.301 -0.148 50 20 DBGD Cc1cc(NNC(=O)C(C)(C)NS(C)(=O)=O)nc(C)n1 266514429 YCQQYKIKCRXAGD-UHFFFAOYSA-N 301.372 -0.136 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)c2ccccc21)C(=O)NC1CC1 276462090 ODBXSJBGNMYDOK-LLVKDONJSA-N 301.302 -0.217 50 20 DBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C 276847282 GTKVZISSYVQEIF-LLVKDONJSA-N 324.385 -0.303 50 20 DBGD O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584930633 OOCABCBBSVHORM-ZDUSSCGKSA-N 302.139 -0.750 50 20 DBGD CCCNC(=O)CN(CCC)C(=O)c1cccc(B(O)O)c1 584932303 JNCZPPZRDHJYAK-UHFFFAOYSA-N 306.171 -0.255 50 20 DBGD Cc1nnc(CNC(=O)c2ccc(B(O)O)c(F)c2)n1C1CC1 584971665 WWSOVUGQSVVQFF-UHFFFAOYSA-N 318.117 -0.330 50 20 DBGD C[C@@H]1CC[S@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584983053 OUXHEIAXOOZPKY-BTKVJGODSA-N 313.159 -0.511 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N1CCCCC1 584985872 QXEBDRPZUZWPBK-LLVKDONJSA-N 304.155 -0.503 50 20 DBGD O=C(NCB(O)O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 585059751 AHGSTACBMDSDTK-LBPRGKRZSA-N 320.154 -0.568 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=S)Nc1ccccc1 728449321 IWTFZZSTWKFXSA-QMMMGPOBSA-N 316.408 -0.058 50 20 DBGD CCOCC(=O)NNC(=O)NCCOc1ncccc1F 747451004 XSKMYRYHPXMLKK-UHFFFAOYSA-N 300.290 -0.034 50 20 DBGD CO[C@@H]1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 752320489 DEKOSQAUZNWXFK-SNVBAGLBSA-N 312.395 -0.138 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1nc2ccccc2n1C 755697734 GXMDPSVCXZDLFY-VIFPVBQESA-N 323.378 -0.039 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)NNC(=O)C1CC1 763260735 MHVZMGUYCQUYKD-UHFFFAOYSA-N 314.685 -0.033 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 764295765 QOESXCUGIWNLJP-UHFFFAOYSA-N 310.266 -0.364 50 20 DBGD CC(C)(O)C(=O)NNC(=O)COc1ccc2c(c1)CCC(=O)N2 768260864 XZMPPSNJTBDKHZ-UHFFFAOYSA-N 321.333 -0.132 50 20 DBGD O=C(NCCn1cc([N+](=O)[O-])cn1)NNC(=O)c1ccc[nH]1 769227473 IKOPTKPJIOYZEU-UHFFFAOYSA-N 307.270 -0.236 50 20 DBGD CN(NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C(N)=O 770436322 FDKAHWUTQPGQBU-SNVBAGLBSA-N 304.310 -0.852 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(O)CCSCC1 772230011 FXPLYVGHZWBJSY-MRVPVSSYSA-N 304.368 -0.266 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnn(CC2CC2)c1 784915687 GAWBQJYXTGJBLH-UHFFFAOYSA-N 308.342 -0.076 50 20 DBGD CCN(C)C(=O)[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 788890161 MGAXSESWXJSPOY-BXKDBHETSA-N 320.415 -0.766 50 20 DBGD O=C(CCN1CCCCCC1)NN=C1C(=O)NC(=O)NC1=O 814215990 YCGBZQRVPVNPPI-UHFFFAOYSA-N 309.326 -0.909 50 20 DBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 823987409 HVRARNYFSHQFRA-XYNYFCMSSA-N 307.350 -0.863 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C[C@@H]1CCC(=O)N1 825274818 YLIQCGYIURNFIU-QMMMGPOBSA-N 324.362 -0.706 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCN1C=O 854190801 JXIMZUNBWFNLOR-LLVKDONJSA-N 321.333 -0.158 50 20 DBGD Cc1csc(C(=O)NNC(=O)CCn2ncn(C)c2=O)c1 862479760 AIRCQTSVAGOLTK-UHFFFAOYSA-N 309.351 -0.197 50 20 DBGD C/C=C/C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCC 863879480 UFEAWQGMERNARE-LQPUYASZSA-N 305.139 -0.006 50 20 DBGD O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(B(O)O)ccc1F 865605730 YTCFVMQGYKGFQF-LBPRGKRZSA-N 306.146 -0.280 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1cccc(F)c1F 872382760 DRYGPJXUGGJYJV-UHFFFAOYSA-N 324.305 -0.063 50 20 DBGD COC(=O)[C@@H]1CC(F)(F)CN1CC(=O)NNC(=O)C1CC1 880332785 NCCKXJIDTGYDFA-QMMMGPOBSA-N 305.281 -0.574 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCc2cncn2C1 913732874 LZMCBTLEKJTYCT-SNVBAGLBSA-N 305.338 -0.785 50 20 DBGD CC(C)C(=O)NNC(=O)CCNS(=O)(=O)c1cccnc1 915189307 NEOQGVCZPRVISZ-UHFFFAOYSA-N 314.367 -0.447 50 20 DBGD O=C(NCCOCC(F)(F)F)NNC(=O)C(=O)NC1CC1 916328360 STVMACFOULZWNX-UHFFFAOYSA-N 312.248 -0.826 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)c(C)o1 918552322 PZQWMXNZNUUZLJ-UHFFFAOYSA-N 308.254 -0.143 50 20 DBGD O=C(NNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)[C@H]1CCS(=O)(=O)C1 929452557 GEYYQWZMXSZHME-IWTNGPMKSA-N 312.391 -0.139 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccnc1 1116600013 MVLZMYMBBBYSOL-VIFPVBQESA-N 310.310 -0.781 50 20 DBGD C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)n1cncn1 1116751337 GXPFLUIPTUKQPB-VHSXEESVSA-N 301.372 -0.669 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc2c(c1)OCCO2 1318875777 BZFSVIGYMTVZKW-UHFFFAOYSA-N 323.305 -0.496 50 20 DBGD NC(=O)Cn1cc(C(=O)NNc2cc(F)c(F)c(F)c2)nn1 1319371407 PBSVKYOOBVKPNR-UHFFFAOYSA-N 314.227 -0.062 50 20 DBGD O=C(NNC(=O)c1cnc2[nH]cnc2c1)C(=O)N1CCCC1 1319701493 NTBKOYYYHIYZIU-UHFFFAOYSA-N 302.294 -0.659 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC)c1C 1320346498 BPPXOALTKSYCCD-UHFFFAOYSA-N 306.322 -0.149 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 1323927187 KSACNXFTEUFIEV-UHFFFAOYSA-N 303.282 -0.842 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 1324146514 WCCNZKLRWWHOTL-MRVPVSSYSA-N 308.319 -0.851 50 20 DBGD Cn1cnc2c(C(=O)NNC(=O)C(=O)N3CCCC3)ccnc21 1324738882 WJHBFTFGAFNCPK-UHFFFAOYSA-N 316.321 -0.648 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)o1 1327779342 ZBWIKAWTTVYRLW-MRVPVSSYSA-N 301.324 -0.513 50 20 DBGD O=C(NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1cc[nH]n1 1328777790 HUIHHGSDFHDSEE-QMMMGPOBSA-N 312.351 -0.614 50 20 DBGD Cn1nc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)C1CC1 1350512467 ATFDFVGPGDKUAU-UHFFFAOYSA-N 319.243 -0.065 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)N1 1351354467 XXVVMJYZXYRZGP-GMTAPVOTSA-N 310.354 -0.636 50 20 DBGD CCOCCOCCCC(=O)NNC(=O)[C@@H]1CCCNC1 1578117884 RGLGLMGBRRRTEX-GFCCVEGCSA-N 301.387 -0.033 50 20 DBGD CN(C)N(C(=O)[C@H](N)CCCC#N)[C@@H]1CCS(=O)(=O)C1 1578420138 AENPMLLULRFKLH-GHMZBOCLSA-N 302.400 -0.500 50 20 DBGD C=CCNC(=S)NNC(=O)c1cnccc1-c1nn[nH]n1 1588663611 MQYMIFRVCIWODG-UHFFFAOYSA-N 304.339 -0.443 50 20 DBGD CO[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1591471913 CVBSDRMTUFFTLW-NXEZZACHSA-N 302.294 -0.337 50 20 DBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)n2C)n1C 1592449760 XINMQPQYNJWYSC-UHFFFAOYSA-N 302.302 -0.601 50 20 DBGD O=C(O)CC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCC1 1594976575 XTFFKBWZSUQTPA-UHFFFAOYSA-N 320.305 -0.188 50 20 DBGD C[C@H](NC(=O)[C@H](C)NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1599895444 ROBQNOASETXLEY-OAOLPFJNSA-N 319.321 -0.579 50 20 DBGD O=C(N[C@@H](C[C@@H]1CCCOC1)C(=O)O)c1ccc(B(O)O)cc1 1601411436 QITYXHBZUVNMJF-GWCFXTLKSA-N 321.138 -0.634 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 1609300823 MNPYWISLVUZITK-UHFFFAOYSA-N 323.244 -0.669 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1=COCCO1 273116657 BTMYSFYESNINDB-MRVPVSSYSA-N 315.326 -0.065 50 20 DBGD CCn1nc(C(=O)NNC(=O)[C@@H](C)O)c2ccccc2c1=O 276158030 RXMCMADPGZTMEX-MRVPVSSYSA-N 304.306 -0.442 50 20 DBGD CCN(CC(=O)NNC(=O)Cc1nc(C)cs1)[C@@H](C)CO 293499499 UGZOIHWPYMARAE-JTQLQIEISA-N 314.411 -0.156 50 20 DBGD CN(C)CCNC(=S)NNC(=O)CNC(=O)OC(C)(C)C 494626410 ZUQFHXTUGQPEJF-UHFFFAOYSA-N 319.431 -0.432 50 20 DBGD O=C(NCCCCn1ccnc1)c1ccc(B(O)O)c(F)c1 584946603 VIPIMSNXKNCFBM-UHFFFAOYSA-N 305.118 -0.088 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N1CCCC[C@@H]1C 584946616 VVXZXASKRHCEIH-RYUDHWBXSA-N 318.182 -0.114 50 20 DBGD CN(C)[C@@]1(CNC(=O)c2cccc(B(O)O)c2)CCSC1 584957563 QKJMXBLMIHZZSY-CQSZACIVSA-N 308.212 -0.467 50 20 DBGD CN(C)C(=O)Cn1cc(NCc2ccc(B(O)O)cc2F)cn1 585033477 GVOOZMUNWLQHCA-UHFFFAOYSA-N 320.133 -0.598 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNCc2ccc(B(O)O)cc2F)O1 585033551 DWFBSQNSQJEGEF-TZMCWYRMSA-N 324.161 -0.769 50 20 DBGD CS(=O)(=O)C1(CNCc2cccc(B(O)O)c2)CCCC1 585041374 XUCBDVDUDSYBPJ-UHFFFAOYSA-N 311.212 -0.187 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2c1OCO2 728433664 DNKVUYRUXCFSSY-QMMMGPOBSA-N 313.335 -0.197 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CN1C(=O)C(=O)N(C)C1=O 733125900 SQHYTVYQGXTIMP-UHFFFAOYSA-N 318.289 -0.823 50 20 DBGD CC[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N(CC)CC 735996368 WRAHRWJYFGJEGX-QWRGUYRKSA-N 319.427 -0.311 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cc(C)n(CC(=O)NC)n1 757823040 OKKKMZHSYSYVTH-UHFFFAOYSA-N 312.330 -0.873 50 20 DBGD COc1cccc([C@H](O)C(=O)NNC(=O)N2CCOCC2)c1 764935704 SSDRZSRMYYPGER-LBPRGKRZSA-N 309.322 -0.198 50 20 DBGD COC(=O)C[C@]1(NS(=O)(=O)CBr)CCOC1 766560076 RGAOWZDSIWRMIU-MRVPVSSYSA-N 316.173 -0.020 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](F)c1ccccc1 769651605 UOZFUJAESGINEK-WPRPVWTQSA-N 317.342 -0.218 50 20 DBGD CCCS(=O)(=O)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC 772043173 KWEMMUMSIDDTCP-QMMMGPOBSA-N 308.356 -0.700 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cc(C)[nH]n2)nn1 772845286 WBMRPUPTUOTICP-UHFFFAOYSA-N 305.298 -0.363 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccccn1 777473137 WYCONCGJPCSVGT-RQSQLSILSA-N 316.317 -0.313 50 20 DBGD COCCCNC(=O)NNC(=O)CCc1nc(N(C)C)no1 779750945 YNEWFDVBVRLMKE-UHFFFAOYSA-N 314.346 -0.565 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@@H]3C[C@@]3(CO)C2)n1 782623061 YDGXYYCHSOXHNX-HZMBPMFUSA-N 324.406 -0.544 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)CC(F)(F)F 783297567 OBPGTHVPAARMFQ-UHFFFAOYSA-N 317.289 -0.130 50 20 DBGD COc1cc(C)nc(NNC(=O)C2=NN3CCCN=C3N2)n1 818127136 GQMCKGGHUDDPGM-UHFFFAOYSA-N 304.314 -0.785 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)CC2CC2)C1 819122447 BJSFYBSEMGASTG-LLVKDONJSA-N 317.411 -0.004 50 20 DBGD O=C(NN=Cc1ccccc1-c1nn[nH]n1)[C@@H]1COCCO1 826444563 LLJZVRAVJYILHJ-NSHDSACASA-N 302.294 -0.268 50 20 DBGD COc1cc(C)nc(NNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 827289436 SWBOGMQBEGEEPN-DTWKUNHWSA-N 324.341 -0.124 50 20 DBGD CN(CC(=O)NNc1cccc(C(=O)O)c1)S(C)(=O)=O 833692497 QLUCVBGBHSSJGN-UHFFFAOYSA-N 301.324 -0.281 50 20 DBGD CCCN1C[C@H](C(=O)NNC(=O)Cn2nc(C)cc2C)CC1=O 839470210 NDPNZLZKPKGPLO-GFCCVEGCSA-N 321.381 -0.094 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CCN1C(=O)CCNC1=S 847346577 YWYGGKDNSMMUTA-UHFFFAOYSA-N 300.384 -0.323 50 20 DBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1cccc(F)n1 856422644 AQEXPAVUNSUHHC-NSHDSACASA-N 307.329 -0.628 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c1 857158074 MBUBTMUJKFBFPV-GHMZBOCLSA-N 319.321 -0.688 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNC(=O)C(C)(C)C)CC2=O)cn1 858523689 XWJIKKCGODNPQE-SECBINFHSA-N 307.354 -0.034 50 20 DBGD Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862454338 STNWPFZLHLXDQB-JTQLQIEISA-N 306.278 -0.057 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(S(=O)(=O)NC)o1 1116896435 NYTWHYUYMIILBG-UHFFFAOYSA-N 318.380 -0.517 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNC(=O)N=c1cc[nH]cc1 1116947211 AILHAGUXEJECGY-UHFFFAOYSA-N 312.293 -0.663 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)NN2CCS(=O)(=O)CC2)cn1 1118946730 IZWKBAKLHCHTFS-IZZDOVSWSA-N 309.351 -0.911 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSCc1ccncc1 1261835091 INEYAJONBDCQOY-UHFFFAOYSA-N 317.392 -0.493 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)nn2)cc1 1317707846 SCABWSHZSTXRMZ-UHFFFAOYSA-N 313.273 -0.106 50 20 DBGD O=C1NC(=O)C2(CCC(C(=O)NNC(=O)c3ccc[nH]3)CC2)N1 1318339983 FDEYVMWQBXSBOR-UHFFFAOYSA-N 319.321 -0.456 50 20 DBGD CN(C)CC(=O)NNC(=O)C1CCN(c2cnccn2)CC1 1318521904 RRVXFLLFARILFP-UHFFFAOYSA-N 306.370 -0.598 50 20 DBGD Cn1nncc1C(=O)NNC(=O)c1nnc(O)c2ccccc12 1322584981 FIXBOZBGPAZWTJ-UHFFFAOYSA-N 313.277 -0.461 50 20 DBGD COCc1cc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)no1 1325846088 NYTLLFNIXPQRBE-MRVPVSSYSA-N 316.339 -0.359 50 20 DBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)n1 1329645833 ATGKIOOFMSDCMB-UHFFFAOYSA-N 320.305 -0.246 50 20 DBGD CSCc1cccnc1C(=O)NNC(=O)C(=O)NC1CC1 1329946263 WPEXVILWLDEHQP-UHFFFAOYSA-N 308.363 -0.016 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 1333146605 YRPKWLQBASRRCI-UHFFFAOYSA-N 317.392 -0.018 50 20 DBGD Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](B(O)O)C2)c1 1335433447 PZWILEKKMIDDBB-SECBINFHSA-N 312.156 -0.669 50 20 DBGD O=C(NNc1cccnn1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 1338498120 GIOIOFOOLWIJRT-NEPJUHHUSA-N 314.305 -0.110 50 20 DBGD O=C(NCCN/C(O)=C1/N=CC=CC1=O)NNC(=O)C1CCC1 1338909529 MTKDGVPJZYQERF-QBFSEMIESA-N 321.337 -0.357 50 20 DBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)C(C)C)c2C1 1338972724 LZFJBGHGPCQDOK-NSHDSACASA-N 321.381 -0.001 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccnc(OCCO)c1 1346855649 RALQFGIWDVYWAE-VIFPVBQESA-N 324.337 -0.415 50 20 DBGD O=C(NN=C1CCN(CCO)CC1)[C@H]1CN2CCC[C@H]2CO1 1549313923 JERMAYHWJYFBPM-UONOGXRCSA-N 310.398 -0.590 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@]2(C)C[C@H](O)CN2)cc1 1574156734 PPPXCTABRIUNSD-NHYWBVRUSA-N 307.350 -0.366 50 20 DBGD C[C@H](N)[C@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1576105997 ZBUZRKAGJCTAFH-UWVGGRQHSA-N 315.418 -0.005 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ncccn1 1580465030 ICLGJNMUFIYMAP-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1sccc1-c1nn[nH]n1 1590366198 ZWIQJASDSRRSCI-UHFFFAOYSA-N 309.311 -0.576 50 20 DBGD COCCN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 54354091 VZQZWTVZBKDNNT-UHFFFAOYSA-N 310.310 -0.066 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)CC2CCCC2)cn1 117820551 CSLUNXGDLZMEJR-UHFFFAOYSA-N 307.354 -0.122 50 20 DBGD CC(C)N1C(=O)C[C@H](NS(=O)(=O)CBr)C1=O 272799972 LCAAEWFOYUDDDN-LURJTMIESA-N 313.173 -0.206 50 20 DBGD O=C1CN(CCNC(=O)NNc2ccc(Cl)nn2)CCN1 273015348 SQDHEQSMXOMWKV-UHFFFAOYSA-N 313.749 -0.812 50 20 DBGD CC[S@@](=O)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 278807486 ZYBUGYGQJKQSMG-WSVYEEACSA-N 312.347 -0.258 50 20 DBGD O=C(O)c1cccc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)c1 292270236 GVOPVMVCWQKPJN-SNVBAGLBSA-N 314.319 -0.127 50 20 DBGD O=C1CC[C@H]2CN(C(=O)c3cc(B(O)O)ccc3F)CC[C@@H]2N1 585007992 RIIYUQZAVXUPBU-ZANVPECISA-N 320.129 -0.754 50 20 DBGD CCN1CCO[C@H](c2nc(-c3cccc(B(O)O)c3)no2)C1 585052489 NVDVBLODNRVYNR-LBPRGKRZSA-N 303.127 -0.190 50 20 DBGD Cc1c(C(=O)NCB(O)O)nnn1-c1cccc2cccnc12 585061744 ZMTCFTNKHITIHE-UHFFFAOYSA-N 311.110 -0.134 50 20 DBGD CN(C)C(=O)NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 746185034 NZLICTVGLWGHOJ-HNNXBMFYSA-N 306.366 -0.074 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCN1c1ncccn1 747371547 RBLLHUNOLPYJBR-NSHDSACASA-N 320.353 -0.482 50 20 DBGD COc1cc2cc(C(=O)NNC(=O)CO)[nH]c2c(OC)c1OC 753451564 FRSUUAYVDHXAOI-UHFFFAOYSA-N 323.305 -0.053 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 764325022 ANAJFRYVINYHSB-UHFFFAOYSA-N 305.294 -0.315 50 20 DBGD CC(=O)NNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 765186668 CPHBTPTVSUPFCW-UHFFFAOYSA-N 300.340 -0.092 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCN1CCOC(C)(C)C1 789330332 CSDROUDIWKGTPN-GFCCVEGCSA-N 314.430 -0.025 50 20 DBGD O=C(NC[C@@H]1CCCS1(=O)=O)NNc1nc2ccccn2n1 790428046 APYFRAFORHMEHW-VIFPVBQESA-N 324.366 -0.067 50 20 DBGD CO[C@H](C(=O)NNC(=O)Cc1cccnc1)c1cnn(C)c1 798428836 SRAOEFMJHVIHDW-ZDUSSCGKSA-N 303.322 -0.107 50 20 DBGD O=C(NNc1ncncc1F)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 817078424 DNBRSBMXTDJGML-SSDOTTSWSA-N 305.273 -0.165 50 20 DBGD O=C(CN1CCCC1=O)NN=Cc1ccccc1-c1nn[nH]n1 826410199 GIBVZMPKJNKJNX-UHFFFAOYSA-N 313.321 -0.061 50 20 DBGD O=C(C[C@@H]1COCCN1)NNc1nc(-c2ccncc2)no1 828217769 MTSBOCJTXJCKLR-SNVBAGLBSA-N 304.310 -0.047 50 20 DBGD C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)CCl)CC1 829847678 KHJITEUNSGUCMK-SECBINFHSA-N 309.819 -0.203 50 20 DBGD CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCl)CC1 830889813 TWLOYQNFSUTWMW-JTQLQIEISA-N 309.819 -0.249 50 20 DBGD CCC[C@@H](C(=O)NNc1nc2ccccn2n1)S(N)(=O)=O 834351462 KSKUXRWBAQKRJD-QMMMGPOBSA-N 312.355 -0.370 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)C2(n3cnnn3)CC2)c1 854188686 INXPSSLAAAVONV-UHFFFAOYSA-N 316.321 -0.303 50 20 DBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)CC1CC1 854666180 PLDHKMZQEDQEND-UHFFFAOYSA-N 312.351 -0.250 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 855006444 OEBVOKHEGBHVRA-BDAKNGLRSA-N 310.358 -0.457 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1ncc(Cl)cn1 857729182 MUWAKWIZIBBFID-IMTBSYHQSA-N 313.745 -0.151 50 20 DBGD C=CC(=O)N(C)CC(=O)NN(C)C(=S)NCCCOC 858163710 INPFXLNFRYMMEI-UHFFFAOYSA-N 302.400 -0.495 50 20 DBGD C[C@H](NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(F)(F)F 862314330 ZQCMLLLXSXPYOV-IUCAKERBSA-N 310.320 -0.032 50 20 DBGD CCC1CCN(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 863412951 OPXRWJOUBZNYGR-JTQLQIEISA-N 318.399 -0.747 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN(C)C[C@H](C)O 910171404 VWDHLXXSAPIQFF-NWDGAFQWSA-N 321.443 -0.076 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 1118374650 VEPFPMYVUCKRLE-SSDOTTSWSA-N 317.323 -0.581 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1ccncc1 1123731262 CGNXDSNPDQDGGK-DGCLKSJQSA-N 303.366 -0.840 50 20 DBGD NC(=O)COc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1 1248447128 KTVLROZUEFAZRG-UHFFFAOYSA-N 304.306 -0.721 50 20 DBGD Cc1cc(C)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)[nH]1 1252956715 OZTWAWFEHDRZIR-VIFPVBQESA-N 314.367 -0.237 50 20 DBGD O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 1261829927 FPIKJYHNKMIJRO-GHMZBOCLSA-N 317.301 -0.286 50 20 DBGD Cc1cc(CC(=O)NNC(=S)NC2CCN(C)CC2)n[nH]1 1317990879 SSCDTNFKURCSHL-UHFFFAOYSA-N 310.427 -0.150 50 20 DBGD CC#CCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320279692 LWQSZLZWWXCGDV-JTQLQIEISA-N 301.368 -0.303 50 20 DBGD NC(=O)N1CCC[C@H](C(=O)NNc2nncc(N)c2Cl)C1 1322655258 KDCCYNORCSCNDA-LURJTMIESA-N 313.749 -0.054 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC3(CCOCC3)C2)N1 1328717986 GRLPHYPWDKUUMP-SNVBAGLBSA-N 310.354 -0.492 50 20 DBGD COC(=O)[C@H]1CC(F)(F)CN1CC(=O)NNC(=O)C(C)C 1348050907 DNVNCYOCZGPKJS-MRVPVSSYSA-N 307.297 -0.328 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1C[C@@]12CCNC2 1574300156 DTNXKNDWNUXBIG-LKFCYVNXSA-N 306.322 -0.844 50 20 DBGD CC(C)OC[C@H](N)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1575791154 SZKBDPNJQVRGKI-JTQLQIEISA-N 309.370 -0.198 50 20 DBGD C[C@@H](NC1CC1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1576238305 FATWJZLNMQUTDT-MRVPVSSYSA-N 300.359 -0.201 50 20 DBGD CN(C)N(C(=O)[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1CCS(=O)(=O)C1 1598257613 OQIZZNWDFLWMGE-AXFHLTTASA-N 318.395 -0.020 50 20 DBGD COCCN(C)NC(=O)COc1ccccc1-c1nn[nH]n1 1605094966 OBFPKRORLWYHLH-UHFFFAOYSA-N 306.326 -0.145 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCCO1 1606168578 JMLWHLKHNXBTRQ-MRVPVSSYSA-N 306.282 -0.292 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ncccn1 1606169333 TXGBENHEUHHDKQ-UHFFFAOYSA-N 314.265 -0.367 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ccncn2)C1 1843469312 QNPJMCKCNKVBBC-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CC2)o1 49150444 DIHBEQMWAGQRME-UHFFFAOYSA-N 302.312 -0.706 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-n2cnnn2)cc1 171660655 KEIYDMLICMKRRL-UHFFFAOYSA-N 312.293 -0.611 50 20 DBGD Cn1c(=NNC(=O)CN2C(=O)CNC2=O)sc2ccccc21 255132097 KLCUWNMLFLSVCP-UHFFFAOYSA-N 319.346 -0.277 50 20 DBGD Nc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1[N+](=O)[O-] 266665524 FLKLGAMULKDICT-JTQLQIEISA-N 310.266 -0.647 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1cccc(OC)n1 275881965 QCKNWQINNFLXCA-UHFFFAOYSA-N 303.344 -0.735 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(O)c1 278565857 ITONFDNRGPBLFY-SECBINFHSA-N 312.347 -0.104 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1ncncc1F 293930475 HOQYBKXDBWKHOS-CQSZACIVSA-N 321.312 -0.020 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Cl)c[nH]1 299231736 SKSFXPODAONZFY-RXMQYKEDSA-N 308.747 -0.633 50 20 DBGD C[C@H]1CC[S@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584982120 IOFPZGGTKYRRQF-FPVGNUTFSA-N 313.159 -0.511 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)N1CCOCC1 585024475 WGNGDPLZXWNYKZ-VXGBXAGGSA-N 310.178 -0.296 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](B(O)O)C1 585066899 SQIKQQGBMWCJTR-IUCAKERBSA-N 306.193 -0.974 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 731595014 RXXSSTZPCOMENO-UHFFFAOYSA-N 311.319 -0.464 50 20 DBGD CN(C)C(=O)NNC(=O)c1sccc1S(=O)(=O)N(C)C 732063813 IHWZECPCOQCEQL-UHFFFAOYSA-N 320.396 -0.086 50 20 DBGD COCCN(CCO)CC(=O)NNC(=O)c1ccc(C)cc1 738324946 XREYBSHJJQXODA-UHFFFAOYSA-N 309.366 -0.303 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C 740851725 SCNJVHZEUIJTBN-NSHDSACASA-N 314.386 -0.401 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccncc1F 764344235 VNWHZSAYFCXUCI-UHFFFAOYSA-N 317.280 -0.193 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)CC[C@H]2C1 766268658 FRNYCLQIQPKPQE-NEPJUHHUSA-N 310.398 -0.125 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)CN(C)C)c1 772443283 SNRGEWURCXVUDR-UHFFFAOYSA-N 322.365 -0.937 50 20 DBGD CC(=O)[C@@H]1CC(C(=O)NNC(=O)CO)=NN1c1ccccc1 777781778 GHEDHOPPMPYDDG-LBPRGKRZSA-N 304.306 -0.650 50 20 DBGD Cc1cc[nH]c1C(=O)NNC(=O)CNC(=O)c1cccnc1 798111483 HAQSILQGADXZTJ-UHFFFAOYSA-N 301.306 -0.091 50 20 DBGD C[C@@H]1CCNC(=O)[C@@H]1NCC(=O)NNC(=O)c1cccs1 799346217 ZDYPYCOCIQFFHV-LDYMZIIASA-N 310.379 -0.377 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)Nc1ccccc1 801986982 LURMSWSBWVYACT-UHFFFAOYSA-N 307.310 -0.908 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2cccc(F)n2)C1=O 804771165 JQYMXMOBXMJXAH-UHFFFAOYSA-N 321.268 -0.359 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(F)ncc1F 807970634 QNGPZCITDCWZDH-ZCFIWIBFSA-N 306.294 -0.252 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843642769 GRKMRVMQRPQVLX-VHSXEESVSA-N 306.384 -0.370 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)c1cnn(C)c1)CC2 845553996 CCNVOLNKFJWHJJ-SNVBAGLBSA-N 302.338 -0.051 50 20 DBGD CC(C)CCC(=O)NNC(=O)NCc1nc(O)cc(CN)n1 851681091 MCCCQBKDHCLUFY-UHFFFAOYSA-N 310.358 -0.093 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCNC2=O)c1 854191238 ADTWORUCSDZJBD-LLVKDONJSA-N 305.334 -0.034 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CC1)c1nnc(O)c2ccccc12 854204040 VZQQYICXUSPSIU-LLVKDONJSA-N 302.290 -0.133 50 20 DBGD Cc1nnc(S)n1CCNC(=O)c1cc(B(O)O)ccc1F 863873471 FZJZPPFKLSOQOM-UHFFFAOYSA-N 324.146 -0.876 50 20 DBGD COC(=O)[C@@H]1CSCCN1CC(=O)NNC(=O)C(C)(C)C 887075411 DMUJYKYVWMBELR-VIFPVBQESA-N 317.411 -0.230 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccccc1Cl 919679835 JVWJJVDWPVBNJT-UHFFFAOYSA-N 320.754 -0.089 50 20 DBGD CCOCCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 927534833 RRJNSFYSGFPCMW-WDEREUQCSA-N 303.359 -0.205 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccn(CC(F)F)n1 1256219715 LOYDALMNGDRDPB-UHFFFAOYSA-N 303.269 -0.566 50 20 DBGD O=C(CCc1ccccc1O)NNC(=O)CN1C(=O)CNC1=O 1318300763 ZDAQORWLIVFKMU-UHFFFAOYSA-N 320.305 -0.976 50 20 DBGD O=C(CC1(O)CCCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1318853736 SIUPOHTUZTVIFW-VIFPVBQESA-N 319.383 -0.801 50 20 DBGD CN1CCC[C@H](N2CCN(CC(=O)NNC(=O)C3CC3)CC2)C1 1319384354 IRLDDTPEWQOGMI-AWEZNQCLSA-N 323.441 -0.744 50 20 DBGD CN1CCc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc21 1320358342 QZBVFIIEHGTLER-UHFFFAOYSA-N 306.322 -0.853 50 20 DBGD Cn1cc(C(=O)CCC(=O)NNc2nccn(C)c2=O)cn1 1321548928 WKOHVKQEHPUBNG-UHFFFAOYSA-N 304.310 -0.380 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccc1C)C(N)=O 1322023353 VPRYEYHVFXSKEW-NSHDSACASA-N 306.322 -0.864 50 20 DBGD Cn1nnc2cc(NC(=O)C(=O)NNC(=O)C3CCC3)ccc21 1326077332 LQAHWGUVTGLUTH-UHFFFAOYSA-N 316.321 -0.146 50 20 DBGD Nc1ncc2c(n1)CCCC2=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1326234577 OUEKSDQCRDKMGL-MRVPVSSYSA-N 323.378 -0.350 50 20 DBGD O=C(NNC(=O)C1CCNCC1)Nc1ccnc(OCCO)c1 1327445777 XXJHBRUKIOSRNM-UHFFFAOYSA-N 323.353 -0.395 50 20 DBGD CO[C@H]1COCC[C@H]1CNC(=O)NNC(=O)C1CCOCC1 1331937489 GOZQAZBIMGIKJL-RYUDHWBXSA-N 315.370 -0.205 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)[C@@H]2CCCNC2)cn1 1578418762 HDWMOCIHNMDFAP-LLVKDONJSA-N 308.386 -0.795 50 20 DBGD O=C(NC[C@H]1CCC2(CNC2)O1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1580645849 MQISZURWAIBCKB-DDHJBXDOSA-N 324.381 -0.595 50 20 DBGD O=C(NNC(=O)c1cscc1-c1nn[nH]n1)c1cccnn1 1593159128 AIBGWLLEYYZSTF-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NNC(=O)C(=O)O)O2)CO1 1594287969 ZJRNKLMFABDBEA-LWINAJNOSA-N 301.299 -0.872 50 20 DBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C(=O)O)C1 1594407398 VIDMGOWJVAMEBG-PRHODGIISA-N 309.102 -0.169 50 20 DBGD O=C(O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)CBr 1601756727 UXDWCYXXWFPYAK-NTSWFWBYSA-N 302.146 -0.422 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)O)nc1 1604858151 ATVONHIWKZLBFS-ZETCQYMHSA-N 309.278 -0.118 50 20 DBGD Cn1cc(NC(=O)C(=O)NNc2cccc(C(=O)O)c2)nn1 1608116666 YKAYTNITGKERIY-UHFFFAOYSA-N 304.266 -0.405 50 20 DBGD O=C(Cc1cc(O)nc(S)n1)NN=Cc1cc(C(=O)O)no1 1608355843 AJXKPYISTLZUJE-UHFFFAOYSA-N 323.290 -0.150 50 20 DBGD O=C(NCCOCC(F)(F)C(F)F)NNC(=O)C(=O)O 1608447927 JNPGQEUBNRSURS-UHFFFAOYSA-N 305.184 -0.682 50 20 DBGD COCCCS(=O)(=O)/C(C#N)=C/c1cn(CC(=O)O)nn1 1777207104 RCWCETGUIWVRKC-BJMVGYQFSA-N 314.323 -0.322 50 20 DBGD CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1845168558 MKXZNASKVRLKJN-SECBINFHSA-N 316.789 -0.125 50 20 DBGD COc1cccc(C(=O)NNC(=O)C2=NN(C)C(=O)CC2)c1O 54144735 SUZOPDZLGLJBGC-UHFFFAOYSA-N 320.305 -0.230 50 20 DBGD CN(C)CC(=O)NNC(=O)CCCNC(=O)c1ccccc1 75653034 PJCGIYBKQDQWKA-UHFFFAOYSA-N 306.366 -0.094 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 113426389 HGYWHUKMESILFV-LLVKDONJSA-N 312.414 -0.020 50 20 DBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)c1ccccc1 132180150 KPPCGURKKDTFQW-UHFFFAOYSA-N 304.350 -0.107 50 20 DBGD CCN(CC)C(=O)CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 140128628 BFLYFUAXBIYWNR-LBPRGKRZSA-N 320.415 -0.764 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)CN1CCOCC1 163342014 WIVCTBXQBLHYHJ-LLVKDONJSA-N 309.370 -0.073 50 20 DBGD COc1cc(C)nc(NNC(=O)CCN2C(=O)CCC2=O)n1 266887176 DMOBGERSBPPIPA-UHFFFAOYSA-N 307.310 -0.224 50 20 DBGD CCN(CCO)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 267992203 KVHNXAFTPGVGPG-UHFFFAOYSA-N 310.310 -0.330 50 20 DBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NN(C)C(N)=O 271240725 BISVWHFPLUOADW-ZCFIWIBFSA-N 306.369 -0.543 50 20 DBGD C=CCNC(=S)NNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 281179654 JKSDAFMMNCZACH-CQSZACIVSA-N 324.406 -0.411 50 20 DBGD O=C(CSc1nnnn1C1CC1)NNC(=O)c1ccncc1 298177283 WJHOGYFIRSGZCZ-UHFFFAOYSA-N 319.350 -0.044 50 20 DBGD O=C1C[C@H](C(=O)Nc2cccc(B(O)O)c2)[C@@H]2CCCC[C@H]2N1 584912963 YGBBMWJFNDKIKR-MELADBBJSA-N 316.166 0.000 50 20 DBGD COCc1nc2n(n1)CCC[C@H]2NCc1ccc(B(O)O)o1 585030691 IDIQASFTUNOJJE-SNVBAGLBSA-N 306.131 -0.678 50 20 DBGD CN(C)C(=O)[C@@H]1C[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1 585051293 AVSHTQINHMWAFL-WDEREUQCSA-N 301.111 -0.392 50 20 DBGD CC(=O)N(C)CCCc1nc(-c2cccc(B(O)O)c2)no1 585054371 UBQZLYPXQNLUSC-UHFFFAOYSA-N 303.127 -0.173 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 732082461 GTLZHRKHCRQWSK-UHFFFAOYSA-N 307.270 -0.408 50 20 DBGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)O 738225328 GHMIRNMBDXUXRS-LURJTMIESA-N 305.287 -0.209 50 20 DBGD CN(C)c1nccc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 740107940 RDXSVKSOIFVANN-SECBINFHSA-N 304.354 -0.003 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(C(N)=O)c1 740851379 BYJHRSARHHFYNP-UHFFFAOYSA-N 320.349 -0.149 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCC2)cn1C 745979472 RWLVXKLNGWVYKK-UHFFFAOYSA-N 315.351 -0.079 50 20 DBGD Cn1cc(C[C@@H]2CCN(CC(=O)NNC(=O)C3CC3)C2)cn1 746678056 VRAHFAVYYBNCGD-NSHDSACASA-N 305.382 -0.158 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCCNC1=O 747439577 DRFBYQMMUQTMBT-LLVKDONJSA-N 305.338 -0.377 50 20 DBGD COc1ncnc(N)c1C=NNC(=O)CNC(=O)c1ccco1 747629513 AYRUNHKFUIEMLQ-UHFFFAOYSA-N 318.293 -0.460 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNc1nccn(C)c1=O 747946167 VQFSORUFDXPEST-SECBINFHSA-N 307.354 -0.082 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CC(C)(CO)CO 759169420 WQXANMQPTWBYCA-LLVKDONJSA-N 303.403 -0.509 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H]2CNC[C@@H]2C1 766859049 SNVSTDDIYVTNAQ-HUUCEWRRSA-N 316.405 -0.164 50 20 DBGD COc1cccc(C(=O)NCC(=O)NNC(=O)CN(C)C)c1 782853937 OOZYGNNFUVBIJI-UHFFFAOYSA-N 308.338 -0.866 50 20 DBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)[S@]1=O 796374294 BBEOGGMHGFZSTD-GYKIULCDSA-N 301.412 -0.225 50 20 DBGD CN1CCN(C(=O)NNC(=O)C(C)(C)N2CCOCC2)CC1 807383439 CBXHDVBZLKFSLP-UHFFFAOYSA-N 313.402 -0.915 50 20 DBGD COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NN(C)C(N)=O 826175050 RLDMHKCQRHDEIC-UHFFFAOYSA-N 321.297 -0.704 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1([S@@](C)=O)CC1 826711068 WIXYLJNIPIHFLZ-PKPDKRHSSA-N 303.384 -0.347 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 841375479 GQCGQSLSQRVRKT-PELKAZGASA-N 323.305 -0.282 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)NC[C@H]2CNCCO2)c1 842010153 DZWAJBNFAOGROU-CYBMUJFWSA-N 322.365 -0.307 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=S)NCC1CCC1 855090777 OUTOFNWRKAZBMJ-UHFFFAOYSA-N 302.400 -0.613 50 20 DBGD Cc1ccc2nc(C(=O)NNC(=O)C(=O)NC3CC3)cn2c1 858167415 BHHKYJQGOZARMU-UHFFFAOYSA-N 301.306 -0.318 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H](O)c2ccccc2)N1 858695362 WWEBYOFSGSOOMO-GHMZBOCLSA-N 306.322 -0.671 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862450078 WLSNHCOEMJOMNR-VIFPVBQESA-N 306.278 -0.057 50 20 DBGD CN(C)Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862455266 NPPHQIDGRLCPMS-GFCCVEGCSA-N 304.350 -0.212 50 20 DBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460863 KOAMYHIJRZMNFZ-XKSSXDPKSA-N 314.342 -0.817 50 20 DBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(S(N)(=O)=O)c1 863144628 BSVQSDHFWMIKIW-LLVKDONJSA-N 324.362 -0.547 50 20 DBGD O=C(NNC(=O)C1(Br)CC1)C(=O)N1CCCC1 874258154 ZCYQLSMVOLSKCJ-UHFFFAOYSA-N 304.144 -0.316 50 20 DBGD C[C@H](O)CN(C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 910181978 DZDYXPUKWZKCEJ-QJPTWQEYSA-N 311.382 -0.105 50 20 DBGD CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 928732981 ICHSLVZLGZZLSZ-CYBMUJFWSA-N 318.182 -0.114 50 20 DBGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)OC)c1 1116626674 AMIIKOBYWJFSKN-UHFFFAOYSA-N 324.293 -0.620 50 20 DBGD CCCNC(=O)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1318419154 HSNHQBGUEMVSLM-UHFFFAOYSA-N 311.342 -0.505 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1scnc1C(=O)OC 1320665738 HBQPCFHPVCVZRT-UHFFFAOYSA-N 322.368 -0.216 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1328932833 RDDYQRJGFKRCTM-JTQLQIEISA-N 316.358 -0.571 50 20 DBGD C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN(C)C[C@@H](C)O 1590001599 YYCSBIDSEFCMQM-ZJUUUORDSA-N 320.353 -0.022 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cnsn1 1591784567 SENBYYGKSSGGID-UHFFFAOYSA-N 319.310 -0.570 50 20 DBGD Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)NNc1cccnn1 1591835722 QVFOFEMMZZWLRY-UHFFFAOYSA-N 313.281 -0.177 50 20 DBGD CCC(=O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1845971064 SVYHWZJYFQKPFU-JTQLQIEISA-N 302.758 -0.231 50 20 DBGD O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1846195477 UWKBBTJHJVBAQQ-JTQLQIEISA-N 302.689 -0.188 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)NCC2CC2)cc1C(N)=O 145084134 TWGHXTBOCXUDMN-UHFFFAOYSA-N 315.355 -0.974 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCN(C)C1=O 265819555 RPROWUWFXUPIDO-NSHDSACASA-N 320.349 -0.201 50 20 DBGD COC(=O)C1(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 274311348 QKKBHBCAMTZASJ-UHFFFAOYSA-N 309.278 -0.890 50 20 DBGD CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 298940115 GQAOPYMERGJGSX-NSHDSACASA-N 324.381 -0.406 50 20 DBGD CCN1CCN(CC(=O)NN(C)c2ccccc2)C(=O)C1=O 299237562 UNTGEUOXHLTSSV-UHFFFAOYSA-N 304.350 -0.155 50 20 DBGD O=C(NCCOCC(F)(F)F)c1cc(B(O)O)ccc1F 584927935 ZKFAGEMAJQQPAA-UHFFFAOYSA-N 309.024 -0.186 50 20 DBGD CCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1nn[nH]n1 584960984 PIACGTKKYMXAJD-JTQLQIEISA-N 307.094 -0.710 50 20 DBGD CN1CCC[C@@H](CCNC(=O)c2ccc(B(O)O)c(F)c2)C1 584998919 SINWRZMGJODLTK-NSHDSACASA-N 308.162 -0.033 50 20 DBGD C[C@@H]1[C@H](CNCc2ccc(B(O)O)cc2F)N(C)CCN1C 585042530 DTEVVKQADPAENE-ABAIWWIYSA-N 309.194 -0.771 50 20 DBGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCB(O)O 585061410 WYSMZZMPSHEXLC-UHFFFAOYSA-N 312.156 -0.822 50 20 DBGD CN(C)CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 727366240 UETYQVOJEOSXQS-UHFFFAOYSA-N 313.383 -0.698 50 20 DBGD O=C(COC(=O)[C@@H]1C[C@H]1C(=O)O)NNC(=O)c1cccs1 739319285 IKUHYYIGOCAFIA-RNFRBKRXSA-N 312.303 -0.227 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)c2nc(O)nc(O)c2N)c1 746218745 ZPCNLARNCBNCKP-UHFFFAOYSA-N 314.261 -0.584 50 20 DBGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)N(C)C 746594297 ZVMPSSKZPBHULT-MRVPVSSYSA-N 318.337 -0.016 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@@H]1CC[C@@H](C)O1 758050254 AGZUBKSJTOYBJZ-UTLUCORTSA-N 321.399 -0.581 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCN1 760240675 GNUOTMWSNWRAMI-SKDRFNHKSA-N 319.317 -0.500 50 20 DBGD COCC(=O)NNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 764299289 FOEGXKUGWBOYFE-SECBINFHSA-N 307.306 -0.406 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(SC)nc1 764318473 VESLGZXSWLOYQK-UHFFFAOYSA-N 312.351 -0.074 50 20 DBGD CN(C)C(=O)NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 769152352 DNOSQZVHDGTPNX-CQSZACIVSA-N 319.321 -0.343 50 20 DBGD CCOc1nc(C(=O)NNC(=O)CNC(=O)c2ccco2)co1 772693433 KXNFPZBXGVFMDG-UHFFFAOYSA-N 322.277 -0.143 50 20 DBGD NC(=O)C1(NCC(=O)NNC(=O)c2cccs2)CCCC1 777619972 NIVSBTCYKMDNCC-UHFFFAOYSA-N 310.379 -0.103 50 20 DBGD COC(=O)CNC(=O)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 779821176 PPBDMAYNJWOJIJ-UHFFFAOYSA-N 321.249 -0.277 50 20 DBGD COc1ccc(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)nc1 781520936 JMXDLSDKIKMPBC-UHFFFAOYSA-N 315.293 -0.382 50 20 DBGD CSCC(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 799863629 HCGPLUDPSXWJCI-QMMMGPOBSA-N 308.425 -0.042 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 823993776 VRFDJOQRBXWSAY-JTQLQIEISA-N 315.395 -0.106 50 20 DBGD O=C1CSC[C@@H](C(=O)NNC(=S)NCC2CCC2)N1 824437705 YUCNQRJRPSCHBU-QMMMGPOBSA-N 302.425 -0.487 50 20 DBGD O=C(NNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 826444740 SAEQIEOSQWDOLL-SNVBAGLBSA-N 302.294 -0.543 50 20 DBGD CCc1ccc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)cc1 830232216 IZQFTGJQTDHJNO-UHFFFAOYSA-N 317.305 0.000 50 20 DBGD C[C@H]1CN(CCNC(=O)NNC(=O)[C@H]2CCCCO2)CCO1 838111411 DMTIEELFRNCMDQ-NWDGAFQWSA-N 314.386 -0.393 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCSc1nnnn1C 843648349 XGBPJJULJVDWLC-SFYZADRCSA-N 314.371 -0.735 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(F)cnc1O 856744945 XWKIILBNWLIOQG-LURJTMIESA-N 317.298 -0.878 50 20 DBGD Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696515 MOEXROKFKQYDQX-RYUDHWBXSA-N 320.349 -0.363 50 20 DBGD C[C@@](O)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 858697969 VSIIGXDUXXBNQR-IAQYHMDHSA-N 320.349 -0.497 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNc1ccc(-n2ccnc2)nn1 861694559 VESRJWKKUXUCSV-LBPRGKRZSA-N 303.326 -0.124 50 20 DBGD Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 861946060 JTIQYWVWKMCXMT-SNVBAGLBSA-N 318.333 -0.332 50 20 DBGD CC(C)(C)N1CC[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 862993092 MDGSNGLJIDMQKK-ZJUUUORDSA-N 317.411 -0.559 50 20 DBGD COc1ccccc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863413978 PCFRVEZFFAJPQP-QMMMGPOBSA-N 313.335 -0.717 50 20 DBGD CCNc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 863935878 WLUROAFZGAZWDY-ZETCQYMHSA-N 311.367 -0.077 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@H](C(F)(F)F)C1 866008108 REWIJRVSZARPJX-SNVBAGLBSA-N 303.045 -0.230 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCC(=O)N1C 905342077 DYGJHCAMVNVISY-JTQLQIEISA-N 316.427 -0.129 50 20 DBGD Cc1cc(=NNC(=O)C(=O)Nc2nc3n(n2)CCCC3)cc[nH]1 1118877710 VNVITVFEXLNULG-UHFFFAOYSA-N 315.337 -0.178 50 20 DBGD CCc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 1261246605 UZQAUPVPNJGBOL-MRVPVSSYSA-N 315.351 -0.259 50 20 DBGD CN(C)CC[C@H](N)C(=O)NNc1nc2ccccc2c(=O)n1C 1326626204 IMEJDOFGEDEQCJ-NSHDSACASA-N 318.381 -0.344 50 20 DBGD C[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(F)F 1343895658 NVPMYYATORFLRA-NKWVEPMBSA-N 313.326 -0.205 50 20 DBGD C[C@@]1(NNC(=O)NC[C@H]2CCCCCN2)CCS(=O)(=O)C1 1346701511 QQUIHFPQFHCAFA-DGCLKSJQSA-N 318.443 -0.100 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NN(C)[C@H](C)CO)cc1 1348953356 DFVFARGCPFNIHR-SNVBAGLBSA-N 315.395 -0.519 50 20 DBGD C/C=C/[C@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590353096 NXENWEMXYIEUDP-PBKGFPTLSA-N 302.294 -0.435 50 20 DBGD CCNC(=O)NNC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1590744020 DOHCEMFJMPIWGM-UHFFFAOYSA-N 306.286 -0.760 50 20 DBGD CNC(=O)CCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591206769 IVOQXEZJUMUHKB-UHFFFAOYSA-N 319.329 -0.586 50 20 DBGD Cc1cc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nc(N)n1 1592053832 BTPIBHSPWOXOHH-UHFFFAOYSA-N 300.286 -0.368 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cncnc1 1593159045 UIJXECIOFLWXOA-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD Cc1c(C(=O)NNC(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)nnn1C 1599982321 PGZSQSLWMMKTIX-HTRCEHHLSA-N 310.314 -0.870 50 20 DBGD O=C(O)COCC(=O)OCC(=O)NNC(=O)c1ccccc1 1602077369 BPZLGGWPJHMKCA-UHFFFAOYSA-N 310.262 -0.908 50 20 DBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 1603321253 QZONZPBQCFZTSM-CQSZACIVSA-N 323.305 -0.342 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 1604435093 RKSRUCRQXLLODX-SECBINFHSA-N 324.318 -0.001 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H]1CCCO1 65622822 SDIJHEYPIRZEMH-VIFPVBQESA-N 310.310 -0.481 50 20 DBGD C[C@H](CC(=O)NNC(=O)C(=O)NC1CC1)NC(=O)C1CCCC1 263865381 JMKOGHSBMSIYHF-SECBINFHSA-N 324.381 -0.503 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 276668066 ULODHHMWGQOEHU-NEPJUHHUSA-N 321.333 -0.446 50 20 DBGD CCS(=O)(=O)NCCCNC(=O)NNc1ncncc1F 292751792 RJJQBMNMPKWFKB-UHFFFAOYSA-N 320.350 -0.429 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C12CCC2 363292780 OLECGGRGOXGIEN-WDEREUQCSA-N 324.381 -0.057 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1C1CCCC1)C(=O)NC1CC1 365562546 QMAPMLVQNOAKDS-GFCCVEGCSA-N 324.381 -0.944 50 20 DBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494740972 BAPRMWKNSZVVPI-MRVPVSSYSA-N 317.342 -0.142 50 20 DBGD CN(C)CC(=O)NNC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 495899568 ZOOBCGIGDBMIMV-UHFFFAOYSA-N 314.386 -0.048 50 20 DBGD CNC(=O)C1(NC(=O)c2ccc(B(O)O)c(F)c2)CCCC1 584937369 CFVBMPOFWUMLPU-UHFFFAOYSA-N 308.118 -0.706 50 20 DBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)NCc1ccc(F)cc1 585068940 IYJQVPTUQPMDOL-LLVKDONJSA-N 323.133 -0.300 50 20 DBGD CN(C)N(C(=O)Cn1ccccc1=O)[C@@H]1CCS(=O)(=O)C1 728180447 UJOUXKHESMKLFI-LLVKDONJSA-N 313.379 -0.659 50 20 DBGD COC[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736972346 XMNMZEKVDFJRDO-QMMMGPOBSA-N 319.325 -0.154 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)C[S@](C)=O)n1 753361233 ZUVKFTIEUXRRCQ-BTKVJGODSA-N 315.399 -0.403 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sn1 756854929 BUFZDQQZBYKTNZ-LURJTMIESA-N 321.384 -0.458 50 20 DBGD COC(=O)c1ccc(NNC(=O)Cn2ccc(O)nc2=O)nc1 759721563 MATVHKZWHLZXDZ-UHFFFAOYSA-N 319.277 -0.726 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnc(Cl)c(C)c1 764299240 ARVSSYAFBBJASR-UHFFFAOYSA-N 300.702 -0.224 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNc2ncncc2F)C1 814330198 BQUYZZDAOQBBFO-UHFFFAOYSA-N 318.334 -0.678 50 20 DBGD CCN(CCO)NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 823834026 OUEIPIYNTXGQFF-UTUOFQBUSA-N 311.382 -0.105 50 20 DBGD Cn1cc(-c2nn[nH]n2)c(NC(=O)NNC(=O)C2CCC2)n1 826356768 FAPFATJIWGXCPH-UHFFFAOYSA-N 305.302 -0.447 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNc1ncc(Br)cn1 848320516 VLJSNAAKWRUURI-BYPYZUCNSA-N 303.120 -0.261 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO[C@@H]1C1CC1 858365374 MNAYXXLCZILGJK-JVLSTEMRSA-N 324.381 -0.199 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452023 IQZXMBUBXXSRIL-VHSXEESVSA-N 310.354 -0.797 50 20 DBGD COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1ccc(B(O)O)cc1 863879167 VLSFPDAEOZRAQZ-STQMWFEESA-N 321.138 -0.841 50 20 DBGD CN(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C1CCC1 863896393 QIJZBBNMSXSJHK-UHFFFAOYSA-N 305.338 -0.348 50 20 DBGD CSC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 868799450 ALHHUHHUSVPQEL-SECBINFHSA-N 300.384 -0.167 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)C1CCOCC1 883206130 LCKJZILMFGSKGQ-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)c1ccccc1F 920213061 POTGLRMIYYSKLQ-UHFFFAOYSA-N 322.296 -0.081 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccn(CC(F)F)n1 1116623596 OBIWLPNYLAOPLI-UHFFFAOYSA-N 319.268 -0.729 50 20 DBGD Cc1nccn1CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1318135212 IXIPPFQAFSZNSF-LBPRGKRZSA-N 315.399 -0.427 50 20 DBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1OC 1321251316 PECQFYXUJMKXJV-UHFFFAOYSA-N 309.278 -0.412 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)C1CCOCC1 1331287903 DWDAQAXZCAZCAM-UHFFFAOYSA-N 310.354 -0.010 50 20 DBGD O=C(NNc1ncccn1)C(=O)Nc1cncc(C(=O)O)c1 1594781903 XHGOPJUNTSCEBA-UHFFFAOYSA-N 302.250 -0.348 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)COCC(=O)O)nc1C 1596739988 MZLICIZANZUVLB-UHFFFAOYSA-N 312.282 -0.494 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc(CC(=O)O)cc2)O1 1601159782 KFLSUNNCBWCUFB-MNOVXSKESA-N 307.306 -0.210 50 20 DBGD O=C(NCc1cccc2c1OC(F)(F)O2)NNC(=O)C(=O)O 1601543502 FWJVQPYTBXAWQA-UHFFFAOYSA-N 317.204 -0.077 50 20 DBGD CN(C)CCOc1ccccc1CNC(=O)NNC(=O)C(=O)O 1610103521 QDBLHJZAEZZAIV-UHFFFAOYSA-N 324.337 -0.458 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 42464515 CWWLFSDSGGSLJM-NSHDSACASA-N 323.305 -0.280 50 20 DBGD Nc1ccc(C(=O)NNC(=O)[C@H]2COCCO2)cc1[N+](=O)[O-] 266665527 FLKLGAMULKDICT-SNVBAGLBSA-N 310.266 -0.647 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 272844119 RCEGOMAGPQKRAT-MRVPVSSYSA-N 315.351 -0.146 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 273171050 DTLVJEPVDPPPLK-MRVPVSSYSA-N 316.358 -0.475 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C=CCCC1 275189650 JPDUDCTXZIAFNR-VHSXEESVSA-N 303.384 -0.182 50 20 DBGD CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 298308775 PPPXWNNGIPCWSO-UHFFFAOYSA-N 303.315 -0.339 50 20 DBGD O=C(NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)NC1CC1 299369387 MDSLHDUNNLIEBI-LLVKDONJSA-N 317.301 -0.806 50 20 DBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C(=O)N1CCCC1 299615736 YIICUEUTEDLBBV-VIFPVBQESA-N 322.321 -0.832 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)N2CCOCC2)cn1 492677896 IPOHNIVFLBLLPZ-IHWYPQMZSA-N 307.310 -0.429 50 20 DBGD O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)Nc2cccc(B(O)O)c2)N1 584914165 QSHSMIWWVQZPLC-WPRPVWTQSA-N 316.044 -0.628 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)cc2)[C@@H]2CCCC[C@H]2N1 584958205 MQWFYUHPZVRUNT-CHWSQXEVSA-N 302.139 -0.750 50 20 DBGD Cc1nnc2n1CCC[C@H]2NC(=O)c1cccc(B(O)O)c1 584959890 FFVZOPCZFRSATE-GFCCVEGCSA-N 300.127 -0.469 50 20 DBGD CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584982713 HXGLIKFEHFUILI-CQSZACIVSA-N 308.118 -0.896 50 20 DBGD O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cnn[nH]1 729455898 FZHJZHUWGNQKET-UHFFFAOYSA-N 306.238 -0.447 50 20 DBGD C[C@@]1(NNC(=O)NCCOCC2CC2)CCS(=O)(=O)C1 731119309 OVYROYOTAGSIFN-GFCCVEGCSA-N 305.400 -0.206 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)C1CCCC1 731760554 PAWNYESTGOVBRK-UHFFFAOYSA-N 306.388 -0.554 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 737973173 CJGNFMVOCJLDTA-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)C(=O)NC(C)C 738166123 MFXFWDYKNDAQHQ-UHFFFAOYSA-N 310.310 -0.385 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCCNC(=O)C2)cc1 744393678 PUZKAKIXZFHLCO-UHFFFAOYSA-N 315.333 -0.859 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H]1CCNC1=O 759425335 UVUQPZPFCKKHQG-ZDUSSCGKSA-N 318.377 -0.495 50 20 DBGD C[C@H]1CC(=NNC(=O)C(=O)NN=C2C[C@H](C)N(C)C2)CN1C 761792787 GHNLUOOTFPSNCH-UWVGGRQHSA-N 308.386 -0.621 50 20 DBGD COCc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 764685543 ANXKESBWGUTDGI-MRVPVSSYSA-N 303.340 -0.186 50 20 DBGD CNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 767327883 MEFAELDJRABOBN-UHFFFAOYSA-N 316.339 -0.784 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1noc(C)c1C#N 779518245 CKCYYEXEGSVSMM-UHFFFAOYSA-N 321.337 -0.151 50 20 DBGD O=C(CC1OCCO1)NNC(=O)[C@@H]1COc2ccccc2O1 788621064 KQFCVCYYMJACHF-NSHDSACASA-N 308.290 -0.263 50 20 DBGD CCc1nncn1CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826109573 ZIFIHODNJQSIFB-VHSXEESVSA-N 310.358 -0.404 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)C(C)(C)O)C(=O)OC(C)(C)C 832749834 OQTXZCAYAANEQO-CYBMUJFWSA-N 304.343 -0.349 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c1 847286634 WMBVMRKINLUJMJ-NEPJUHHUSA-N 321.333 -0.024 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847287126 NWWFPBZLYWVBRE-UWVGGRQHSA-N 321.333 -0.267 50 20 DBGD O=C1NCC[C@H]1C(=O)NNc1ncc(Br)cn1 855053499 ITRIALILDYEPAX-ZCFIWIBFSA-N 300.116 -0.182 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cc[nH]n1 855362031 MDTJLWYUWIVIGC-DTORHVGOSA-N 319.321 -0.654 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CNc1cccc(OC)c1 856792575 WPLHBFOSQCMKIY-LBPRGKRZSA-N 311.338 -0.084 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)CN1CCCC1 858277912 PTOOZAYEVGBMBO-MNOVXSKESA-N 311.386 -0.673 50 20 DBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)N1CCOCC1 858907849 HBWVJRFBKUCQRG-LLVKDONJSA-N 300.359 -0.390 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(F)c1 863464871 WBOIQRVWOKDYHT-UHFFFAOYSA-N 316.310 -0.166 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)COCCOC 869909380 UEDHLADTJMPKPY-LLVKDONJSA-N 315.370 -0.412 50 20 DBGD OCCn1ncc2c1CCC[C@@H]2NCc1ccc(B(O)O)cc1 876965122 BTAAOCGIVBFSJC-HNNXBMFYSA-N 315.182 -0.278 50 20 DBGD CC(=O)N1C[C@H]2CN(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)C[C@H]2C1 883705264 GRPFHVHNJDBPKD-FTYKPCCVSA-N 324.381 -0.438 50 20 DBGD CC(C)CNC(=S)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920077066 KXVOXSHKRJKYRS-QMMMGPOBSA-N 308.429 -0.492 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](c1ccco1)N1CCCC1 1116182245 ZJGKYTAOTDHKKN-JTQLQIEISA-N 324.337 -0.080 50 20 DBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCCOC1 1116519179 ZQXNBCKWGRAPAF-SKDRFNHKSA-N 304.368 -0.615 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1([S@](C)=O)CC1 1116920937 QDWLFBNBRNHKTI-BTKVJGODSA-N 321.399 -0.721 50 20 DBGD CN(C)C1CCN(CCNC(=O)NNC(=O)c2ccc[nH]2)CC1 1253713395 XEWSAMXICBCBEF-UHFFFAOYSA-N 322.413 -0.015 50 20 DBGD CCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1 1254785280 RBQBDDLPDKQLRZ-QWRGUYRKSA-N 311.342 -0.442 50 20 DBGD CCOCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1319610770 YWIXXZWFLPDNQC-JTQLQIEISA-N 324.337 -0.391 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CO[C@H]1CCOC1 1320005452 LXAQQAPUDQEEKS-VIFPVBQESA-N 317.342 -0.536 50 20 DBGD COC(=O)CCOc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320349223 XFTSNRIRWMKJEX-UHFFFAOYSA-N 323.305 -0.266 50 20 DBGD Cc1nn(C)c2ncc(NC(=O)C(=O)NNC(=O)C3CC3)cc12 1323942176 ZRUVXYCBVROGJI-UHFFFAOYSA-N 316.321 -0.227 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)CC[C@@H]1NC(=O)NC1=O 1325219323 NRDWBSDDELSTFF-NSHDSACASA-N 318.333 -0.245 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1CCN(C2CC2)CC1 1329125605 AKVDBWYEOMAMJT-UHFFFAOYSA-N 303.384 -0.947 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)C1CCOCC1 1333588856 SIFNXDISPHPCKW-LBPRGKRZSA-N 309.366 -0.039 50 20 DBGD O=C(CNC(=O)NNC(=O)c1cccc(F)n1)NCC(F)F 1350393989 GMXUDCKZIQFKON-UHFFFAOYSA-N 319.243 -0.454 50 20 DBGD CC(C)(C)OC(=O)CCCCNC(=O)NNC(=O)C(=O)O 1589873722 ALFRMSPCAZUEBD-UHFFFAOYSA-N 303.315 -0.087 50 20 DBGD O=C(NNC(=O)c1cccc(F)c1-c1nn[nH]n1)c1cc[nH]n1 1593158894 LIAWFYUYSCYPHB-UHFFFAOYSA-N 316.256 -0.196 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccnnc2)CO1 1595005249 MNWDYRHMEHPLKC-NXEZZACHSA-N 308.294 -0.493 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNC(=O)c2ccccn2)C1=O 1595084748 XKQXOVYXYXOPNI-SECBINFHSA-N 320.305 -0.834 50 20 DBGD COC(=O)[C@@H](CCC(=O)O)NC(=O)/C(C#N)=C\c1cnn(C)c1 1598891980 YOFVSIUJYJMVDY-GULOHRGCSA-N 320.305 -0.150 50 20 DBGD O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)NNC(=O)C(=O)O 1601491304 IRUWHXCUOQJPHW-PHDIDXHHSA-N 313.232 -0.099 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(CCC(=O)O)c1 1604504818 HPTWPDWEHGLZJB-UHFFFAOYSA-N 323.305 -0.564 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccc(C(=O)O)nc2)cn1 1608098818 QPIQBADOEVVFND-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1609882328 VFNZQTKLYDZBHA-ISTVAULSSA-N 313.354 -0.645 50 20 DBGD CCOC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)C(=O)O 1610024376 SJYKDNBLSPJIBI-UHFFFAOYSA-N 323.261 -0.966 50 20 DBGD O=C(c1cn[nH]c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559719 KEXUWZDLRBZMFE-GARJFASQSA-N 312.757 -0.175 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)cc1 61473760 POVAKSMIHCJOKM-UHFFFAOYSA-N 314.301 -0.142 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2ccncc2)CC1=O 266765601 HTOLFIQLJVXFIA-LBPRGKRZSA-N 319.365 -0.747 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1cnccn1 267363923 QFWDWABFFWSZBK-UHFFFAOYSA-N 317.371 -0.736 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1ccccc1=O 276570978 NCJZSGBADPLOQT-UHFFFAOYSA-N 311.338 -0.215 50 20 DBGD COCCN(C)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 297073149 LQAYMUYOFVJEND-UHFFFAOYSA-N 314.367 -0.907 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CN2CCCN1CC2 378309752 PKNHBFIGWOOPIT-CQSZACIVSA-N 320.368 -0.095 50 20 DBGD CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584936478 JSRKJWNJJIRHON-GFCCVEGCSA-N 304.155 -0.645 50 20 DBGD O=C(NCCc1cn2c(n1)SCC2)c1ccc(B(O)O)cc1 584979963 MBBNZKAHVCLSQB-UHFFFAOYSA-N 317.179 -0.359 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)S1(=O)=O 584991219 WKPFAPPNYYYDTH-AOOOYVTPSA-N 311.168 -0.986 50 20 DBGD O=C(NNC(=O)[C@H]1CCOc2ccccc21)C(=O)NC1CC1 728187819 UWIQTVKPTSKFOJ-NSHDSACASA-N 303.318 -0.021 50 20 DBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)O1 756906651 UEPKHTWZBFILMX-AEJSXWLSSA-N 304.368 -0.474 50 20 DBGD Cc1cc(C)n(CCC(=O)NNc2ccc(C(N)=O)nn2)n1 757402212 KNQJFHWAXZLTRT-UHFFFAOYSA-N 303.326 -0.078 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 768261121 MCHNOUDYUSYCIA-UHFFFAOYSA-N 321.293 -0.137 50 20 DBGD COCc1nn(CC(=O)NNC(=O)c2ccc(C)cc2)c(=O)o1 776849092 VFAXNAJVOQESED-UHFFFAOYSA-N 320.305 -0.248 50 20 DBGD Cc1c[nH]cc(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1=O 781425842 KDLLDEQPDGAGRJ-UHFFFAOYSA-N 315.293 -0.177 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCCC(N)=O)c1 787904161 YASFXJOXEGJZRE-UHFFFAOYSA-N 307.310 -0.543 50 20 DBGD CCOC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCCC1 790161889 IBLHBGRNWZGIMI-JTQLQIEISA-N 318.395 -0.082 50 20 DBGD C[C@@H](C(=O)NNc1nc2ccccn2n1)N1C(=O)CCC1=O 791260994 XPNDVWJWQKCYJJ-QMMMGPOBSA-N 302.294 -0.290 50 20 DBGD CON(C)C(=O)CNC(=O)NNC(=O)Cc1ccccc1C 817798341 JWKXQBBIGBRKMJ-UHFFFAOYSA-N 308.338 -0.112 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C1CC1 819651751 UAXKDORVOFDVGF-UHFFFAOYSA-N 323.378 -0.033 50 20 DBGD C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(=O)N(C)C 821995077 ZUYAKCCXZAPMMI-MRVPVSSYSA-N 318.341 -0.031 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc(Cl)n2C)CC1 822765339 ZVXXKYIAHLUINF-UHFFFAOYSA-N 300.750 -0.325 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NN=Cc1ccc(S(N)(=O)=O)o1 842550583 ZIRFCPRKFNGRRV-APPZFPTMSA-N 301.324 -0.198 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 855017948 OMIFSDNPYAXSQA-JTQLQIEISA-N 320.305 -0.557 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c1 856794202 UYJWWKGKDHDZTQ-NEPJUHHUSA-N 320.349 -0.234 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc(Cl)n1 857323612 SQLXFHHHLVZOTE-UHFFFAOYSA-N 314.729 -0.399 50 20 DBGD Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860539477 JMEVMXISINBXER-SECBINFHSA-N 319.321 -0.475 50 20 DBGD Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459171 OEKPIKJIIKPORC-QMMMGPOBSA-N 306.278 -0.057 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1[N+](=O)[O-] 863457507 JPESAKXXBSDKQG-UHFFFAOYSA-N 315.307 -0.291 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCS(=O)(=O)C1 919889259 KHBHTEYIPRCWFM-UKKRHICBSA-N 315.395 -0.060 50 20 DBGD CC(=NNC(=O)C(N)=O)c1ccc(S(C)(=O)=O)c(F)c1 1116130388 JGXPCACWGJQILW-UHFFFAOYSA-N 301.299 -0.445 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)OC)[C@@]12CCCO2 1320296282 PVSQRMXYTTYNAD-KKFJDGPESA-N 315.326 -0.784 50 20 DBGD CCC(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](B(O)O)C1 1329673445 YDRLACFYJTYDBR-NXEZZACHSA-N 302.205 -0.290 50 20 DBGD CCOC(=O)c1nn(C)cc1C=NNC(=O)[C@H]1CCC(=O)N1 1331823038 XXJKBKJDSDEHSI-SECBINFHSA-N 307.310 -0.675 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCc2nn[nH]c21 1334107307 WITCZRCWOBXCOE-SECBINFHSA-N 322.369 -0.323 50 20 DBGD O=C(NNS(=O)(=O)c1c[nH]c2ncccc12)c1cnccn1 1337686285 OTWQLSPTYQWURQ-UHFFFAOYSA-N 318.318 -0.024 50 20 DBGD Cn1ncc(Br)c1C=NNC(=O)CS(C)(=O)=O 1351650761 JKWSUHZOPFTYTD-UHFFFAOYSA-N 323.172 -0.323 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 1590001595 YYCSBIDSEFCMQM-UWVGGRQHSA-N 320.353 -0.022 50 20 DBGD Cc1nnc(NNC(=O)Cc2ccc(-c3nn[nH]n3)nc2)n1C 1592449743 WRHVEBHKFQPJJV-UHFFFAOYSA-N 314.313 -0.616 50 20 DBGD O=C1NCCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1593409473 YZMVKRWKEATVNC-JTQLQIEISA-N 301.310 -0.164 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccc(C(=O)O)cc2F)C1=O 1598623279 CKRFWQPCJDTINT-SNVBAGLBSA-N 311.269 -0.176 50 20 DBGD O=C(O)[C@@H](Cc1ccncc1)NCc1cccc(B(O)O)c1 1605903887 OFGIMJAYFSKVSV-CQSZACIVSA-N 300.123 -0.453 50 20 DBGD CN1CC[C@@H](C(=O)NNc2ccccc2C(=O)O)S1(=O)=O 1606212903 STEBYVBXEBIAMD-JTQLQIEISA-N 313.335 -0.138 50 20 DBGD Cn1nncc1NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1606286671 UOZWFTIEAXAEFP-UHFFFAOYSA-N 315.297 -0.483 50 20 DBGD O=C(N[C@H](C(=O)O)c1ccccn1)c1ccc(B(O)O)cc1 1608387811 GFGNNYSYJIKNEI-LBPRGKRZSA-N 300.079 -0.683 50 20 DBGD O=C(O)CCN1CCC(=NNC(=O)C(=O)N2CCCC2)CC1 1608723557 SYUYBKIHKBLQSL-UHFFFAOYSA-N 310.354 -0.349 50 20 DBGD CC(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841418643 LYSITOFZHKLPDM-QWRGUYRKSA-N 318.801 -0.194 50 20 DBGD O=C(CN1CCOCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 20075920 RRASESSNRFMBEI-UHFFFAOYSA-N 308.294 -0.312 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)CC1=O 75541685 NOXATDBKHOKQDF-LLVKDONJSA-N 304.350 -0.008 50 20 DBGD CCNC(=O)CN(CC)CC(=O)NNC(=O)c1cccs1 102688953 LTWYBRWSTPBNJB-UHFFFAOYSA-N 312.395 -0.033 50 20 DBGD CCn1c(=O)n(CC(=O)NNC(=O)C(C)(C)O)c2ccccc21 190065935 HUHMTLRTGNNIRI-UHFFFAOYSA-N 320.349 -0.259 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 264328584 UJHDFVGXZXEPTR-UHFFFAOYSA-N 316.317 -0.389 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1cccc([N+](=O)[O-])c1 269644980 YWMJNNFAKNBPCY-ZETCQYMHSA-N 302.312 -0.024 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)C1 282830305 OSHYXTJXXLQSKQ-UHFFFAOYSA-N 318.333 -0.441 50 20 DBGD N#C[C@H]1COCCN1CC(=O)NNC(=O)c1ccc(F)cc1 298606032 LTRXMKRETHXFNG-LBPRGKRZSA-N 306.297 -0.189 50 20 DBGD O=C(CN1CC[C@@H](n2cncn2)C1)NNC(=O)c1ccccc1 372381727 YCEJSHPPUJOHFM-CYBMUJFWSA-N 314.349 -0.014 50 20 DBGD C=CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584944754 MXOGRXRIBVZDPV-ZDUSSCGKSA-N 320.129 -0.588 50 20 DBGD C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc(B(O)O)ccc1F 584957129 FWDCMSZFAYZYAY-KOLCDFICSA-N 311.118 -0.571 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](c2nn[nH]n2)C1 584965462 OPOXJDPXORTNAG-MRVPVSSYSA-N 319.105 -0.962 50 20 DBGD O=C(c1cccc(B(O)O)c1)N(CCO)C1CCSCC1 584984755 YMWJUKYUGJMLMQ-UHFFFAOYSA-N 309.196 -0.304 50 20 DBGD O=C(N[C@@H](C1CC1)[C@@H](CO)C1CC1)c1ccc(B(O)O)cc1 584998576 RISJEKHLPNNUEB-GJZGRUSLSA-N 303.167 -0.107 50 20 DBGD O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cccc(B(O)O)c1 585006458 WLCJEUNIRVRVGH-OAHLLOKOSA-N 318.182 -0.651 50 20 DBGD C[C@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CCC(=O)NC1 585054863 NZIJUGKGFDSREA-AWEZNQCLSA-N 301.111 -0.416 50 20 DBGD NC(=O)CNC(=S)NNC(=O)Nc1ccc2c(c1)OCO2 741854434 LJSMMNCVPSQMQY-UHFFFAOYSA-N 311.323 -0.599 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1=O 747938763 YYOIDQBRMZFQTR-VIFPVBQESA-N 307.354 -0.130 50 20 DBGD COc1ccnc(NNC(=O)NCc2cc(C(N)=O)no2)n1 752685445 WOZZFRCSGMRDFV-UHFFFAOYSA-N 307.270 -0.602 50 20 DBGD COCCOc1ccc(C#N)cc1NC(=O)NNC(=O)CO 758013839 HBDIGESICOHXJH-UHFFFAOYSA-N 308.294 -0.272 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CCn2cnccc2=O)c1 794291859 AFKWNCLZZTVWPH-UHFFFAOYSA-N 311.301 -0.034 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)Nc1cnnn1C 809911168 WVJNNARGEVLKTG-UHFFFAOYSA-N 300.319 -0.243 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)CCc2ccccc2)c1=O 815187222 PIJHBKJCIRKAIO-UHFFFAOYSA-N 317.349 -0.248 50 20 DBGD CC(C)NC(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825681176 HNEZOGCHCFILOZ-ZJUUUORDSA-N 300.359 -0.344 50 20 DBGD CC(=O)N1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[C@H](C)C1 827286652 AWGKJUFEYMJAIR-JFGNBEQYSA-N 312.370 -0.295 50 20 DBGD COC[C@@](C)(CC(=O)O)NCC(=O)NNC(=O)C(C)(C)C 831572518 ASHJFJMPQMYKOF-CYBMUJFWSA-N 303.359 -0.351 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC([C@@H]2OCC[C@H]2N)CC1 843389405 SMFWOZAMANQIRR-QKCSRTOESA-N 312.414 -0.240 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 843754866 SQIIXSZDFPLBMZ-JTQLQIEISA-N 314.305 -0.208 50 20 DBGD Cn1c(CC(=O)NNC(=O)C(C)(C)O)nnc1-c1ccccc1 847856914 XFOQJOYERGNEBK-UHFFFAOYSA-N 317.349 -0.057 50 20 DBGD O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCCCNC1=O 852027997 NMVRTVHEIMVAJB-MRVPVSSYSA-N 309.301 -0.167 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NCCCSC#N 854362149 CQNNWVAHWOCBME-UHFFFAOYSA-N 300.384 -0.261 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=S)NCC1CCC1 855089903 LMXWBMXYHVUGCO-MRVPVSSYSA-N 322.456 -0.390 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCOC(=O)N2)cc1OC 858122965 LTZXXVLULHBRQM-SECBINFHSA-N 323.305 -0.037 50 20 DBGD CCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 861945795 BNUZOFNNXJYVCH-NSHDSACASA-N 318.333 -0.387 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)N1 862460236 GLHWWCNEAILUQR-MWLCHTKSSA-N 322.277 -0.946 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cnc3n2CCCCC3)N1 862463953 PLOLFVWYHDWQSV-SECBINFHSA-N 305.338 -0.351 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1 862473571 VVCCPEQNXGHNOZ-LURJTMIESA-N 319.243 -0.419 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC(=O)c2cccn21 869905358 BHPLRTXUKFMJSB-NSHDSACASA-N 309.322 -0.184 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1 869908981 DOYFNIUHZOBNJO-GHMZBOCLSA-N 304.343 -0.619 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)CS(C)(=O)=O)cc1 919680008 XKTNQHDHXJZCCV-UHFFFAOYSA-N 316.335 -0.734 50 20 DBGD Cn1c(C=NNC(=O)c2ccc[nH]2)nc2c1c(O)nc(=O)n2C 920372953 KFWGNIUPENDIMR-UHFFFAOYSA-N 315.293 -0.535 50 20 DBGD CC(C)C(=O)NNC(=O)NC1CCN(CC(=O)N(C)C)CC1 1116098539 DZZPUUNBDQEHIO-UHFFFAOYSA-N 313.402 -0.475 50 20 DBGD CCOC(=O)C1CCC(NC(=O)NNC(=O)C(=O)OC)CC1 1116181716 GXDMXGYXPRBEAV-UHFFFAOYSA-N 315.326 -0.388 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccnc1 1116600012 MVLZMYMBBBYSOL-SECBINFHSA-N 310.310 -0.781 50 20 DBGD O=C(CCCn1cccn1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1251416267 GGYRKNKUDZPRRZ-SNVBAGLBSA-N 314.367 -0.755 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)C2CCC2)cccc1C(N)=O 1254904682 DIRWIXFWHPZWMP-UHFFFAOYSA-N 318.333 -0.020 50 20 DBGD Cc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1S(N)(=O)=O 1331897771 ZGVKOZKAVFBETI-JTQLQIEISA-N 312.156 -0.669 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1592499715 APYZTVGKAUQQGT-XPUUQOCRSA-N 320.309 -0.046 50 20 DBGD O=C(CC1CS(=O)(=O)C1)NNc1cccc(-c2nn[nH]n2)c1 1592826522 ISRSUWOTPHGIKX-UHFFFAOYSA-N 322.350 -0.256 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@]2(C(=O)O)CCCO2)nc1 1593883334 YXOCQXTVNJFNOJ-ZDUSSCGKSA-N 309.278 -0.055 50 20 DBGD CCOc1ccc(NC(=O)CNC(=O)NNC(=O)C(=O)O)cc1 1597112734 WBYUJAJDTXYQES-UHFFFAOYSA-N 324.293 -0.561 50 20 DBGD O=C(NNC(=O)c1cccnn1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 1601555559 IIQFCZNUQDIHIO-CDLYGTGVSA-N 319.321 -0.080 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@H](C(=O)O)C1 1604359022 SVPKJBHHPCAHTE-SFYZADRCSA-N 305.356 -0.329 50 20 DBGD Cc1ccc(NNC(=O)NCCC(=O)NCCC(=O)O)nn1 1607810088 PTDQVXGYDNXTDV-UHFFFAOYSA-N 310.314 -0.608 50 20 DBGD CC(C)(O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559253 SUGCOBKEFNTQQO-DCAQKATOSA-N 318.801 -0.051 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1[N+](=O)[O-] 17806025 SXLUAMXXKWRIKJ-UHFFFAOYSA-N 306.278 -0.057 50 20 DBGD CCCCNC(=O)NNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 142588060 WJQDOTBNKPHVSZ-UHFFFAOYSA-N 319.321 -0.040 50 20 DBGD CCCC[C@@H]1C(=O)NCCN1C(=O)c1cccc(B(O)O)c1 584960449 KXFSECCNAKIATN-CYBMUJFWSA-N 304.155 -0.503 50 20 DBGD CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584972592 AXDAVICMEJDHIV-SNVBAGLBSA-N 308.118 -0.754 50 20 DBGD CC(C)N1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 746185040 FLXYYSCPTPCVTI-UHFFFAOYSA-N 310.398 -0.123 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(F)(F)F 758026558 RHOUIHBUGVWMBC-RXMQYKEDSA-N 305.278 -0.586 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1=NNC(=O)CC1 771846730 LIASDBXMDWQWAV-QMMMGPOBSA-N 312.326 -0.622 50 20 DBGD C#C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)[C@@H]1CCCO1 776225639 QHUHMUVLCBNEPN-GMXVVIOVSA-N 315.395 -0.452 50 20 DBGD CCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1 782965634 ICECFOFJTGDJSI-UHFFFAOYSA-N 318.333 -0.387 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C(F)F 792640638 GFMUPBWAFMJSLD-RXMQYKEDSA-N 301.315 -0.637 50 20 DBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)[S@@]1=O 796374296 BBEOGGMHGFZSTD-XAJVAHTNSA-N 301.412 -0.225 50 20 DBGD CCCNC(=O)NNC(=O)c1nnn(-c2ccn(C)n2)c1C 814408718 ZOLSWGATVSTHSZ-UHFFFAOYSA-N 306.330 -0.337 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cccc(-c2nn[nH]n2)c1 826138208 KKALDUSTQOTLLZ-UHFFFAOYSA-N 303.282 -0.327 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)C2(n3cnnn3)CC2)c1 831749784 HPVPVEDSVSXEAQ-UHFFFAOYSA-N 322.350 -0.291 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 843649933 YWSFFGKNTDFFPV-WCBMZHEXSA-N 311.298 -0.246 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=S)NCC1CCC1 855092861 CVLDBCTZOBTFHY-UHFFFAOYSA-N 308.429 -0.779 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)N1 858300285 HCOILZVDWPVSPD-LNFKQOIKSA-N 310.354 -0.447 50 20 DBGD C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858700460 MCSULBRVJWQEGM-UTUOFQBUSA-N 323.397 -0.436 50 20 DBGD Cc1csc(C(=O)NNC(=O)c2cnn(C[C@H](O)CO)c2)c1 862480454 WCGAIWBDKVWETM-JTQLQIEISA-N 324.362 -0.319 50 20 DBGD C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)CS(C)(=O)=O 863460875 NWFSCDSFQWLXHY-NXEZZACHSA-N 322.383 -0.847 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1cnn2ccccc12 869903003 GCZBZHQHABHGIP-UHFFFAOYSA-N 306.322 -0.313 50 20 DBGD C[C@@]1(CCCC(=O)NNc2ncncc2F)NC(=O)NC1=O 1117765991 HPIFPJXYHMXJNS-LBPRGKRZSA-N 310.289 -0.173 50 20 DBGD CC[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)C(=O)OC 1117812710 RIVPJXSRLOUEII-LURJTMIESA-N 315.248 -0.153 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(Cl)c1 1255507711 CLCFELANTCQTHS-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)Cc1cc[nH]n1 1318312773 GQEQXTBAHOQSGH-MRVPVSSYSA-N 305.294 -0.489 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCc1ncn(C)n1 1319693016 ARPWSEMBIYSAGD-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 1324361226 DAWURPLGYKVVMO-UHFFFAOYSA-N 324.680 -0.529 50 20 DBGD CCCn1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)nn1 1324644472 MOJUTRJLDMGRSJ-JTQLQIEISA-N 315.399 -0.206 50 20 DBGD Nc1cnnc(NNC(=O)CNC(=O)[C@@H]2CCCN2)c1Cl 1332451595 IYERRICPUSXNMV-ZETCQYMHSA-N 313.749 -0.977 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 1589416144 ORVQGOUODFDLBI-VLEAKVRGSA-N 314.338 -0.171 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1590000021 CVHISUARXOJQHP-LDYMZIIASA-N 306.326 -0.756 50 20 DBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cnsn2)CO1 1595007094 YJRFWJWVODKIAZ-RQJHMYQMSA-N 314.323 -0.431 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC(C)(C)CC(=O)O 1599249111 UQSIOADPGRPTNL-SECBINFHSA-N 319.358 -0.131 50 20 DBGD O=C(NCCn1cc(C(=O)O)nn1)NNC(=O)C1CCCC1 1601516916 PUEPIQUMAJPCGS-UHFFFAOYSA-N 310.314 -0.503 50 20 DBGD CCCCn1ncc(NC(=O)C(=O)NNC(=O)C(=O)O)c1C 1605296042 VEKUUZNFKAJGIG-UHFFFAOYSA-N 311.298 -0.838 50 20 DBGD CCO[C@@H](CS(=O)(=O)NNC(=O)NCC(=O)O)C1CC1 1605592790 GKDKOYUYBLMCNC-QMMMGPOBSA-N 309.344 -0.980 50 20 DBGD O=C(CN1CCOCC1=O)NNc1ccc(-c2nn[nH]n2)cc1 1609526279 HZJUFWIJQIDCJT-UHFFFAOYSA-N 317.309 -0.831 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 49275438 ICNXBOMUXYMECI-UHFFFAOYSA-N 300.340 -0.312 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(F)cc1F 113429858 VEFJMQDMADTWMC-UHFFFAOYSA-N 300.265 -0.340 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C[C@@H]1COC(=O)C1 269027696 RATQQZQRVPCHNE-VIFPVBQESA-N 308.290 -0.128 50 20 DBGD CCNC(=O)N(C)NC(=O)CN(C)c1ncnc2nc[nH]c12 272688804 PVQVTYYVXUCKCN-UHFFFAOYSA-N 306.330 -0.518 50 20 DBGD COc1cccc(C[C@H](C(=O)NNC(C)=O)n2nnnc2C)c1 274159945 FDKRWONECWVEBU-CYBMUJFWSA-N 318.337 -0.059 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 276192781 DXPPPQRAMHHWAB-VIFPVBQESA-N 309.322 -0.454 50 20 DBGD CC(C)n1cc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)cn1 292075655 LWJHMHMXCCTADL-JTQLQIEISA-N 302.356 -0.048 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2cccn2C)CC1=O 298335913 BHIYUJBPGSGGMF-SNVBAGLBSA-N 308.338 -0.719 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)c1cccc(N(C)C)c1 298651171 MYZATXJNHAHVET-UHFFFAOYSA-N 307.354 -0.215 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)c2cccc(B(O)O)c2)n1 584974267 NCJXOBPCTUTCNX-SNVBAGLBSA-N 303.127 0.023 50 20 DBGD COC[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H](C)O1 584979477 VGDDGZUJVQMPFK-GXSJLCMTSA-N 311.118 -0.619 50 20 DBGD OB(O)c1ccccc1CNC[C@H]1CN2CCCC[C@H]2CO1 585032653 XVGMQWFXRBPWQN-GJZGRUSLSA-N 304.199 -0.291 50 20 DBGD O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CC[C@H](B(O)O)C1 585057327 RDHYHZFLYXIHIL-YFKPBYRVSA-N 313.066 -0.334 50 20 DBGD NC(=O)c1cccc(OCCC(=O)N2CC[C@@H](B(O)O)C2)c1 585075851 JVTKGSBCHMQUAF-LLVKDONJSA-N 306.127 -0.370 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(C)(C)C 728516929 ROYFWOAQOBSSQR-JTQLQIEISA-N 312.370 -0.693 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1O 768767700 NJXLAHQTIWLEPP-ZWNOBZJWSA-N 302.334 -0.368 50 20 DBGD O=C(NCC(=O)N1CCOCC1)NNC(=O)c1ccccc1O 776638999 CYFNMOHADMCAKQ-UHFFFAOYSA-N 322.321 -0.805 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@@H](CO)C1 787320207 DTSBYSOCWORMAZ-SDDRHHMPSA-N 301.387 -0.350 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 791012530 OCOPWIGVYPPCKA-QMMMGPOBSA-N 307.306 -0.257 50 20 DBGD CCC1=C(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCCO1 806787898 OYVFUJBVLKYOMY-QMMMGPOBSA-N 319.383 -0.454 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cn1 807516032 CHMPLPSTGCHVPH-UHFFFAOYSA-N 308.342 -0.644 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)Cc2cncc(O)c2)n1 816827246 JYPXSIXVNXPEIB-UHFFFAOYSA-N 303.322 -0.009 50 20 DBGD CCN1CCN(CC(=O)N(C)CC(Cl)Cl)C(=O)C1=O 819850160 RUXOJAXNTQVPHN-UHFFFAOYSA-N 310.181 -0.061 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCN(C)C(=O)OC 822789729 LLTJDGOVYWJFCA-SECBINFHSA-N 320.346 -0.934 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839696850 UXTHOCYBTDYKDW-NXEZZACHSA-N 303.278 -0.311 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OCC(N)=O 843640262 BEUUNNKRXVHCEP-UWVGGRQHSA-N 321.333 -0.263 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843972526 AVORIDYIPLUJMF-ZJUUUORDSA-N 321.399 -0.770 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 847421030 JORCAUJUSJJQAX-JGVFFNPUSA-N 324.362 -0.863 50 20 DBGD Cc1nn(CC(=O)NNc2cc(C#N)cc(Cl)n2)c(=O)n1C 847638830 LCOCAKBCORBMKI-UHFFFAOYSA-N 321.728 -0.046 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C(C)(C)NC(C)=O 854387091 ZVGAXYRQZXWNTI-UHFFFAOYSA-N 303.359 -0.162 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c1 856794205 UYJWWKGKDHDZTQ-VXGBXAGGSA-N 320.349 -0.234 50 20 DBGD C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)CS(C)(=O)=O 863460876 NWFSCDSFQWLXHY-UWVGGRQHSA-N 322.383 -0.847 50 20 DBGD O=C(/C=C\CN1CCOCC1)NNC(=O)N=c1cc[nH]cc1 868119705 YTCJEGZZLLVCOX-UPHRSURJSA-N 305.338 -0.455 50 20 DBGD CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 928732983 ICHSLVZLGZZLSZ-ZDUSSCGKSA-N 318.182 -0.114 50 20 DBGD CCN(CCS(C)(=O)=O)C(=O)NNC(=O)c1cn[nH]c1 1118811428 XQHRKRKASLKBCM-UHFFFAOYSA-N 303.344 -0.869 50 20 DBGD CCOc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)OC 1326090154 WEWMQPSZSHBMHK-UHFFFAOYSA-N 309.278 -0.656 50 20 DBGD C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[C@@H]1CCOC1 1326983311 KZDVTDAEFHCFDX-UMNHJUIQSA-N 305.400 -0.208 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@]2(CCOC2=O)C1 1341021137 RWVBFYGAAKTUBR-BHDSKKPTSA-N 311.338 -0.209 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 1342600696 KOZSPKAFSAVTRU-UHFFFAOYSA-N 319.277 -0.531 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnc(C2CC2)nc1N 1350531435 UHNUNWSYERTCTF-UHFFFAOYSA-N 306.326 -0.778 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)c1ccc(-c2nn[nH]n2)cn1 1451878407 IYXHXLZNTWMZEB-SECBINFHSA-N 319.350 -0.082 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc(C(=O)O)cc1F 1598668780 BYUJODAZHCMWAD-UHFFFAOYSA-N 305.287 -0.484 50 20 DBGD Cn1nc(NC(=O)NNC(=O)[C@H]2CCCCO2)cc1C(=O)O 1608151118 OVLPFBWETVXPHT-MRVPVSSYSA-N 311.298 -0.160 50 20 DBGD NC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Cl 1796811499 RHKMYYMQPIVGFO-ODHVRURNSA-N 320.752 -0.173 50 20 DBGD C#CC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846386050 XZMBEMHDHAHJPV-UHFFFAOYSA-N 306.366 -0.804 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 48962116 XDZQHINEGNTTBY-UHFFFAOYSA-N 307.353 -0.788 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)N1 264426316 VCZVIMYSUJVVEY-KCJUWKMLSA-N 305.290 -0.748 50 20 DBGD CN1CCN(C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 285734176 BXDMQZWQGSWASD-UHFFFAOYSA-N 317.349 -0.075 50 20 DBGD COC(=O)COCC(=O)NNc1nc2ccccc2c(=O)n1C 287481340 OSZBIMDDBBVSOQ-UHFFFAOYSA-N 320.305 -0.434 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n1 288551807 WJIQLSJNSUBYGS-ZJUUUORDSA-N 322.369 -0.201 50 20 DBGD NC(=O)CC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584931100 ZEAABPBXHCBYRG-UHFFFAOYSA-N 308.118 -0.767 50 20 DBGD O=C(CN(C(=O)c1cccc(B(O)O)c1)C1CC1)NC1CC1 584939867 MBUGWCJKGXBHRV-UHFFFAOYSA-N 302.139 -0.750 50 20 DBGD O=C(NC[C@@H](CO)Cc1ccncc1)c1cccc(B(O)O)c1 584985006 FKYVDTFSEJUSPD-ZDUSSCGKSA-N 314.150 -0.658 50 20 DBGD CC(C)n1cnnc1CN(C)C(=O)c1cc(B(O)O)ccc1F 584993581 XOGGSBCKJYWQDE-UHFFFAOYSA-N 320.133 -0.050 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)COc2ccccc2O)CC1=O 730781659 WMWZSJCMCFWRJZ-JTQLQIEISA-N 321.333 -0.213 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](O)C2CC2)c1 744991811 YYEXJAAJOZHZGS-ZDUSSCGKSA-N 317.301 -0.367 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)N1CCOCC1)C1CCCC1 745992178 VXBKPYWOKGMXLE-GFCCVEGCSA-N 312.370 -0.246 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H](O)c1ccccc1 746195688 ATDHGZLWGKCEJP-ZDUSSCGKSA-N 317.301 -0.110 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 757797622 YYIOQUBXMCKFDY-ZYHUDNBSSA-N 323.397 -0.578 50 20 DBGD C[C@@H]1CC(=NNC(=O)C(=O)NN=C2C[C@@H](C)N(C)C2)CN1C 761792784 GHNLUOOTFPSNCH-NXEZZACHSA-N 308.386 -0.621 50 20 DBGD CC(C)OCc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764421388 NMBCSLBLNAPGRE-UHFFFAOYSA-N 309.322 -0.310 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COC[C@@H]1CCCO1 772132907 PHDDLKCHVXIQQD-ZJUUUORDSA-N 302.327 -0.329 50 20 DBGD O=C(CC(=O)NNC(=O)Cc1ccncc1)NCC(F)(F)F 779668627 FVROCWFSBZNUSF-UHFFFAOYSA-N 318.255 -0.160 50 20 DBGD COc1cccc(NNC(=O)c2cn(CC(=O)N(C)C)nn2)n1 780770319 UHBUAZLDYFISKO-UHFFFAOYSA-N 319.325 -0.473 50 20 DBGD CCN(CC(N)=O)CC(=O)NNC(=O)c1cccc(C#N)c1 789518768 RVUYVZCLGZLYKA-UHFFFAOYSA-N 303.322 -0.874 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1nc2ccccn2n1 791261644 JSPUPJQWRCCCCO-LDYMZIIASA-N 318.337 -0.552 50 20 DBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826934245 HHGLKNQKKBMIKI-LMLFDSFASA-N 301.343 -0.454 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nc(N(C)C)no1 843970944 NKEMCAKQIXALBJ-BDAKNGLRSA-N 311.342 -0.359 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCNC2=O)cc1 854511815 ZQSWJAJMXAMSMS-GFCCVEGCSA-N 305.334 -0.089 50 20 DBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 858523428 RWIQLRFWZGKWJK-VIFPVBQESA-N 305.400 -0.149 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cccnc1 858543165 FNAZGDQUNZEOIT-NSHDSACASA-N 319.365 -0.032 50 20 DBGD C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)c1cn[nH]c1 858704301 HENXOBVGQMZUFR-HTQZYQBOSA-N 315.355 -0.729 50 20 DBGD N#CCc1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460738 ISVZJYMOZVWICV-LBPRGKRZSA-N 300.318 -0.279 50 20 DBGD CCNC(=O)NC1(C(=O)NNC(=O)c2cn[nH]c2)CCCC1 862474856 RCWDGBSYNAZBLX-UHFFFAOYSA-N 308.342 -0.197 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C(C)C)N1CCCC1=O 869909101 JCDACIAMFNEKGV-CYBMUJFWSA-N 315.370 -0.556 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H]1C1OCCO1 888447335 OIPWIHFMYCOFRP-GFCCVEGCSA-N 309.102 -0.517 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 910152660 SGPPWDQKLGJFOG-SECBINFHSA-N 318.399 -0.767 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 910180582 NOVILXOKDSFJDW-BJDJZHNGSA-N 311.382 -0.106 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CS(C)(=O)=O 919684977 VWFSOMMYVATDJV-QMMMGPOBSA-N 318.326 -0.215 50 20 DBGD CCOC(Cn1cc(C(=O)NNC(=O)N(C)C)nn1)OCC 1115963778 LOZBTKGLTQGKQP-UHFFFAOYSA-N 314.346 -0.407 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCOC1CCOCC1 1116182244 ZINPDEKXKWHYFX-UHFFFAOYSA-N 303.315 -0.925 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 1116627052 JOAJAXKVSZPOBJ-UHFFFAOYSA-N 318.293 -0.348 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnnn2C)cc1 1325216427 AUMUFKNGCIWRLS-UHFFFAOYSA-N 302.294 -0.477 50 20 DBGD O=C(NN=c1cc[nH]cc1Cl)c1cnn(C[C@H](O)CO)c1 1328351365 WDXWSKDPVDKUNK-VIFPVBQESA-N 311.729 -0.537 50 20 DBGD Cn1ncc(C(=O)N2CC[C@H](B(O)O)C2)c1Br 1335429431 CAJVNPXWELYFPQ-LURJTMIESA-N 301.937 -0.129 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc2nnc(O)n2c1 1341307964 HPXBWAPXDFTOMS-UHFFFAOYSA-N 306.282 -0.879 50 20 DBGD C[C@H](CNC(=O)NNC(=O)N=c1cc[nH]cc1)S(C)(=O)=O 1350394245 KJKZRWNJPFSNRN-MRVPVSSYSA-N 315.355 -0.728 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2n[nH]cc2Br)N1 1520303722 WXTNYTPWQOIUSY-YFKPBYRVSA-N 316.115 -0.788 50 20 DBGD N[C@@H]1CCCn2nc(C(=O)NNC(=O)N3CCOCC3)cc21 1580190581 IFRYPEGMOJGYQJ-SECBINFHSA-N 308.342 -0.637 50 20 DBGD O=C(NNC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1CCN1 1580733123 MKAKYAGAYRKOHS-OLZOCXBDSA-N 316.361 -0.456 50 20 DBGD C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)NC(N)=O 1589793525 WCCJJHWDBRLFDI-SSDOTTSWSA-N 304.314 -0.243 50 20 DBGD Cn1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C(=O)O 1600966165 WXJUBFXOHGNVTE-ZETCQYMHSA-N 309.282 -0.845 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 1601553091 UBXVCHRVTMFSCQ-PSASIEDQSA-N 308.294 -0.283 50 20 DBGD O=C(O)[C@H](O)C1CCN(S(=O)(=O)CBr)CC1 1601683952 HMESIGPRQIEPSE-SSDOTTSWSA-N 316.173 -0.174 50 20 DBGD CNC(=O)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 1609286887 WJPSUXXPVWPAAE-UHFFFAOYSA-N 308.302 -0.443 50 20 DBGD O=C1CCC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)N1 270189485 BUHMKCJXYVMBGC-CABZTGNLSA-N 319.317 -0.358 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cnns1 494742458 NRVVFHKHATXFPA-UHFFFAOYSA-N 301.328 -0.176 50 20 DBGD CC(C)(C)OC(=O)NCC1(CC(=O)NNC(=O)CO)CC1 496920034 ATXBMCJQQDTAHW-UHFFFAOYSA-N 301.343 -0.179 50 20 DBGD O=C1[C@H](Oc2ccc(B(O)O)cc2)CCN1CC(F)(F)F 584909078 CGPYXDGLWXUELM-SNVBAGLBSA-N 303.045 -0.092 50 20 DBGD CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584937979 SUNOWNUTWXINLG-ZDUSSCGKSA-N 318.182 -0.255 50 20 DBGD CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584998129 ASVTXLIPJJQLIE-ZDUSSCGKSA-N 319.170 -0.758 50 20 DBGD O=C(CNCc1ccc(B(O)O)o1)N1Cc2ccccc2C1 585038584 CGUBGGFEJATYQL-UHFFFAOYSA-N 300.123 -0.409 50 20 DBGD CCN1C[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC1=O 585051193 XIPSKJSICMKFLT-JTQLQIEISA-N 301.111 -0.248 50 20 DBGD CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585055726 DIWXBQUWMGIWHT-LBPRGKRZSA-N 312.200 -0.014 50 20 DBGD O=S(=O)(c1cnn(CC(F)F)c1)N1CC[C@@H](B(O)O)C1 585058893 SRKXIPRXYOSYCP-SSDOTTSWSA-N 309.103 -0.614 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNC(=S)NCC1CCC1 727866961 IJCQKNUBHZFYGY-UHFFFAOYSA-N 311.367 -0.756 50 20 DBGD CN(C)CCCCC(=O)NNC(=O)CNC(=O)c1ccco1 729530428 CGBQTQIRNTUOFS-UHFFFAOYSA-N 310.354 -0.111 50 20 DBGD CC(CCCOc1ccccc1C(N)=O)=NNC(=O)C(N)=O 731923349 GYRSYVUOLQCXHQ-UHFFFAOYSA-N 306.322 -0.078 50 20 DBGD O=C(CO)NNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 755933221 IBROJLQSRPBZOT-UHFFFAOYSA-N 322.321 -0.696 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)c2cccn2C)cn1 770548901 IKKVLOVXVOOTHC-UHFFFAOYSA-N 303.278 -0.324 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(N)=O)cc1 771946411 JRZRIZISUJBDJX-QMMMGPOBSA-N 307.306 -0.112 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COC[C@H]1CCCO1 772132892 PHDDLKCHVXIQQD-NXEZZACHSA-N 302.327 -0.329 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nccn2ccnc12 772161895 YBAUBPLYMPCNLT-MRVPVSSYSA-N 305.294 -0.168 50 20 DBGD Cc1nc(Cn2cc(C(=O)NNC(=O)C3CCCC3)nn2)no1 782525952 GBGJJKWIEYFSJG-UHFFFAOYSA-N 319.325 -0.031 50 20 DBGD COC(=O)CCc1cccc(NC(=O)C(=O)NNC(C)=O)c1 786414377 MVISYNUNIWYBCN-UHFFFAOYSA-N 307.306 -0.102 50 20 DBGD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)Cc1cccnc1 799369976 SYQAGNHPENZBQW-BXKDBHETSA-N 305.338 -0.521 50 20 DBGD CC(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1 801187295 FMQLRYIMHFFBLM-VIFPVBQESA-N 307.306 -0.485 50 20 DBGD Cn1cc(C(=O)NN=Cc2ccc(S(N)(=O)=O)cc2)cn1 811644131 SJUDJHVJZWQISX-UHFFFAOYSA-N 307.335 -0.169 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNc1ccc(C)nn1 821154241 MROMLYUVLISBCI-BDAKNGLRSA-N 315.355 -0.777 50 20 DBGD CC(=NNC(=O)Cc1cccnc1)c1cn(CC(=O)O)nn1 825798592 PLOPHQHCXXLKMX-UHFFFAOYSA-N 302.294 -0.159 50 20 DBGD CC(C)CN1CCN(CC(=O)NNC(=O)C(C)C)[C@@H](C)C1=O 828988199 RXVWURMUWPEGSU-LBPRGKRZSA-N 312.414 -0.022 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)N1 845363388 HXTCXTBPLUCKGN-NSHDSACASA-N 311.363 -0.542 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN1CCN(C)C(=O)C1)C1CC1 855099860 PLKAZNJGCSQKJM-VIFPVBQESA-N 313.427 -0.946 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN1C(=O)CN(C)C1=O)C1CC1 855101721 DIJNCRZVHUANCW-ZETCQYMHSA-N 313.383 -0.826 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNc3ccncn3)CC2=O)cn1 861874377 YPUVQTHYYIZLTP-SECBINFHSA-N 301.310 -0.294 50 20 DBGD O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1CCC(=O)N1 862448852 HZSPRQMYPLSJAX-JTQLQIEISA-N 322.277 -0.600 50 20 DBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(-n2cnnn2)c1 863146735 UXCAELVZXSUTEG-LBPRGKRZSA-N 313.321 -0.219 50 20 DBGD COCCOCC(=O)NNC(=O)c1scc2c1OCCO2 869903059 HYHWYIQWDWYDKF-UHFFFAOYSA-N 316.335 -0.057 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc2c(nc1O)CCCC2 1116020566 PPHABQBKQKWAGZ-UHFFFAOYSA-N 320.349 -0.048 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)CC(F)(F)F)O1 1116269024 UWJLKMFRIRJDRU-PHDIDXHHSA-N 312.248 -0.698 50 20 DBGD O=C(NNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1cn[nH]c1 1118864426 PIGHATRYLDIDMT-WDEREUQCSA-N 309.326 -0.356 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=S)NC(C)C 1252383531 MYSJTMLWLGJMGO-UHFFFAOYSA-N 310.445 -0.438 50 20 DBGD COc1cc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1O 1261830140 LSAXOJJRATUXJA-VIFPVBQESA-N 307.306 -0.631 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCc2c(C)ncnc2O)n[nH]1 1322679807 SRZVBYHWFDMBLZ-UHFFFAOYSA-N 304.310 -0.084 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)N1 1329175662 ZBGVVIYDEKPNRW-ZRUFSTJUSA-N 310.354 -0.447 50 20 DBGD COC(=O)N1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1330304101 MAWYSRCQPWHAKF-UHFFFAOYSA-N 324.117 -0.580 50 20 DBGD O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)[C@@H]1CCC(=O)N1 1574513905 OEYJHJAXFXIOMA-YAPUSRSVSA-N 307.262 -0.583 50 20 DBGD O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CC[C@@H](B(O)O)C1 1593458528 WPGSWLSQNVCWBO-MRVPVSSYSA-N 323.143 -0.896 50 20 DBGD OB(O)[C@@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 1593497519 BIGJUBDXJQRUNI-SECBINFHSA-N 300.131 -0.197 50 20 DBGD CS(=O)(=O)c1ccc(NNC(=O)COCC(=O)O)cc1 1594174093 KAFVZEXFPZFHIY-UHFFFAOYSA-N 302.308 -0.366 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)COCC(=O)O)cc1 1594623804 JCKPGPNGZPWGES-UHFFFAOYSA-N 307.262 -0.814 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H](O)C[C@H]2C(=O)O)c1 1600511938 LAAAFKXXPUWOPI-NEPJUHHUSA-N 321.333 -0.724 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 1601635737 JUUYWWQZFMLFAB-UHFFFAOYSA-N 317.261 -0.957 50 20 DBGD C[C@@H](Oc1ccc(NC(=O)NNC(=O)CO)cc1F)C(=O)O 1604438100 FJMWMUVFNSAOKV-ZCFIWIBFSA-N 315.257 -0.177 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1 1606261114 ZYVKCAGKNROVTF-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD COc1cc(C(=O)O)ccc1NNC(=O)Cn1cnc(C#N)n1 1610287706 MUVBMFILQKKDIT-UHFFFAOYSA-N 316.277 0.000 50 20 DBGD COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362452 BAAZOISLBUNWPK-JZSSXWJLSA-N 308.737 -0.243 50 20 DBGD NC(=O)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 254330912 UKBOSZSFSNVAOV-UHFFFAOYSA-N 316.321 -0.467 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 264100992 HQGSJNDDRZFIDP-YFKPBYRVSA-N 306.369 -0.850 50 20 DBGD CCN(CCCNC(=O)NNc1cccnn1)S(C)(=O)=O 265474965 MLWRXCVCYIETLX-UHFFFAOYSA-N 316.387 -0.226 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)cc1F 272532706 ZDCHXUQHAVWOSM-UHFFFAOYSA-N 319.314 -0.200 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn3cccnc23)CC1 278540844 FKOPLHPPGJWIRP-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 278729963 VCLUUVXVVDDHQG-UHFFFAOYSA-N 323.309 -0.098 50 20 DBGD CCN1CCN(CC(=O)NCCSSC)C(=O)C1=O 285691549 MDOMTOIXVSTIGA-UHFFFAOYSA-N 305.425 -0.196 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)CC2CC2)c(=O)c1 294113571 KAXMHRZLHVNJIX-HNNXBMFYSA-N 307.350 -0.145 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1COC(=O)N1 296011414 NOSQKPHTUFUEGT-RNFRBKRXSA-N 316.314 -0.845 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)NC1CCCC1 584935106 YRAFOXSDGGUQQQ-JTQLQIEISA-N 304.155 -0.457 50 20 DBGD C[C@H](CCn1cncn1)NC(=O)c1ccc(B(O)O)c(F)c1 584960154 IVBNSYZNNFAXIJ-SECBINFHSA-N 306.106 -0.694 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 584965944 WHCZZLADPSRJHL-WDEREUQCSA-N 317.072 -0.106 50 20 DBGD COCCN1CCC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 585001088 QTVMSODZTULPKY-LBPRGKRZSA-N 324.161 -0.654 50 20 DBGD COCCOCCOCCCNCc1ccc(B(O)O)cc1 585037237 WTGCDURFVYIWJP-UHFFFAOYSA-N 311.187 -0.474 50 20 DBGD OB(O)c1ccc(CNCC2CCN(C3CCOCC3)CC2)o1 585045583 JGGCITPEMJIHIL-UHFFFAOYSA-N 322.214 -0.060 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ncccn2)CC1 731848962 PUJSPVCGWSLXFB-NSHDSACASA-N 306.370 -0.456 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)c2cccc(C#N)c2)CC1=O 750653504 VJAVUHSYNXKTKJ-NSHDSACASA-N 301.306 -0.267 50 20 DBGD CC1(C)Cc2cc(NC(=O)C(=O)NNC(=O)CO)ccc2O1 764420323 DPVHLIKMJQIGRN-UHFFFAOYSA-N 307.306 -0.522 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(N)=O)c[nH]1 772166082 AFKHYJVSNWJAEI-MRVPVSSYSA-N 324.337 -0.148 50 20 DBGD Cc1c[nH]cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1=O 781422235 MFMCWYBAXPPASD-UHFFFAOYSA-N 318.289 -0.533 50 20 DBGD CCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)NC)cn1 792400178 KRSPLMPMLPSFLW-UHFFFAOYSA-N 301.328 -0.448 50 20 DBGD CCCNC(=O)CCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792854995 LUIYZNAPOHGFPJ-LLVKDONJSA-N 319.427 -0.215 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCS(=O)(=O)CC1(C)C 794568684 UMKZYDLDBOESFO-UHFFFAOYSA-N 319.427 -0.311 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](S(N)(=O)=O)C1 799925438 QTEFJWKEQNYRCH-QMMMGPOBSA-N 306.388 -0.474 50 20 DBGD CC(C)n1ncc(C(=O)NNC(=O)N2CCN(C)CC2)c1N 807380300 SZSYYJSZGITRDE-UHFFFAOYSA-N 309.374 -0.352 50 20 DBGD C=CCNC(=S)NNC(=O)c1c(Br)nnn1C 813364339 NSNULVOQBRPDKV-UHFFFAOYSA-N 319.188 -0.128 50 20 DBGD C[C@@H]1[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CCN1C 827969950 XMRHGCXKWODFDK-NXEZZACHSA-N 314.386 -0.001 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@]1(O)CCOC1 840241828 WCJSMQKGNITJRM-LKFCYVNXSA-N 312.297 -0.108 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](CN)CC(C)C 841951162 FUYCBGQHYCFHBR-GHMZBOCLSA-N 304.391 -0.258 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCC[C@]1(O)CCCOC1 845715580 KAUBJCUDWISAKL-OAHLLOKOSA-N 322.365 -0.114 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)NCC(F)(F)F)n1 848033682 XWESSJSJRAZYBE-UHFFFAOYSA-N 322.291 -0.049 50 20 DBGD Cc1nn(CC(=O)NNc2nc3ccccc3n2C)c(=O)n1C 848381896 XEAFPGFTJDUCCK-UHFFFAOYSA-N 315.337 -0.080 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@@H](C3CCOCC3)C2)N1 858697644 UJUUNVLZRFMPIQ-NEPJUHHUSA-N 324.381 -0.246 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCC1=O 862453025 HVTLWVMTIWQLHA-SKDRFNHKSA-N 310.354 -0.941 50 20 DBGD O=C(CCc1cccc2c1OCO2)NNC(=O)[C@H]1CCC(=O)N1 862462270 VSQCJTQDUMWGKS-SNVBAGLBSA-N 319.317 -0.226 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc2c(c1)OCO2 862463187 ZSBNJKMHJJKZLI-WCBMZHEXSA-N 319.317 -0.055 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CSCCS1 913731528 MBDBEWQBHXPEFS-QMMMGPOBSA-N 303.409 -0.395 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1n[nH]c(O)n1 918277631 GJNPGJXRRBFKSA-QMMMGPOBSA-N 305.250 -0.889 50 20 DBGD Cc1nnc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 919673753 JVKFPGUEBHWFKX-ZCFIWIBFSA-N 319.368 -0.566 50 20 DBGD Cc1nnc(NNC(=O)C2(C(=O)NC3CC3)CCC2)nc1O 1115994470 WINXVNJOGSESMW-UHFFFAOYSA-N 306.326 -0.222 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1C 1116704150 UINYZZXSNWSDSC-UHFFFAOYSA-N 318.333 -0.332 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CC12CCSCC2 1118953521 GUUYRDCQSMBHMU-QMMMGPOBSA-N 306.409 -0.288 50 20 DBGD O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CC[C@@H](B(O)O)C1 1118976331 VUFGHPLSTGLIBM-SNVBAGLBSA-N 303.083 -0.281 50 20 DBGD CCc1noc2ncc(C(=O)NNC(=O)C(=O)NC3CC3)cc12 1319383051 JUOPOFHZDUKKOM-UHFFFAOYSA-N 317.305 -0.175 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)NC2CCCC2)nn1 1322133230 LWQZGRIOTNKYDO-UHFFFAOYSA-N 323.357 -0.747 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC[S@@](=O)C(C)(C)C)cn1 1322970129 RLDRHZKNVNQYOU-OAQYLSRUSA-N 315.399 -0.089 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCSCC1 1332076801 BHOJVAVXQXAAOC-MNOVXSKESA-N 316.427 -0.209 50 20 DBGD CC[C@@H]1C[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)CCO1 1348437426 WUOUTPNVQJBESB-NXEZZACHSA-N 306.384 -0.226 50 20 DBGD O=C(NN=C1CCS(=O)(=O)C1)[C@H]1CN2CCC[C@H]2CO1 1549316495 GYINRGIQPVLCQS-WDEREUQCSA-N 301.368 -0.860 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)[C@H]1CCCC[C@H]1C(=O)O 1601555941 MSJOXDACSKUONQ-IVZWLZJFSA-N 300.311 -0.560 50 20 DBGD O=C(C1CC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1784899508 CCZQLJKVNHLOOY-SMDDNHRTSA-N 316.785 -0.174 50 20 DBGD CC(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841348498 UUNRBMIWVNIBSS-MNOVXSKESA-N 318.801 -0.194 50 20 DBGD CCn1c(NNC(=O)CNC(C)=O)nc2ccccc2c1=O 176364762 LNLCNRRTUGGSSQ-UHFFFAOYSA-N 303.322 -0.004 50 20 DBGD C=CCCOCCNC(=O)NNC(=O)CNC(=O)c1ccco1 270467425 UYGGUNSHPQZPAI-UHFFFAOYSA-N 324.337 -0.068 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)NC)nc1 274722292 SLEHVOIRMITVML-UHFFFAOYSA-N 315.355 -0.704 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)N1CCN(C)CC1 278613867 LXXJYMSOBMLQHF-JTQLQIEISA-N 323.353 -0.614 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 494708381 BRHRCSXIROIGQV-UHFFFAOYSA-N 316.339 -0.102 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 496663835 PYJIUUKILXKRNV-HTRCEHHLSA-N 316.314 -0.845 50 20 DBGD CN(C)[C@H](Cn1cccn1)C(=O)Nc1cccc(B(O)O)c1 584913364 UVUVTSAKELUUHX-CYBMUJFWSA-N 302.143 -0.868 50 20 DBGD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(B(O)O)ccc1F 584980099 QDICVYBMSVRCOF-PLMOITTCSA-N 320.129 -0.769 50 20 DBGD CN1CC[C@]2(CCN(C(=O)c3cc(B(O)O)ccc3F)C2)C1 584992585 PTPWBQWTEHYTLP-HNNXBMFYSA-N 306.146 -0.327 50 20 DBGD CN1CCC(F)(F)[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 585002892 HFAMVGGFDUXWPB-NSHDSACASA-N 312.125 -0.317 50 20 DBGD CC(C)(C)N1C[C@@H](CNC(=O)c2ccc(B(O)O)cc2)CC1=O 585005489 IEBFZADEBAMRLO-LLVKDONJSA-N 318.182 -0.257 50 20 DBGD CCOC[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCO1 585010679 WOHPAVUASZWAJQ-NSHDSACASA-N 311.118 -0.617 50 20 DBGD C[C@H](CC(=O)NCB(O)O)S(=O)(=O)c1ccc(F)cc1 585059996 IWEDSTPDAJKCJA-MRVPVSSYSA-N 303.120 -0.494 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 733359635 UUGHNZSSGPNFFC-SNVBAGLBSA-N 322.340 -0.112 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H](NC(=O)COC)C(C)C 741212913 UADIYHIFQBZWAQ-NSHDSACASA-N 318.374 -0.860 50 20 DBGD CCN1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C1 741464134 MWDBCLMHOUIGDO-UWVGGRQHSA-N 304.416 -0.242 50 20 DBGD CC(C)C(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742476512 FEELCOZEJMATST-IQIPOGNMSA-N 323.349 -0.658 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)cc1 745834119 LXQSIYZHLTYLOM-UHFFFAOYSA-N 317.323 -0.386 50 20 DBGD Cn1ccnc(NC(=O)NNC(=O)c2ccccc2O)c1=O 757906150 KACBZAMSCRIARS-UHFFFAOYSA-N 303.278 -0.048 50 20 DBGD C[C@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCOC1 758356763 MLZQVMMPEVEIGZ-AWEZNQCLSA-N 306.322 -0.615 50 20 DBGD COC[C@@H](O)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 766134236 CAWWJQKJCSIORU-LLVKDONJSA-N 310.306 -0.693 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1cccc(C(F)(F)F)c1=O 768247962 QNADYUCGSDTIHS-UHFFFAOYSA-N 321.255 -0.215 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN[C@H](CO)C2CC2)c1 771809130 QXWRWKVNHDTDOL-CYBMUJFWSA-N 302.334 -0.320 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)C(C)(C)C 771904036 NZFNWIILIKUURI-QMMMGPOBSA-N 301.343 -0.362 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)C(C)(C)C)CCN1S(C)(=O)=O 776323856 XQHIIVYMLJTLBA-VIFPVBQESA-N 320.415 -0.261 50 20 DBGD COC(=O)CNC(=O)NN=C(C)c1ccc(-n2cnnn2)cc1 779816940 NWKWSMVHFKKWIU-UHFFFAOYSA-N 317.309 -0.142 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)C1(C(=O)NC2CC2)CC1 798316745 SGZURIUZBXNQDO-UHFFFAOYSA-N 308.260 -0.062 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)N2CCCC2)C1 805807493 IJSAACFKZUIYSB-RYUDHWBXSA-N 310.398 -0.123 50 20 DBGD CCN(CCO)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 823834024 OUEIPIYNTXGQFF-SDDRHHMPSA-N 311.382 -0.105 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)nn1 833086087 HGHJLCCTYBXSTL-YUMQZZPRSA-N 307.310 -0.090 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CCCCO1 833246864 SXJPSEHDCMHCPI-KOLCDFICSA-N 321.337 -0.521 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)c1ccc[nH]1 845105846 DOZOHOICNIQURC-UHFFFAOYSA-N 304.310 -0.830 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H](C)NC(N)=O)cc1 847293334 FVBVXIOOPSPBRV-VIFPVBQESA-N 321.337 -0.472 50 20 DBGD C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)N1C(=O)CCC1=O 856025559 UDEMVDFGLOUVRI-YFKPBYRVSA-N 311.216 -0.156 50 20 DBGD C[C@@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1Br 857734590 UKBOVFHSYUYFAR-ZTNVNUCQSA-N 304.144 -0.126 50 20 DBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCCN)cc1 857764628 VAVOQVLZLFXWER-UHFFFAOYSA-N 314.367 -0.018 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC(c3cccnc3)=NO2)N1 862459357 RWBNFFPKXAHQTB-GXSJLCMTSA-N 317.305 -0.999 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NNC(=O)c1cn[nH]c1 862467512 XORIFSVKCMIOPF-MRVPVSSYSA-N 313.314 -0.944 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnc2n1CCOC2 905430682 ZXPBGITXSVACLY-GFCCVEGCSA-N 321.381 -0.168 50 20 DBGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)C2CCCC2)CC1 914843818 BPOFSXSYWVAVEM-UHFFFAOYSA-N 317.411 -0.004 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(-c2ncco2)c1 1320520809 DKYNNFAQCJQJCR-UHFFFAOYSA-N 304.262 -0.580 50 20 DBGD COc1nccnc1NNC(=O)C(=O)Nc1c(C)c(C)nn1C 1320554826 NEXXVKSZVYZBSX-UHFFFAOYSA-N 319.325 -0.083 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1ncnn1C 1320680668 MIAMJZIOBQONIP-RKDXNWHRSA-N 314.346 -0.742 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 1325376251 BQAZZZSKVYMIFH-UHFFFAOYSA-N 307.262 -0.911 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccc(Cl)cc1O 1328589363 KETAZNMEBWPTMD-UHFFFAOYSA-N 322.712 -0.018 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NNc2cc(Cl)ccn2)N1 1328718977 QEOBAOFCAUMUOT-ZETCQYMHSA-N 312.717 -0.329 50 20 DBGD O=C(NNS(=O)(=O)c1cn2c(n1)CCCC2)c1cn[nH]c1 1331736971 RBIYDTHIZGGFEV-UHFFFAOYSA-N 310.339 -0.434 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1332349159 WJVUXUQVQJHWOO-NTSWFWBYSA-N 317.289 -0.488 50 20 DBGD N#CCOc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1 1338863655 PESVNWNOJJKONJ-UHFFFAOYSA-N 316.317 -0.443 50 20 DBGD COCCOCC(=O)NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2 1574163180 HIZZBCSJUNOMHV-BHDSKKPTSA-N 314.338 -0.312 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@@H](C)N2CCNCC2=O)cc1 1578252661 JLMZSXQXIVLWEU-LLVKDONJSA-N 318.377 -0.170 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]([C@@H]2CCNC2)C1 1580818838 RODLERHIHSXZCR-KGLIPLIRSA-N 302.183 -0.172 50 20 DBGD C[C@H](C(=O)O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 1588580681 TUAJJWVQJFJIHK-MRVPVSSYSA-N 319.273 -0.417 50 20 DBGD CC(C)[C@@H](C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1588808021 NDTLGGURQDYWGH-SECBINFHSA-N 308.294 -0.476 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@@H](C[C@@H]1CCCO1)C(=O)O 1590939550 ZKTWNDYQMDZNBK-UWVGGRQHSA-N 301.343 -0.598 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cccc(C(=O)O)n2)cn1 1600932361 NUEZQDCSIDKMGS-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD CC(C)[C@H](CNC(=O)NNC(=O)c1cnsn1)C(=O)O 1602984987 MQYOUWQIAXRJEB-LURJTMIESA-N 301.328 -0.161 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1607041624 HDELFEBWVPJEQB-SNVBAGLBSA-N 314.305 -0.003 50 20 DBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)C2CCOCC2)n1 1608103454 RHTZCZOAPCIUQV-UHFFFAOYSA-N 311.298 -0.302 50 20 DBGD CC(=O)N[C@@H](CSCC(=O)NNC(=O)C(C)(C)C)C(=O)O 1609622517 ARCYKBHQUWVRQD-QMMMGPOBSA-N 319.383 -0.498 50 20 DBGD Cc1nnc(NNC(=O)CNC(=O)c2cccc(F)c2)nc1O 23311078 JMICNKVLLJXELV-UHFFFAOYSA-N 320.284 -0.102 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 55380537 FMPNPYCBMUVSAP-AWEZNQCLSA-N 322.296 -0.240 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccccc1OCC(N)=O 139634832 OGAKRZJAYCAYBO-UHFFFAOYSA-N 324.337 -0.469 50 20 DBGD C=C(Br)CNC(=O)NNC(=O)C(=O)N1CCCC1 195017145 GPPJQHMMURRCIK-UHFFFAOYSA-N 319.159 -0.152 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1 270885671 BOQBWXPENSVDJR-UHFFFAOYSA-N 310.285 -0.447 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccccc2)O1 281511874 GTVOFGSCHYEJEB-MNOVXSKESA-N 306.322 -0.450 50 20 DBGD COCCN(C)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 293567164 IOYHHVGNMSZMDD-UHFFFAOYSA-N 305.338 -0.206 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@H]2C)c(OC)c1 496574484 XLCZBKKYYUPUJU-CPCISQLKSA-N 323.305 -0.038 50 20 DBGD CC(C)C(=O)NNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 497023552 UUUBAOGJIVXIPN-UHFFFAOYSA-N 301.343 -0.228 50 20 DBGD C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cccc(B(O)O)c1 584988714 SHMNOZFPKNISQL-IUODEOHRSA-N 318.182 -0.698 50 20 DBGD Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CC[C@H](B(O)O)C1 585079332 YRYWEZPQQVBLMP-JTQLQIEISA-N 318.142 -0.330 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNc2ccccc2)c(O)nc1=O 729513936 BGAZJDWCSPCXSM-UHFFFAOYSA-N 317.305 -0.641 50 20 DBGD CC(C)(NC(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 736337473 QBPJTAKOUJOZDY-UHFFFAOYSA-N 312.282 -0.797 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)N1CCCC1 742031664 DRMPTPAARFYQGC-UHFFFAOYSA-N 306.388 -0.747 50 20 DBGD CCC(=O)N1CCC(=NNC(=O)Cc2cc(O)nc(O)n2)CC1 743445896 KFGAGXRGKLEMMV-UHFFFAOYSA-N 321.337 -0.065 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2cccn2C)n1 756644548 FQOCAVIYLGELTI-UHFFFAOYSA-N 320.309 -0.139 50 20 DBGD Cc1cnc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1 758046881 UPINGHWCZBIASX-SECBINFHSA-N 314.367 -0.603 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 761136769 WPAHOAMLFQRZKM-UHFFFAOYSA-N 310.310 -0.606 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nccnc1C 783512824 FRGXGHXWEJYJED-SNVBAGLBSA-N 311.367 -0.005 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)c2[nH]nnc2C)cc1 790069499 BJNYIFJHHVHVTB-UHFFFAOYSA-N 304.310 -0.005 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 794869710 JICHMNDEPQHIMH-WDNDVIMCSA-N 314.345 -0.511 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCc2cn[nH]c2)n1 812521305 HKTSTJVWZMSMCX-UHFFFAOYSA-N 305.342 -0.204 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)OC)C1 824177989 XSAJKNQRFSMNAB-OPRDCNLKSA-N 317.342 -0.680 50 20 DBGD NCc1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 831311678 LXSAUFNEGXNAOW-UHFFFAOYSA-N 319.365 -0.402 50 20 DBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)s1 833311652 YCXOQJZYRYHKBJ-LURJTMIESA-N 300.292 -0.377 50 20 DBGD CCCN1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 840444430 GJIUIDHMDBRDEU-JTQLQIEISA-N 305.338 -0.085 50 20 DBGD C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C 840877426 XCMYWAZAZKWIME-SNVBAGLBSA-N 314.386 -0.048 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC[C@]1(O)CCCOC1 845721434 CSSYJFBYSNCHHJ-MISXGVKJSA-N 315.370 -0.327 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)CC(F)(F)F 855000902 QGFFMNKXTKJQKD-UHFFFAOYSA-N 305.278 -0.632 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCCS1(=O)=O)C1CC1 855094725 FXONTUYMNZWJIG-IONNQARKSA-N 305.425 -0.143 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cccc3c2OCO3)N1 858150180 LJYWXFNFLHHFAY-VIFPVBQESA-N 320.305 -0.476 50 20 DBGD CNC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 860335452 PEHKENYWHZYXHS-SNVBAGLBSA-N 319.321 -0.523 50 20 DBGD COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 862456313 OFYPQDVMOKXSDO-OPRDCNLKSA-N 311.338 -0.608 50 20 DBGD Cc1nc2cccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c2[nH]1 862460828 HGGVCMGWSDQWSC-SNVBAGLBSA-N 301.306 -0.089 50 20 DBGD Cn1nc(C(F)(F)F)cc1C=NNC(=O)CS(C)(=O)=O 863183790 MZKHAIPRINFFGH-UHFFFAOYSA-N 312.273 -0.066 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(F)c1 863464238 LDMWUHBVVAOFEW-UHFFFAOYSA-N 317.342 -0.303 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 863465968 NSXWGWFODCMJAE-NWDGAFQWSA-N 321.358 -0.146 50 20 DBGD COC(=O)[C@@H](C)N(C(=O)c1cccc(B(O)O)c1)C1CCC1 863880296 UWIOGMBVMQNRBD-SNVBAGLBSA-N 305.139 -0.077 50 20 DBGD CC[C@H]1COCCN1CCNC(=O)c1ccc(B(O)O)cc1 874710506 QGJZWUJXOWGHKQ-AWEZNQCLSA-N 306.171 -0.793 50 20 DBGD CC(=NNC(=O)C(=O)NC1CC1)c1ccc(-n2cnnn2)cc1 918710977 MJHQLINVDZZPSP-UHFFFAOYSA-N 313.321 -0.219 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)c1ccccc1 920304574 RFDZHPWBWPPSSK-UHFFFAOYSA-N 304.306 -0.220 50 20 DBGD COc1ccc(C(=O)NNC(=O)Cn2cnnn2)cc1OC 1317725045 ZKTYGNWWOCLCJQ-UHFFFAOYSA-N 306.282 -0.849 50 20 DBGD O=C(NCCc1ccncc1)NNC(=O)C(=O)N1CCCC1 1319252214 QOSWQUMLCQLQIO-UHFFFAOYSA-N 305.338 -0.423 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1cccnn1 1320338773 FJLNCLDXYFKDGC-FUAUIPCOSA-N 317.305 -0.918 50 20 DBGD N#CCCCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1324037545 QHGCNEHFGDIKGP-SNVBAGLBSA-N 316.383 -0.022 50 20 DBGD CCc1csc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)n1 1331326823 PBGNZMUIYORASQ-UHFFFAOYSA-N 322.350 -0.243 50 20 DBGD COc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)on1 1337728861 XZRXZBBQXRGUQV-MRVPVSSYSA-N 303.340 -0.211 50 20 DBGD O=C1NCCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1593408764 PFIGNQUIGASBHO-JTQLQIEISA-N 301.310 -0.164 50 20 DBGD Cc1ccc(NNC(=O)Cn2ncn(C)c2=O)cc1C(=O)O 1600461115 DZFSRHQOQLTFSI-UHFFFAOYSA-N 305.294 -0.268 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)NC[C@@]2(C(=O)O)CCOC2)cn1 1600946652 NRRBTZVHSUQOLL-BJTBTHHMSA-N 304.306 -0.065 50 20 DBGD O=C(NNc1ccccc1C(=O)O)c1cnn(C[C@H](O)CO)c1 1601561742 XURPVSPTYXOHOJ-JTQLQIEISA-N 320.305 -0.309 50 20 DBGD CC(C)NC(=O)NNC(=O)COCc1ocnc1C(=O)O 1603902937 XJWUPLDIWUOWEF-UHFFFAOYSA-N 300.271 -0.372 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1606698118 GYOQCQSLACHDBD-UHFFFAOYSA-N 318.219 -0.299 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1606899583 FQZNGPHSCFXZAB-HLTSFMKQSA-N 303.315 -0.769 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)o2)n[nH]1 1609395435 GLQYPUOEOWANLJ-UHFFFAOYSA-N 302.254 -0.434 50 20 DBGD C[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1801951282 AZIQQMGKRBJJFY-QUARPLMYSA-N 304.774 -0.395 50 20 DBGD CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842764138 UYRWPCMXLMPOFB-UHFFFAOYSA-N 317.349 -0.478 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CC1 10213870 UZIKSBCLOOKXHG-UHFFFAOYSA-N 319.317 -0.113 50 20 DBGD CN(C)CC(=O)N1CCN(S(=O)(=O)CCCCl)CC1 37842786 UCOSWDTUXXMQLA-UHFFFAOYSA-N 311.835 -0.349 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)NC(N)=O)c1 49984254 ZRSOCIDGEKFKAJ-JTQLQIEISA-N 308.338 -0.114 50 20 DBGD Cc1nn(C)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 172155997 LQAKMEOVDOLESA-QWRGUYRKSA-N 323.397 -0.011 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)CCc2ccccc2)c1=O 181266756 PKOGZMYJSWZAIW-UHFFFAOYSA-N 303.322 -0.638 50 20 DBGD Cc1cc(C(=O)NNC(=O)CSc2nnnn2C2CC2)[nH]n1 269016627 IRUVVBLDRTUBDR-UHFFFAOYSA-N 322.354 -0.407 50 20 DBGD O=C(NNC(=O)[C@H](O)CCc1ccccc1)C(=O)N1CCCC1 271047164 PJTAXWONHFGYSB-CYBMUJFWSA-N 319.361 -0.250 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(F)c1C 272389119 CMDAAOTUGDQEPN-UHFFFAOYSA-N 319.314 -0.200 50 20 DBGD C[C@@]1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCOC1 272671213 WBBSXPRKIPNNPY-CQSZACIVSA-N 309.322 -0.027 50 20 DBGD O=C(NNS(=O)(=O)c1ccc2c(c1)OCO2)[C@@H]1CCCO1 292176728 XUYQVXTVWMFOCL-JTQLQIEISA-N 314.319 -0.096 50 20 DBGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)C1CC1 298312323 JBQLFGIQBYPJJH-UHFFFAOYSA-N 312.351 -0.693 50 20 DBGD CCOC(=O)NNC(=O)CCCC(=O)NNC(=O)OCC 490688176 XUUXAUPBXVZHPD-UHFFFAOYSA-N 304.303 -0.289 50 20 DBGD CCOC(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 493930533 VCSBZSJWTWFHFX-UHFFFAOYSA-N 314.386 -0.046 50 20 DBGD Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)CC2 584950033 JATMZEONMRDNKW-LLVKDONJSA-N 314.154 -0.741 50 20 DBGD CN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(B(O)O)c(F)c1 584969746 IORTWRWIJVAKDQ-SECBINFHSA-N 309.024 -0.499 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)[C@@]12CCCO2 584975704 NDVJTEANCWTZNG-LZWOXQAQSA-N 319.166 -0.177 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(n2cnnc2O)CC1 584984774 BZOWGWZWUIAPMD-UHFFFAOYSA-N 316.126 -0.859 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@H](B(O)O)C2)C1=O 585076843 ZTNBNLJWSSTWEH-SECBINFHSA-N 311.147 -0.828 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(C#N)c1 729052846 ZBXHNSXGPMARPD-UHFFFAOYSA-N 324.362 -0.063 50 20 DBGD NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NNC(=O)C1CC1 733198420 FXQSJXBNADBLAG-AWEZNQCLSA-N 316.361 -0.372 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c1 738106909 QOQJZMWSQNUSTQ-GHMZBOCLSA-N 307.306 -0.025 50 20 DBGD Cc1[nH]nc(S(=O)(=O)NNC(=O)NCC2CC2)c1C(=O)O 738829103 KBQQGDFBTWHOKS-UHFFFAOYSA-N 317.327 -0.681 50 20 DBGD CCCN(CC)CCNC(=O)NNC(=O)C(=O)N1CCCC1 746780064 MDWWPROMXACZOA-UHFFFAOYSA-N 313.402 -0.329 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2CCNC(=O)C2)cc1 754450191 IPSSVQSOVDCHEE-JTQLQIEISA-N 320.349 -0.219 50 20 DBGD CSCCNC(=S)NNC(=O)CN(C)C(=O)C1CC1 770247250 NTXIRYLQULVZRT-UHFFFAOYSA-N 304.441 -0.287 50 20 DBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)c1ccncc1 771713761 PFFBVYRKBWXSMV-UHFFFAOYSA-N 314.301 -0.022 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](SC)[C@H](N(C)C)C1 775999643 HZUOPWCLTJTKKQ-AXFHLTTASA-N 302.444 -0.090 50 20 DBGD COc1cc(CCC(=O)NNC(=O)CO)cc(OC)c1OC 777781821 KZGHTCKYZTZFBP-UHFFFAOYSA-N 312.322 -0.215 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 814632561 QBOSZSQOCKOKMU-UHFFFAOYSA-N 319.321 -0.278 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H](C(=O)O)C[C@H]1C 814835005 DOEYKNKEPHDSBE-VGMNWLOBSA-N 319.383 -0.083 50 20 DBGD CCc1nncn1CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826109569 ZIFIHODNJQSIFB-NXEZZACHSA-N 310.358 -0.404 50 20 DBGD NS(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)C2CCC2)c1 827215947 IDHBQCMDICEWOK-UHFFFAOYSA-N 313.335 -0.399 50 20 DBGD COC(=O)[C@H]1C[C@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)C1 830870921 FHKRHCZIWMXYNN-UWVGGRQHSA-N 315.370 -0.964 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 842589058 HEACVAHWVVVLPK-WPRPVWTQSA-N 315.351 -0.175 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 849193757 AYYAKHHXAJYZEH-SNVBAGLBSA-N 314.367 -0.790 50 20 DBGD CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)c1cccs1 852037409 QEPVRUMQTIDTAR-QMMMGPOBSA-N 314.367 -0.157 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(F)cc3nn[nH]c23)CC1 854379009 LGSNYWGLJRQAAD-UHFFFAOYSA-N 321.316 -0.301 50 20 DBGD Cn1nncc1NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 857273653 UCLAQTUCHHBXEY-ZCFIWIBFSA-N 306.248 -0.189 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(Cl)n1 857325740 ITTDAXAGVLPAIW-UHFFFAOYSA-N 305.743 -0.069 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1CN(C2CCCCC2)C1 863465909 MITVOZAPUXEPQH-UHFFFAOYSA-N 317.411 -0.557 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N1CC[C@@H](B(O)O)C1)C2 864231730 RBVBSAXTWPHZSV-QCNOEVLYSA-N 308.143 -0.295 50 20 DBGD CN(C)N(C(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)[C@H]1CCS(=O)(=O)C1 908278724 KIERTAIWAJAZQU-LUTQBAROSA-N 300.380 -0.296 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1sccc1S(=O)(=O)N(C)C 910168964 WKUMEVPQCVXGNI-QMMMGPOBSA-N 321.424 -0.044 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)CN1CCCC1=O)CCC2 913730242 NNMOGAFCYUVAST-UHFFFAOYSA-N 305.338 -0.708 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)cs1 913901003 JMGULNDRXPAEDG-UHFFFAOYSA-N 314.348 -0.202 50 20 DBGD COc1ccc(NC(=O)NN[C@@H]2CCS(=O)(=O)C2)cn1 918542507 ZECBXNDQBQZLLR-SECBINFHSA-N 300.340 -0.097 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 923594104 GITZGKBRUGRFED-GFCCVEGCSA-N 304.130 -0.667 50 20 DBGD CC1(C)CNC(=O)[C@H]1NCC(=O)NNC(=O)c1cccs1 931661704 RVUGUIXPLKJROW-SNVBAGLBSA-N 310.379 -0.377 50 20 DBGD CS(=O)(=O)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)s1 1118949816 YKCKBIXIYMGWCU-MRVPVSSYSA-N 315.376 -0.120 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@H](O)c2cnn(C)c2)n1 1256332593 ULGCUBXMTNLEFV-LBPRGKRZSA-N 318.337 -0.199 50 20 DBGD Cc1nnc(CNC(=O)NNC(=O)c2ccccc2O)n1C 1318329937 WRKRMHRHQGRIND-UHFFFAOYSA-N 304.310 -0.027 50 20 DBGD CCNC(=O)CCC(=O)NNc1nc(O)c2cnn(C)c2n1 1319293388 WKSSCCINMLHHNG-UHFFFAOYSA-N 307.314 -0.572 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 1322804801 BZDINTLCPYBGBK-UHFFFAOYSA-N 313.379 -0.446 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cncc(Br)c1 1325507351 XWQNOQLMSOCGJV-UHFFFAOYSA-N 301.100 -0.050 50 20 DBGD CC(=O)NCC(C)(C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1326761796 KZPGPNQDEFQCQX-UHFFFAOYSA-N 321.341 -0.326 50 20 DBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1329572204 XFMKHELUSVTJMS-MRVPVSSYSA-N 315.355 -0.948 50 20 DBGD C[C@@]1(NNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)CCS(=O)(=O)C1 1347558958 XXOPZFLHBFLKLU-BTQIBKBOSA-N 303.384 -0.313 50 20 DBGD Cn1cc(N2CC[C@@H](NC(=O)c3ccc(B(O)O)cc3)C2)cn1 1351790109 HWRCFKFYCKBQFP-CYBMUJFWSA-N 314.154 -0.891 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CN3CCN2C[C@H]3C)cc1 1520729449 QECIZUYPZJWSGK-BXUZGUMPSA-N 318.377 -0.156 50 20 DBGD COCC[C@H](N)C(=O)NNC(=O)NCCc1cccs1 1578998428 YPECLRLXJLLSDN-JTQLQIEISA-N 300.384 -0.015 50 20 DBGD O=C(NNC(=O)c1cccnn1)N[C@H]1CNCCC1(F)F 1580736957 FDIJBGGKXDGNAA-QMMMGPOBSA-N 300.269 -0.582 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 1599248358 WKNDCJZGBYNLLO-UWVGGRQHSA-N 302.327 -0.312 50 20 DBGD O=C(N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)c1cccc(B(O)O)c1 1601576401 UWYBSUTZTAOQCZ-WFFHOREQSA-N 303.123 -0.405 50 20 DBGD COC(=O)N(C)NC(=O)NCc1nc(-c2nn[nH]n2)cs1 1604949548 CUADOYISUFVNCG-UHFFFAOYSA-N 312.315 -0.264 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1cccc(C(=O)O)c1 1610655340 MUXRPLRRXAXTRJ-SECBINFHSA-N 306.278 -0.184 50 20 DBGD Cn1nc(C(=O)O)cc1C=NNC(=O)C(=O)Nc1ccccn1 1776049418 OACAHCPLNINPLJ-UHFFFAOYSA-N 316.277 -0.398 50 20 DBGD O=C1NC(=O)C2(CCN(S(=O)(=O)CCCCl)CC2)N1 37842771 OHAXZIMKNZZOPE-UHFFFAOYSA-N 309.775 -0.381 50 20 DBGD C[C@@]1(NNC(=O)NCCn2ccnc2)CCS(=O)(=O)C1 43311507 PVKBVRNHHQPFMO-LLVKDONJSA-N 301.372 -0.736 50 20 DBGD O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)NC1CC1 64428985 RWLNICJYPLUQLJ-UHFFFAOYSA-N 302.290 -0.225 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)Cc1cccnc1 264137342 XEMALCXEROYGJR-GFCCVEGCSA-N 321.381 -0.325 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)CN1CCCCC1=O 264438383 BLQDRXVNNXFSAQ-UHFFFAOYSA-N 321.333 -0.069 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCNC(=O)OC 265846306 CFLWHJSDYKBNSC-UHFFFAOYSA-N 316.358 -0.425 50 20 DBGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NN(C)C(N)=O)c1 271406002 WKUDRHVSLCDDPU-UHFFFAOYSA-N 318.330 -0.221 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cncnc2)C[C@H](C)O1 273645489 DMXPZNHUNKDACK-QWRGUYRKSA-N 307.354 -0.263 50 20 DBGD O=C(NNC(=O)C1(O)CCC1)c1ccc(-n2cnnn2)cc1 274609581 NVCXXNDICBCPEW-UHFFFAOYSA-N 302.294 -0.662 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNc2cnccn2)c(=O)c1 279278915 LHSKMWSKMRYTRT-AWEZNQCLSA-N 303.322 -0.159 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)CNC(=O)c1ccco1)OC 290622477 DLYYHUVEVFPQEC-VIFPVBQESA-N 312.326 -0.235 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1cnnn1 298193498 KHWPTRCVGTZCDN-MRVPVSSYSA-N 308.273 -0.573 50 20 DBGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)OC)ccnc12 495367409 PZKFEZHZDMIFLG-UHFFFAOYSA-N 307.266 -0.093 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](C(F)(F)F)[C@H]1CO 584989502 FHWMQDDPGRUKLT-GHMZBOCLSA-N 317.072 -0.248 50 20 DBGD N#Cc1ccc(S(=O)(=O)NCB(O)O)cc1C(F)(F)F 585054885 SNLUBWZWBWGJQJ-UHFFFAOYSA-N 308.046 -0.133 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)nc1 731219195 SWNKHTVRPGUXID-UHFFFAOYSA-N 316.339 -0.326 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCC[S@@](C)=O)n1 745848394 MGLANAQMXKJBLT-HXUWFJFHSA-N 301.372 -0.791 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCN1 760282579 PHXBIFZUNQRSJJ-SECBINFHSA-N 309.297 -0.122 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1c[nH]nc1C 761156074 MUTZZNFJXRMYJD-UHFFFAOYSA-N 317.371 -0.801 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NN=C1CCS(=O)CC1 761805268 YKQBRDRSEGQMOJ-UAPALYRASA-N 301.412 -0.031 50 20 DBGD COc1nccnc1NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 764481820 MOPFSUIIYCHTPR-UHFFFAOYSA-N 316.281 -0.987 50 20 DBGD CCOC(=O)/C(C#N)=C\NNc1nc(O)c2cnn(C)c2n1 769775102 FFOJIVIENCZLDQ-ALCCZGGFSA-N 303.282 -0.044 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1nccnc1C(C)C 772847896 JOFWJYAYAKERSB-UHFFFAOYSA-N 308.342 -0.705 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)COc1ccccc1OC 780848092 JGYDNLAVCFZUGB-UHFFFAOYSA-N 309.322 -0.252 50 20 DBGD Cc1nc(C)c(CCC(=O)NNC(=O)c2cc[nH]n2)c(O)n1 857306501 XZVMJUMWNCOCFE-UHFFFAOYSA-N 304.310 -0.084 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCOc2ccccc2F)N1 858087774 KPUAQNWOXFBQAN-SNVBAGLBSA-N 324.312 -0.187 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C 862457602 LYKPUCMRPQWOQF-LLVKDONJSA-N 321.333 -0.192 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H](O)c2ccc(Cl)cc2)N1 862460849 HMMZKFMFDMCROV-KOLCDFICSA-N 311.725 -0.201 50 20 DBGD CC(C)Oc1cncc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863462231 MATDGAWYDNRMFK-UHFFFAOYSA-N 315.351 -0.326 50 20 DBGD CCOC(=O)/C(C#N)=C/NCCCN1CCCS1(=O)=O 864349364 NHBUGYSFNQUSOH-ZHACJKMWSA-N 301.368 -0.028 50 20 DBGD COCCOCC(=O)NNC(=S)NCC1CCN(C)CC1 865244176 GBQBBFUXKGTFLF-UHFFFAOYSA-N 318.443 -0.514 50 20 DBGD Cn1cc(C(=O)NNC(=O)CN2CSCCSC2)cn1 900745191 IIROSOIGJDMUPO-UHFFFAOYSA-N 315.424 -0.122 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnn1CCN(C)C 911501943 BAWFTHVHDNJUFI-MNOVXSKESA-N 309.370 -0.369 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)c1 914712550 LHTGHRXUPPSSOI-JTQLQIEISA-N 321.333 -0.057 50 20 DBGD O=C(Cc1ccc2c(c1)OCO2)NNC(=O)CN1CCCC1=O 920433459 UBDTZIOUOODZDA-UHFFFAOYSA-N 319.317 -0.272 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CSCC(=O)N2)c1 929244411 JEQIVNADZTUSMH-NSHDSACASA-N 323.374 -0.247 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1116341544 AXQXESCSAVQJRS-UHFFFAOYSA-N 319.277 -0.444 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1ncc(F)cn1 1116403444 QAZRZJNSUHLPBC-UHFFFAOYSA-N 317.284 -0.054 50 20 DBGD O=C(NNC(=O)c1c[nH]nc1-c1ccncc1)C(=O)NC1CC1 1248693471 QERVOGNAHRWIMY-UHFFFAOYSA-N 314.305 -0.489 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC(=O)N(C)Cc1ccccc1 1318882612 PLUQLEKNYBKQBS-UHFFFAOYSA-N 322.321 -0.852 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 1320901669 RTIBFQUHMCURMO-UHFFFAOYSA-N 304.262 -0.573 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCn2ccnc2C1 1326016090 LPSAOTCQRMHHHW-GARJFASQSA-N 307.354 -0.047 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSCc1cccnc1 1335367181 LYEVQDSHRNILKW-UHFFFAOYSA-N 317.392 -0.493 50 20 DBGD CCOCCO[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1337848457 JSURTZXMVLJZQD-ZJUUUORDSA-N 322.383 -0.990 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549319094 SKWLDPNPWBNKMO-WDEREUQCSA-N 303.384 -0.614 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3NCCC3(C)C)nc21 1580008796 ABCLMJSFQRFFIU-MRVPVSSYSA-N 305.342 -0.100 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)N(C)CCO)cc(-c2nn[nH]n2)n1C 1591814270 QSDBRZAEMQIDKU-WDZFZDKYSA-N 315.337 -0.129 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccc(F)cc1F 1602072014 ITQBHRSIMHKICK-UHFFFAOYSA-N 309.250 -0.458 50 20 DBGD O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)NNC(=O)c1cccs1 1608337181 MTLWTIXHHURTTQ-VROVMSAKSA-N 309.347 -0.229 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)Cc2ccccn2)n1 1608799118 SWJOAECFCVSLCD-UHFFFAOYSA-N 318.293 -0.242 50 20 DBGD N=C(N)NCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1842883038 DPPTWFXUHIXPEO-MRVPVSSYSA-N 305.741 -0.793 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCO2)cc1 293383620 NCNVCFCIBZDIDH-NSHDSACASA-N 307.306 -0.040 50 20 DBGD CCOC(=O)N1CCN([C@H](C)C(=O)NNC(=O)CC)CC1 493929395 BXXFDEKASUSWBE-SNVBAGLBSA-N 300.359 -0.294 50 20 DBGD O=C(NCCc1nnc2n1CCC2)c1ccc(B(O)O)c(F)c1 584979831 HGWWNBOHRWIJPQ-UHFFFAOYSA-N 318.117 -0.984 50 20 DBGD Cc1c(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)cnn1C 584984153 UZAFMGIUXORBCM-UHFFFAOYSA-N 305.118 -0.180 50 20 DBGD CCC[C@H](C)C(=O)NCCNC(=O)c1cc(B(O)O)ccc1F 584993568 XFRIMXSZUPOIBK-JTQLQIEISA-N 324.161 -0.212 50 20 DBGD CCCN1C[C@H](CNC(=O)c2cccc(B(O)O)c2)CC1=O 584999740 IBXHQFLJXWHOLT-NSHDSACASA-N 304.155 -0.645 50 20 DBGD CNC(=O)NC1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 585002497 XDEWNIXVCHPVIT-UHFFFAOYSA-N 323.133 -0.961 50 20 DBGD OB(O)c1ccc(-c2noc([C@H]3CCc4nn[nH]c4C3)n2)cc1 585052247 WBAQUJZOHNNIJO-VIFPVBQESA-N 311.110 -0.193 50 20 DBGD O=C(CCn1cccn1)NNC(=O)CNC(=O)c1ccco1 725741739 UXZTZXOXBPRRSE-UHFFFAOYSA-N 305.294 -0.556 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 746510505 YOALNLDZRWDYMA-PBQZMEPESA-N 301.368 -0.029 50 20 DBGD CCC(=O)NNC(=O)Nc1cnn(CCN2CCOCC2)c1 756826518 IFJUFHUDNFTCPX-UHFFFAOYSA-N 310.358 -0.222 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)Cn1cncn1 764046787 BNYRYFGDJRZBNU-UHFFFAOYSA-N 307.335 -0.077 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1c(Cl)cnn1C 780226194 WGLBOENMTFXNMU-LURJTMIESA-N 307.763 -0.539 50 20 DBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)cs1)c1cnn[nH]1 823277295 JJJVBYLBTSIFLG-UHFFFAOYSA-N 305.283 -0.879 50 20 DBGD CC(C)NC(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825681173 HNEZOGCHCFILOZ-VHSXEESVSA-N 300.359 -0.344 50 20 DBGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)O)c1 830144439 HBTFHFVXEWMUAD-UHFFFAOYSA-N 308.337 -0.059 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 841395334 ILDPRVSDMLXTQU-OIBJUYFYSA-N 317.305 -0.127 50 20 DBGD CO[C@H](CC(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 842231249 HPBAZFJCIKVXJW-DTWKUNHWSA-N 309.388 -0.867 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C)c(C(=O)OC)o1 853024000 DENFIWNTFMDSSR-UHFFFAOYSA-N 305.312 -0.113 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)[C@H]1CCCCO1)C(C)=O 854683633 SHGNFUUVDXPHPN-WDEREUQCSA-N 314.338 -0.139 50 20 DBGD CCC[C@H](OCC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 858174755 VHRVKEJBFCVUAW-UWVGGRQHSA-N 306.384 -0.226 50 20 DBGD O=C(CN1CCCCS1(=O)=O)NNC(=O)c1ccccc1 877950094 VYUDAQLCSUKBIB-UHFFFAOYSA-N 311.363 -0.127 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(C)C[C@@H]1CO 879002047 QADPOKUWDDQMKH-NWDGAFQWSA-N 300.403 -0.823 50 20 DBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)CN1CCCC1=O 913731137 VKSXFZPXFVLJSP-WDEREUQCSA-N 313.354 -0.660 50 20 DBGD CN(NC(=O)c1cnn(CC(=O)NC2CCCC2)c1)C(N)=O 1116527689 KGYNDDSZQNLFBU-UHFFFAOYSA-N 308.342 -0.403 50 20 DBGD CN(C)C(=O)O[C@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1261792152 NOZJBOCUGBMYGE-JTQLQIEISA-N 324.341 -0.073 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCCN2CCCCC2=O)cn1 1318579376 VSEMDMWECCMMKN-UHFFFAOYSA-N 322.369 -0.233 50 20 DBGD C=CCOCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1318795024 HGVPZLLLCOHIIZ-SNVBAGLBSA-N 319.383 -0.513 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 1319912620 PTARUUAMLCIIIE-LURJTMIESA-N 319.774 -0.020 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(CNC(C)=O)cc1 1320509908 CDLVZUOYSPOXBR-UHFFFAOYSA-N 306.322 -0.181 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(C)=O)cc1 1321668051 SPCNLOCHXZGPLH-UHFFFAOYSA-N 307.262 -0.852 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1nc(C)n(C)n1 1326284599 ZXGVOKDGISVRMA-UHFFFAOYSA-N 316.321 -0.168 50 20 DBGD CNS(=O)(=O)N1CCC(C(=O)NNc2ccccn2)CC1 1329135323 BKYPNCDQIJWYFA-UHFFFAOYSA-N 313.383 -0.299 50 20 DBGD C[S@](=O)c1ccc(C=NNC(=O)CS(C)(=O)=O)cc1 1329558772 WMMJWYWBCKJSPZ-SFHVURJKSA-N 302.377 -0.081 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNC(=O)c3ccc[nH]3)CC2=O)cn1 1330212361 AJZKACZGSRYPSU-VIFPVBQESA-N 316.321 -0.438 50 20 DBGD CC(C)CC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1331933362 YTFDIBKAZNMLHE-UHFFFAOYSA-N 318.182 -0.303 50 20 DBGD Cc1cc(NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)nc(C)n1 1574343201 ITJRCTQDQHFOSV-SNVBAGLBSA-N 321.337 -0.140 50 20 DBGD CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)[C@H]1CCN1 1574998985 VRWMZWISYBUQFE-PAKSIRSJSA-N 308.363 -0.266 50 20 DBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C1CC1 1601893770 USHMOPMHIQWHAL-QMMMGPOBSA-N 312.326 -0.904 50 20 DBGD O=C(O)c1cccc(NNC(=O)c2cnn(C[C@H](O)CO)c2)c1 1608936510 XRHJZJFDONJHJQ-LBPRGKRZSA-N 320.305 -0.309 50 20 DBGD CC(C)(O)CC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842781046 TWRZPYOVNAJRQV-SNVBAGLBSA-N 318.801 -0.050 50 20 DBGD CC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847489587 BLMXVXXGLCSQLT-UKKRHICBSA-N 304.774 -0.441 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=S)NCCN(C)C)cc1 8081448 KPQGTZPYFTYASW-UHFFFAOYSA-N 323.422 -0.010 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1COc2ccccc2O1 53578162 MUVFIHJQKNQAGI-LBPRGKRZSA-N 307.306 -0.101 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2cccn2C)CC1=O 266823142 LBXHJPIURDFJDB-NSHDSACASA-N 321.381 -0.804 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](C)[C@@H](C)C(=O)NN(C)C(=O)OC 286462394 TXYHIMGUJWPBQB-HTQZYQBOSA-N 318.330 -0.283 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1nccnc1N 495995150 WZNSUJPPVIDCDR-UHFFFAOYSA-N 324.341 -0.265 50 20 DBGD C[C@H]1CN(CCCNC(=O)c2ccc(B(O)O)cc2)C[C@@H](C)O1 584929316 QVGFZZGYTBPFFM-BETUJISGSA-N 320.198 -0.405 50 20 DBGD O=C(NCC(=O)N1CCCCC1)c1ccc(B(O)O)c(F)c1 584942449 HKIDGYMQVXJHDX-UHFFFAOYSA-N 308.118 -0.752 50 20 DBGD C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(B(O)O)cc1 584975389 BXFIQTFMBCJYME-LBPRGKRZSA-N 320.198 -0.716 50 20 DBGD CC(C)[C@]1(c2nc(-c3cccc(B(O)O)c3)no2)CNC(=O)C1 585052795 XOLPYWFHGXROQL-OAHLLOKOSA-N 315.138 -0.170 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)c1 728827993 FIAGAKYCQBZAJZ-UHFFFAOYSA-N 314.301 -0.142 50 20 DBGD COc1ccc(C(=O)NNC(=O)C2=NNC(=O)C2)cc1OC 732265216 PJCBNITVNVBZON-UHFFFAOYSA-N 306.278 -0.659 50 20 DBGD CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NNC(=O)C1CC1 733197270 OQYWTAPPMNAVRW-SECBINFHSA-N 305.400 -0.701 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2nc(O)nc(O)c2N)c(C)o1 746092824 FCFXOTBJEGABDQ-UHFFFAOYSA-N 307.266 -0.245 50 20 DBGD CO[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H]1OC 753805234 CNRXJWHUAPQKLF-AOOOYVTPSA-N 313.379 -0.145 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 764081583 JUGOOZUYLWQUAF-QMMMGPOBSA-N 324.337 -0.056 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)c2cccnc12 764421807 NSEVELRZAXXLSD-UHFFFAOYSA-N 302.290 -0.379 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C(C)(C)C(N)=O)nc1C 768186724 IMGDYADRAWUHLO-UHFFFAOYSA-N 309.326 -0.084 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccc2c(c1)OCO2 785402906 AUSCZSYFBWDYQZ-ZJUUUORDSA-N 322.273 -0.192 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1nc2ccccn2n1 791252186 AZUXNJDFCUWHLZ-UHFFFAOYSA-N 313.339 -0.766 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCC(C)(C)C(=O)O 818625185 XPCQPWZJKDYLQE-SECBINFHSA-N 319.358 -0.131 50 20 DBGD N#CC[C@@]1(O)CCN(CC(=O)NNC(=O)c2cccs2)C1 829983079 LNAFXYAGSNJFTQ-CYBMUJFWSA-N 308.363 -0.140 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 833259880 QVNWAPCYMRXCOW-NSHDSACASA-N 324.289 -0.674 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](CN)C2(CCOCC2)C1 843388653 VTBUELJLEAVHLY-NWDGAFQWSA-N 312.414 -0.380 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1C1CCC1 846634229 NWVAOUDLHSGWAL-UJNFCWOMSA-N 303.384 -0.492 50 20 DBGD Cc1cc(C)nc(NNC(=O)CN(C)CC(=O)NC(C)C)n1 849366786 NRFXKNHRYBSKKJ-UHFFFAOYSA-N 308.386 -0.007 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)C(C)=O 854376868 BNFNKDNRBCVRCS-NSHDSACASA-N 322.321 -0.185 50 20 DBGD Cn1nncc1NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 857271664 UUXWRTWZEOHSRT-LURJTMIESA-N 306.248 -0.331 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCSC(F)(F)F)N1 858152840 BEBHSIHVVOLMAU-YFKPBYRVSA-N 314.289 -0.152 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@@H]23)N1 858190234 FBOPJFFCCLKBJL-AXFHLTTASA-N 309.370 -0.778 50 20 DBGD COC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862454464 GMTDGLXKRKDKSS-JTQLQIEISA-N 320.305 -0.096 50 20 DBGD CC(C)Oc1cncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862457450 JTAMBFZOMXHWER-LLVKDONJSA-N 306.322 -0.092 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CN(C3CCCCC3)C2)N1 862458437 ANRNQBFBPNCXGJ-LBPRGKRZSA-N 308.382 -0.323 50 20 DBGD COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cc(B(O)O)ccc1F 863878850 LMBBHQSHUNXVSQ-NOZJJQNGSA-N 323.129 -0.081 50 20 DBGD COC(=O)[C@H](C)N(C(=O)c1cccc(B(O)O)c1)C1CCC1 863880295 UWIOGMBVMQNRBD-JTQLQIEISA-N 305.139 -0.077 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 1115897556 HFDVEWRXDTUKOU-UHFFFAOYSA-N 303.344 -0.771 50 20 DBGD O=C(NNC(=O)c1ccc2nncn2c1)C(=O)N1CCCC1 1115930840 JGQFZVHFOKRZEN-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD CC(C)c1noc(CCNC(=O)NNC(=O)C(=O)NC2CC2)n1 1318450068 PHRWEGWSDNELCO-UHFFFAOYSA-N 324.341 -0.656 50 20 DBGD CC(C)n1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)c1N 1321150285 FTULMOVBBQOMFH-UHFFFAOYSA-N 308.342 -0.570 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 1323966001 ANWYFWZSFPCVII-UHFFFAOYSA-N 322.277 -0.633 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(CO)c(F)c1 1331835034 WGOBMBVQMZZBPK-UHFFFAOYSA-N 304.299 -0.876 50 20 DBGD Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 1343261694 YONNLTWHTNAQSX-UHFFFAOYSA-N 318.333 -0.332 50 20 DBGD CN(C)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1591003334 GTNOKXGBYDYJPL-UHFFFAOYSA-N 305.298 -0.452 50 20 DBGD COc1cc(CN2CC[C@H](B(O)O)C2)ccc1-c1nn[nH]n1 1591526810 SSQJUCQVYJPMEX-JTQLQIEISA-N 303.131 -0.076 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1cccc(F)c1C(=O)O 1601264938 OYRIIAZLDNDZKI-MRVPVSSYSA-N 324.268 -0.045 50 20 DBGD CC[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841278431 NUJJQPDFMVFYTF-ZJUUUORDSA-N 304.774 -0.440 50 20 DBGD COCCN(C)CCNC(=O)NNc1nc2ccccn2n1 188389622 MPJSUCLHWRRPQJ-UHFFFAOYSA-N 307.358 -0.066 50 20 DBGD O=C(CN1C[C@@H](O)C[C@H]1CO)NNC(=O)c1ccc(F)cc1 274494965 QEHMJCUYZYXWPO-RYUDHWBXSA-N 311.313 -0.986 50 20 DBGD O=C(CSCc1ccccn1)NNC(=O)C(=O)NC1CC1 298931729 KSVHARQHNBWDIW-UHFFFAOYSA-N 308.363 -0.259 50 20 DBGD COC(=O)N(C)NC(=O)COCC(=O)NCc1cccnc1 495760118 GLRRPCSTIJEJJO-UHFFFAOYSA-N 310.310 -0.556 50 20 DBGD C[C@H](CN1CCCC1=O)NC(=O)c1ccc(B(O)O)c(F)c1 584935472 LVFRJDGYHXSPMU-SECBINFHSA-N 308.118 -0.754 50 20 DBGD CCCCOCCOCCNC(=O)c1ccc(B(O)O)cc1 584955171 RYHMUTRWRNFPFR-UHFFFAOYSA-N 309.171 -0.071 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](N2CCCC2=O)C1 584981463 WYDZPGGIOGMHIB-LLVKDONJSA-N 320.129 -0.658 50 20 DBGD COc1ccc(S(=O)(=O)NCB(O)O)cc1Br 585053776 CNNOITSOUCZVHO-UHFFFAOYSA-N 323.961 -0.252 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccncc1 733252238 JTDLVOXLMUGPGN-JTQLQIEISA-N 314.367 -0.584 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](C(=O)O)C1 736402627 SFTDBWOUIATCML-VHSXEESVSA-N 301.343 -0.646 50 20 DBGD CCc1cc(CNC(=O)NNC(=O)[C@H](C)OCCOC)n[nH]1 748633119 QGSRQNQZHPJSIO-VIFPVBQESA-N 313.358 -0.146 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1O 768767698 NJXLAHQTIWLEPP-GXFFZTMASA-N 302.334 -0.368 50 20 DBGD CN(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(N)=O 778415187 SAYCTZFBXVKSIU-UHFFFAOYSA-N 300.340 -0.408 50 20 DBGD O=C(CSc1n[nH]c(CO)n1)NNC(=O)c1ccccc1 787486611 OMENHAOKOHAGGB-UHFFFAOYSA-N 307.335 -0.150 50 20 DBGD CSC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 789904287 ACJLIFDMEAROHA-UHFFFAOYSA-N 308.363 -0.146 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)o1 794271625 NSNWTPFANQCMPS-UHFFFAOYSA-N 302.246 -0.065 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1c(C)cnn1C 795301263 FWSKLAIOJFFGRS-UHFFFAOYSA-N 305.360 -0.742 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cncc(F)c1 799234032 FRTVMGSAJRHYIL-SSDOTTSWSA-N 316.314 -0.192 50 20 DBGD Cc1nn(C)c(Br)c1C(=O)NNC(=O)CN(C)C 801614992 YDUCPBRVUMTMGI-UHFFFAOYSA-N 318.175 -0.186 50 20 DBGD Cn1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)nn1 808659357 JCBCSXYROGWRAW-UHFFFAOYSA-N 303.278 -0.567 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1 820133911 SUHKQHKASFVPMC-UHFFFAOYSA-N 307.339 -0.097 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CCS(C)(=O)=O 827289419 SSLUWEWTTVWRMX-BDAKNGLRSA-N 307.372 -0.871 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 843655012 LNWSIXXJDVPBGH-WPRPVWTQSA-N 318.395 -0.085 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1 847286635 WMBVMRKINLUJMJ-NWDGAFQWSA-N 321.333 -0.024 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@]1(O)CCSC1 854385661 BQHCZIZPDMDUJT-LBPRGKRZSA-N 306.384 -0.209 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NC(C)=O)cc1OC 859308805 SVMMPXMXNHYJAA-MRVPVSSYSA-N 309.322 -0.011 50 20 DBGD COc1ccccc1OCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862448268 BKSBHSGBUDCXCS-JTQLQIEISA-N 321.333 -0.110 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 863413091 CATKOJGRMVYCQA-SSDOTTSWSA-N 303.365 -0.355 50 20 DBGD CCN(CC(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863460294 RDLKGYGUVXWUJE-UHFFFAOYSA-N 313.379 -0.295 50 20 DBGD COC(=O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]1C 863879861 FMDPSIYTCNCAAA-WCBMZHEXSA-N 309.102 -0.471 50 20 DBGD CS(=O)(=O)N1CC(CNS(=O)(=O)CCCCl)C1 882088655 CACBSETXEGFDFK-UHFFFAOYSA-N 304.821 -0.574 50 20 DBGD CC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 884138951 DYIINPFUHNZLBS-UHFFFAOYSA-N 321.380 -0.734 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccccn1 1115947135 CDFYHZDHXQWHME-UHFFFAOYSA-N 317.305 -0.065 50 20 DBGD Cc1nnnn1-c1cc(NC(=O)NNC(=O)CCO)ccc1F 1321215460 QWQPPHSDTDHMDI-UHFFFAOYSA-N 323.288 -0.355 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cn2cc(C)ccc2n1 1324691494 VTMUQKJGCVWMHX-UHFFFAOYSA-N 305.294 -0.354 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCCN1CC(C)C 1336599486 JEIRDJUDTKZASN-GFCCVEGCSA-N 301.387 -0.083 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccnc(OCCO)c1 1346855643 RALQFGIWDVYWAE-SECBINFHSA-N 324.337 -0.415 50 20 DBGD CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN1 1575125956 QNMPZKXCBQBVND-WDEREUQCSA-N 310.398 -0.077 50 20 DBGD COCC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1C 1591367524 IYHSUFAWKZLZPS-UHFFFAOYSA-N 305.298 -0.026 50 20 DBGD Cc1noc(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1592461924 LTPWLVZKHLHZFA-UHFFFAOYSA-N 316.285 -0.221 50 20 DBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C(=O)O)C1 1594407400 VIDMGOWJVAMEBG-UFBFGSQYSA-N 309.102 -0.169 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)N2CCC(C#N)(C(=O)O)CC2)O1 1599906938 UZIUPSDCLQBQFG-UWVGGRQHSA-N 324.337 -0.015 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cncc2ccccc12 1601635942 RBFJOKKPBDBCII-UHFFFAOYSA-N 302.246 -0.595 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@@]2(C(=O)O)CCCO2)c1 1605617570 MWEVGOGBUPWDFE-CQSZACIVSA-N 303.274 -0.047 50 20 DBGD C[C@@H]1CN(C)C[C@H](C(=O)NN=Cc2cc(C(=O)O)cn2C)O1 1776092625 WAHRFHGFQVWGSW-BXKDBHETSA-N 308.338 -0.108 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H]2CCCN2C)n1 139343551 FWIBSHPFOBCVGR-GFCCVEGCSA-N 308.386 -0.075 50 20 DBGD Cn1ncc(C(=O)NNC(=O)Cc2cc[nH]n2)c1-n1cccc1 186095091 PWXCLUMQEVTNEZ-UHFFFAOYSA-N 313.321 -0.062 50 20 DBGD COC(=O)[C@H](Cc1c[nH]c2ccc(B(O)O)cc12)NC(C)=O 205042161 XWKRNMFMPARBLT-ZDUSSCGKSA-N 304.111 -0.932 50 20 DBGD C[C@H]1Oc2ccccc2N(CC(=O)NNC(=O)CN(C)C)C1=O 263906415 HDQIHTDUKUBQPZ-SNVBAGLBSA-N 320.349 -0.491 50 20 DBGD CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CCCCl 380904649 PSUSIIGNVGXNAI-VIFPVBQESA-N 318.848 -0.089 50 20 DBGD N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCN(C(=O)CO)CC1 490876127 JISILOFJZXNYRQ-UKTHLTGXSA-N 315.329 -0.038 50 20 DBGD CN1CCN(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 495729744 OTOCEHGXHXBUMK-UHFFFAOYSA-N 315.374 -0.501 50 20 DBGD C[C@@H](C(=O)NNC(=O)CN(C)C)N(C)C(=O)OC(C)(C)C 496868749 WZXLOSITEHHQHD-VIFPVBQESA-N 302.375 -0.049 50 20 DBGD CCCCCN(CC(N)=O)C(=O)c1ccc(B(O)O)c(F)c1 584971809 FCYJFPRYHPXTDL-UHFFFAOYSA-N 310.134 -0.377 50 20 DBGD CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584974272 FYXKATHQJZELNM-LBPRGKRZSA-N 311.168 -0.984 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@H]1c1ncon1 584992555 PGXSYOTVERXJNA-NSHDSACASA-N 305.074 -0.134 50 20 DBGD COCCCN1CCC(NCc2ccccc2B(O)O)CC1 585020808 JUFGEMCOXDDSFJ-UHFFFAOYSA-N 306.215 -0.043 50 20 DBGD COC(=O)[C@@H]1CC12CCN(CC(=O)NNC(=O)C1CC1)CC2 733795833 JLKLGUGKVVNLKR-NSHDSACASA-N 309.366 -0.181 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)OC 763443349 JRKSPOHKYLRQJW-UHFFFAOYSA-N 323.305 -0.022 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)COc1ccc(C#N)cc1 780849189 VTTZDOQANUPADD-UHFFFAOYSA-N 304.306 -0.389 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)Cc1cc[nH]n1 783614144 WIVWHNVHOSVZHM-UHFFFAOYSA-N 319.321 -0.634 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)NCC(F)(F)F)n1 798313159 BFSICICYAFUBPL-UHFFFAOYSA-N 324.263 -0.039 50 20 DBGD O=C(CC1OCCCO1)NNc1nccc(N2CCOCC2)n1 801632066 HCUVZEXMWPAGSW-UHFFFAOYSA-N 323.353 -0.091 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)N=c1cc[nH]cc1 802033706 KRISETRIBDEZDS-UHFFFAOYSA-N 317.305 -0.468 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc2c(=O)[nH]ccc2c1 803437320 NGJBYEXNZHHZEX-MRVPVSSYSA-N 324.362 -0.091 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 807371079 BMCAURWHGOJUOZ-SECBINFHSA-N 301.343 -0.551 50 20 DBGD CSCCNC(=S)NNC(=O)c1cc2n(n1)CCO2 810659963 BQQDNICFOBAWPF-UHFFFAOYSA-N 301.397 -0.253 50 20 DBGD CO[C@](C)(CNC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 813202943 TWGFGQQMEYKFOR-CQSZACIVSA-N 312.370 -0.246 50 20 DBGD Cc1c(C(=O)NNC(=O)C2CCC2)nnn1-c1ccn(C)n1 815552197 TWQBVPBWKKAWGP-UHFFFAOYSA-N 303.326 -0.130 50 20 DBGD Cc1cc(CN)cc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 818637426 CEKKJWLISUAPEQ-UHFFFAOYSA-N 307.354 -0.899 50 20 DBGD C[C@H](CO)N(C)NC(=O)Cn1ccc(Br)cc1=O 823902776 VPXCUCWJFFCUTF-MRVPVSSYSA-N 318.171 -0.045 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc3c2CCOC3)N1 827017105 XQXWXELDSANGCP-LBPRGKRZSA-N 303.318 -0.201 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)c1ccncc1 845070546 DCNFEBOYHYDECT-UHFFFAOYSA-N 316.321 -0.763 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1=O 845482832 ILGZSQGDXQZJRW-OUAUKWLOSA-N 312.370 -0.390 50 20 DBGD CCN(C)S(=O)(=O)NNC(=O)CCCNC(=O)C(C)(C)C 849312957 SBWNHEHHPORWMR-UHFFFAOYSA-N 322.431 -0.254 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 858571661 JCPIXARYMQAGST-DJLDLDEBSA-N 302.331 -0.850 50 20 DBGD C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)c1cn[nH]c1 858704304 HENXOBVGQMZUFR-YUMQZZPRSA-N 315.355 -0.729 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(S(=O)(=O)CCl)C1 859304349 CFVLIKXCHXMDEA-YUMQZZPRSA-N 313.759 -0.061 50 20 DBGD O=C(CCC1CCCC1)NCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455198 ZSGFNWWBBBSHDA-NSHDSACASA-N 324.381 -0.501 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(F)cc([N+](=O)[O-])c2)N1 862456262 WRBSHZRSJLNHGJ-VIFPVBQESA-N 310.241 -0.227 50 20 DBGD Cn1cnc2cccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c21 862459008 LQBGLDFANRWXOR-SNVBAGLBSA-N 301.306 -0.387 50 20 DBGD O=C(Cc1cnn2ccccc12)NNC(=O)[C@H]1CCC(=O)N1 862461870 SBRGUZALBKZKJL-SNVBAGLBSA-N 301.306 -0.697 50 20 DBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)N1CCOCC1 874248446 UTNSNDZJIWSMFV-POHAHGRESA-N 300.340 -0.894 50 20 DBGD O=C(CN1CCC[C@H](NC2CCOCC2)C1)NNC(=O)C1CC1 880203267 HZHZUEYAFBSQTA-AWEZNQCLSA-N 324.425 -0.223 50 20 DBGD CS(=O)(=O)CCOCCNS(=O)(=O)CCCCl 881936258 YMWSBGIDBAFZDL-UHFFFAOYSA-N 307.821 -0.404 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(-c2csnn2)cc1 1116623733 UMEMAMLGDAGIQS-UHFFFAOYSA-N 321.318 -0.717 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1116743041 XHERRXFOSLBADR-VIFPVBQESA-N 322.383 -0.642 50 20 DBGD Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1S(N)(=O)=O 1118914542 AMVCTVMTDDCIMI-SNVBAGLBSA-N 312.156 -0.669 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)c1cnn(C)c1 1318946929 LCJGINYKECOQMY-SECBINFHSA-N 319.321 -0.306 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)NCC(F)(F)F)on1 1321135849 GQAYDAPKKOIWSJ-UHFFFAOYSA-N 310.188 -0.033 50 20 DBGD COC(=O)NCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1327706909 RFWZYGZGQBIEML-SECBINFHSA-N 307.372 -0.775 50 20 DBGD CN(C)C(=O)c1cccc(C=NNC(=O)CS(C)(=O)=O)c1 1334710162 GSIZCFHUCVMENX-UHFFFAOYSA-N 311.363 -0.117 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc2nc(O)oc12 1335394423 FIGDWTMNRPOJRJ-UHFFFAOYSA-N 306.278 -0.181 50 20 DBGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)CN1CCCC1=O)CC2 1339722241 KQJNVPCSMFUYCZ-SNVBAGLBSA-N 319.365 -0.705 50 20 DBGD C[C@H](C(=O)NNC(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 1588999549 LRCRWULTNKKALK-ZCFIWIBFSA-N 323.317 -0.425 50 20 DBGD O=C(NNC(=O)c1cccnn1)c1cc(-c2nn[nH]n2)ccn1 1593158989 PWDSCOXEMZMGLD-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD O=C(NNC(=O)c1ncccn1)c1coc(-c2nn[nH]n2)c1 1593159700 WILJVWQVTCQGOT-UHFFFAOYSA-N 300.238 -0.676 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Cn1cccc(C(=O)O)c1=O 1600978766 QXWCCIBTEVAAGA-UHFFFAOYSA-N 318.289 -0.654 50 20 DBGD O=C(C[C@H]1CCNC1=O)NNc1ccc(-c2nn[nH]n2)cn1 1606503860 KEYZBJUMTGAOCG-SSDOTTSWSA-N 302.298 -0.769 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC(c2ccccc2)=NO1 41777945 YUMUIOHAEFGEES-GFCCVEGCSA-N 318.333 -0.148 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 267529391 YXSRJBCZDCCIOZ-SECBINFHSA-N 321.293 -0.231 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)NC2CCCCC2)nn1 268871670 QEFONXOLRNCPBW-SECBINFHSA-N 310.358 -0.006 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1)c1ccc([N+](=O)[O-])cc1 276156689 PNQSOUXWPMQKQK-UWVGGRQHSA-N 323.261 -0.012 50 20 DBGD CCN1CCN([C@H](C)CNC(=O)c2ccc(B(O)O)cc2)CC1 584944956 DTDYUMOJWMEZER-CYBMUJFWSA-N 319.214 -0.878 50 20 DBGD CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584981046 AMIRNYZJMJRDCN-OAHLLOKOSA-N 324.161 -0.966 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@]12CCNC2=O 584995320 MEVHASNQVPSOQI-CQSZACIVSA-N 306.102 -1.000 50 20 DBGD CS(=O)(=O)C1(CNCc2ccccc2B(O)O)CCCC1 585040415 KEAOQYUFDBTQHI-UHFFFAOYSA-N 311.212 -0.187 50 20 DBGD O=S(=O)(NCB(O)O)c1cc(F)ccc1Br 585055464 BGDLQNWSOKHSQO-UHFFFAOYSA-N 311.925 -0.122 50 20 DBGD Cc1c(C(=O)NCB(O)O)nnn1-c1cccc2ncccc12 585061324 PNMWHJQVCIXSLB-UHFFFAOYSA-N 311.110 -0.134 50 20 DBGD CN(CCS(C)(=O)=O)CC(=O)NNC(=O)c1cccs1 728055130 YVKVTMQXHRRVQP-UHFFFAOYSA-N 319.408 -0.515 50 20 DBGD COCCN([C@@H](C)C(N)=O)[C@@H](C)C(=O)NNC(=O)CC(C)C 732201808 OHJKHMINVRRUNR-QWRGUYRKSA-N 316.402 -0.609 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(C)c1F 749140851 DANMANUVUKTMGJ-UHFFFAOYSA-N 305.287 -0.045 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)C1CCCC1 758167581 RJGRICGOOBTLNF-UHFFFAOYSA-N 321.399 -0.720 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)NCC1CC1 761147109 LKQLKBDJSWZMPM-UHFFFAOYSA-N 306.388 -0.554 50 20 DBGD COCC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccco1 780890008 TVYLHIQUNFNREY-JTQLQIEISA-N 324.337 -0.034 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CN(C)CCO2)cc1 801110154 QFNIPVDKGDOLHQ-GFCCVEGCSA-N 320.349 -0.588 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1occ2c1CCC2 806787927 PXSYYBDJGRMUSQ-SSDOTTSWSA-N 315.351 -0.533 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CCn2cncn2)cc1 814517142 PJQBUJJMIHJSEN-UHFFFAOYSA-N 314.305 -0.234 50 20 DBGD CNC(=O)NCCC(=O)NNc1ccc(-n2ccnc2)nn1 816659841 DHRJDPFMUQTKTL-UHFFFAOYSA-N 304.314 -0.576 50 20 DBGD CC(C)CC(=O)NNC(=O)CCN1C(=O)CCNC1=S 816831290 NOIAYXBKPJDVSU-UHFFFAOYSA-N 300.384 -0.323 50 20 DBGD CON(C)C(=O)CNC(=O)NNC(=O)COc1cccc(C)c1 817790426 FTZLQYRRBYAZJX-UHFFFAOYSA-N 324.337 -0.276 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 826445075 GDCNPLWIGWSGCH-JTQLQIEISA-N 302.294 -0.193 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)c1ccc(Cl)nc1 833120712 AJGRMSVZDNSDEQ-UHFFFAOYSA-N 324.684 -0.514 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCN1C(=O)CCC1=O 843642679 GHAYSZRQURFEAM-NXEZZACHSA-N 311.338 -0.512 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCN2CCCC[C@H]12 847443534 UOQMZRSZNOQDMB-NWDGAFQWSA-N 323.397 -0.388 50 20 DBGD COC(=O)c1ccccc1NNC(=O)Cn1nc(C)n(C)c1=O 847662316 ZNHURRYZNHGCOB-UHFFFAOYSA-N 319.321 -0.180 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)[C@H]2CCNC2=O)cc1 854511816 ZQSWJAJMXAMSMS-LBPRGKRZSA-N 305.334 -0.089 50 20 DBGD Cc1nc(CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n[nH]1 855826189 XQHOVLWUEGPXSR-UHFFFAOYSA-N 324.385 -0.254 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)cn1 859446698 CDPVXHFNESRDDP-OAHLLOKOSA-N 319.365 -0.122 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(C(N)=O)nc1 860349567 MKELTRAWGQFSNP-MRVPVSSYSA-N 322.321 -0.788 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cn[nH]c1 862474697 YRNQDOQWURQPRJ-AOOOYVTPSA-N 319.321 -0.654 50 20 DBGD O=C(O)COc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1 863146745 VERDXEBMQFTLMH-LLVKDONJSA-N 305.290 -0.121 50 20 DBGD CCn1c(S)nnc1CCNC(=O)c1ccc(B(O)O)cc1 863874561 UFSQUFKWCIFZLK-UHFFFAOYSA-N 320.183 -0.761 50 20 DBGD O=C(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(B(O)O)cc1 863877791 FTHBAYVUUANTLC-CYBMUJFWSA-N 321.138 -0.982 50 20 DBGD O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc(B(O)O)cc1 863877873 HZBXLQCQJAXGNQ-ZDUSSCGKSA-N 305.139 -0.218 50 20 DBGD O=C(NC[C@@H]1COC2(CCCC2)O1)c1cc(B(O)O)ccc1F 863878251 MXIYBUKNPCBAEC-LLVKDONJSA-N 323.129 -0.079 50 20 DBGD CC(C)COC(=O)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 863878647 UYNKQIGECHORRI-VIFPVBQESA-N 311.118 -0.177 50 20 DBGD O=C(NNCC(F)(F)C(F)(F)F)c1cccc(B(O)O)c1 863887893 ZILZJIBFGYUWCY-UHFFFAOYSA-N 312.003 -0.202 50 20 DBGD COCCOCC(=O)NNC(=O)C1(C)COC(C)(C)OC1 869908795 XSLVDUOFPRKLIN-UHFFFAOYSA-N 304.343 -0.414 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2ccnn2C)C1 933537257 OSZPVYGLHNPZGV-CMPLNLGQSA-N 309.370 -0.261 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H]1CCCS1(=O)=O 1118185402 BMHSKGCSJQQMJP-IVZWLZJFSA-N 319.383 -0.681 50 20 DBGD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NNC(=O)NCC1CC1 1253411480 IDHVPBMNEPNVEE-UHFFFAOYSA-N 309.282 -0.503 50 20 DBGD COCCCNC(=O)NNC(=O)c1c(C)c(C)nn(C)c1=O 1319624921 DUUHJQADGVDPBC-UHFFFAOYSA-N 311.342 -0.622 50 20 DBGD CC(C)(O)CCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1320423234 WTORUBSCEONBGN-UHFFFAOYSA-N 309.326 -0.489 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1 1328492902 CSXQCVYNCVLLBO-SECBINFHSA-N 309.301 -0.215 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H](O)c2ccsc2)N1 1329752228 BUMONDPRIMUSIV-BDAKNGLRSA-N 312.351 -0.610 50 20 DBGD O=C(NNc1ncc(F)cc1F)c1cnn(C[C@H](O)CO)c1 1330849342 UOHNCAKFVPOABP-VIFPVBQESA-N 313.264 -0.334 50 20 DBGD COc1nccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)n1 1336495976 FNWREEOTRLQAIP-VIFPVBQESA-N 314.367 -0.409 50 20 DBGD COc1ccncc1NC(=O)C(=O)NNC(=O)c1cccn1C 1337969051 LSMPLGOHWNRHPM-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccnc1-n1cccn1 1342593282 WISDKRTYTSUGMB-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD Nc1cnnc(NNC(=O)CNC[C@H]2CCCO2)c1Cl 1349417425 FLJNMURIIJZACL-SSDOTTSWSA-N 300.750 -0.076 50 20 DBGD O=C1CC[C@H](C(=O)NN=Cc2ncc(C3OCCO3)s2)N1 1351651928 RYWWKXHCFBHJJR-SSDOTTSWSA-N 310.335 -0.083 50 20 DBGD COC(=O)C[C@H](N)C(=O)NNC(=O)COc1cc(C)cc(C)c1 1578819186 PWGJNQHOBLYPFO-LBPRGKRZSA-N 323.349 -0.280 50 20 DBGD O=C(NNC(=O)C1(c2ccc3c(c2)OCO3)CC1)[C@@H]1CCN1 1580732725 HQEGJPYNNYXKNN-JTQLQIEISA-N 303.318 -0.044 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)C(C)(C)C(=O)O)C[C@H](C)O1 1589394898 CTPGOVDOQVMICV-UWVGGRQHSA-N 315.370 -0.256 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1590638772 VKMZVAGEGLEYLG-UHFFFAOYSA-N 315.315 -0.638 50 20 DBGD COC(=O)C(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1 1591225960 GOMIZNAXJYGPSN-UHFFFAOYSA-N 305.254 -0.808 50 20 DBGD O=C(O)CN1CC[C@H](N2C[C@H]3[C@H](Br)[C@H]3C2)C1=O 1595073582 APGUPXXPAKWLRR-PYHGXSLLSA-N 303.156 -0.003 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)NCCOCC(=O)O 1600575497 GYAATZPUTSKONC-UHFFFAOYSA-N 309.322 -0.031 50 20 DBGD Cc1oc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1C(=O)O 1600851292 KWXXLVOGTPWQAO-UHFFFAOYSA-N 324.293 -0.605 50 20 DBGD C[C@@H](NC(=S)NNC(=O)c1cn(CC(=O)O)nn1)C1CC1 1603243708 VWUDONSKMARFQX-ZCFIWIBFSA-N 312.355 -0.730 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1605539543 YCUZFYXQRJZQHA-BRDIYROLSA-N 308.294 -0.553 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CN2CCSC2=O)n1 7961701 PGJJBPLDYPGWCN-UHFFFAOYSA-N 311.367 -0.184 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)NC1CC1 10213543 JHQTYHGFWJZRGP-SECBINFHSA-N 322.365 -0.797 50 20 DBGD C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 14311842 CSQYPZYQPRKEJO-PRHODGIISA-N 319.317 -0.359 50 20 DBGD NC(=O)CSCC(=O)NNC(=O)COCc1ccccc1 265665939 DWSOONFAQGCMIR-UHFFFAOYSA-N 311.363 -0.431 50 20 DBGD COCC(=O)N[C@H](C(=O)NNc1ncnc2nc[nH]c12)C(C)C 266489178 SAMOURVBILUBPO-VIFPVBQESA-N 321.341 -0.417 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 270534469 VLDVVOVMTDBTOU-KWQFWETISA-N 323.305 -0.282 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCNC(=O)Cc1ccccc1 276225057 IVGDKSLXXLLARQ-UHFFFAOYSA-N 307.350 -0.346 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc(Cl)ccc1-n1cnnn1 277848081 ANNINCZOEGHBDU-UHFFFAOYSA-N 324.728 -0.152 50 20 DBGD CN(C)CCOc1cc(C(=O)NNC(=O)[C@H]2CCCO2)ccn1 293979395 QVHLQKZDSPTLBV-GFCCVEGCSA-N 322.365 -0.038 50 20 DBGD CCO/C=C(/C#N)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 490752621 DLYDUCJOBUPNSJ-QBFSEMIESA-N 322.365 -0.373 50 20 DBGD COC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 495367551 QTQDHVIACQVTAN-SNVBAGLBSA-N 305.294 -0.506 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 584955094 NZXNGEUHHUERSB-DUBDDPSESA-N 305.114 -0.245 50 20 DBGD O=C(CCNc1ccccc1[N+](=O)[O-])NNC(=O)c1cnn[nH]1 729456902 NJZJIZQNBOLLHC-UHFFFAOYSA-N 319.281 -0.024 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCNC(=O)C2)cc1 760261702 GTBCTMMVSCPASK-NSHDSACASA-N 316.317 -0.389 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](CO)OC[C@@H]1C 766944663 KOMIMRRMZGLYPT-SDDRHHMPSA-N 301.387 -0.350 50 20 DBGD C[C@@H](CBr)COC(=O)c1cn(CC(N)=O)nn1 770389942 SZDWCGIHNVCVRD-LURJTMIESA-N 305.132 -0.049 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)S(C)(=O)=O 772024738 UUOKUGTZESKMCF-RKDXNWHRSA-N 322.383 -0.455 50 20 DBGD O=C(NNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)N1CCCC1 795873816 RKGGEWFIJATWKY-UHFFFAOYSA-N 322.277 -0.316 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(=O)c1cnn(C)c1 796149943 DHKKKIZBHSKHGE-SECBINFHSA-N 324.337 -0.128 50 20 DBGD O=C1CNC(=O)c2ccc(C(=O)NN=c3cc[nH]cc3)cc2N1 816011150 HOIBXXMSVLUBQP-UHFFFAOYSA-N 311.301 -0.058 50 20 DBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)CNC(=O)c1ccco1 819846376 BNHTUHGQBVKNCU-ZDUSSCGKSA-N 322.277 -0.839 50 20 DBGD CCN(CCO)NC(=O)c1sccc1S(=O)(=O)N(C)C 823860076 JAZNLFCYYFRTRI-UHFFFAOYSA-N 321.424 -0.043 50 20 DBGD CCOC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOCC1 824877243 KWRUJMJQAVAPBK-UHFFFAOYSA-N 313.354 -0.658 50 20 DBGD CN1CCO[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1 826045137 QQBWVTVZKWVULS-NSHDSACASA-N 303.326 -0.360 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cnn2ccccc12 843755335 IHFLNXMGQKZHBX-UHFFFAOYSA-N 303.322 -0.451 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 846275584 JDQSVCODYXOQFJ-LPEHRKFASA-N 308.342 -0.802 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCCN2CCCC[C@H]12 847443668 UOQMZRSZNOQDMB-VXGBXAGGSA-N 323.397 -0.388 50 20 DBGD Cn1nnc2cc(NC(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccc21 861186482 MDLCQPMTBGMCHG-QMMMGPOBSA-N 317.309 -0.600 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1F 863412160 IBCHQMVMZKREPQ-JTQLQIEISA-N 315.326 -0.278 50 20 DBGD CC(=O)N[C@H](CCC(C)C)C(=O)NNC(=O)CS(C)(=O)=O 863467409 VZORNILMOJWPED-SNVBAGLBSA-N 321.399 -0.881 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@H]1C1OCCO1 863871984 IQQPLDMZNAWRRJ-ZDUSSCGKSA-N 305.139 -0.266 50 20 DBGD CC[C@@H]1COCCN1CCNC(=O)c1cccc(B(O)O)c1 874710231 NMRXTUAOUCNGAR-CQSZACIVSA-N 306.171 -0.793 50 20 DBGD C#CC[C@@H](CCOC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 875920098 VXDYBRHNZFGZCJ-AAEUAGOBSA-N 317.411 -0.204 50 20 DBGD C[C@]1(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C[C@@H]1Br 909005055 KSQLRDSGKNWQNH-UWVKOVSDSA-N 301.140 -0.109 50 20 DBGD COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(C)=O 916108107 KLGBNCPFRMYNPX-UHFFFAOYSA-N 301.324 -0.017 50 20 DBGD CC(C)NC(=S)NNC(=O)c1cc(S(N)(=O)=O)cn1C 1115820142 LTXSCEWHJZRRAE-UHFFFAOYSA-N 319.412 -0.810 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1c2c(nn1C)CCCC2 1116286309 PGZOKDAXIVSCSK-UHFFFAOYSA-N 307.354 -0.416 50 20 DBGD O=C(CCCc1ccccc1)NNC(=O)CN1C(=O)CNC1=O 1318238396 ZUNGLVHWRAMWIK-UHFFFAOYSA-N 318.333 -0.292 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cc(Br)c[nH]1 1318239813 NWAVTYIJNUPMRA-UHFFFAOYSA-N 320.172 -0.629 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@@H](n3cccn3)C2)N1 1329191020 KWMNNFKOUNZYNK-ZJUUUORDSA-N 306.326 -0.851 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(Cn3cccn3)o2)N1 1330227209 PHAWFEXLXQESJP-SNVBAGLBSA-N 317.305 -0.436 50 20 DBGD COCCOC[C@H](C)NC(=O)NNC(=O)C1CCOCC1 1333596270 SRSHDRNIZDVGJS-JTQLQIEISA-N 303.359 -0.205 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)CN1C(=O)CCC1=O 1345717918 MAEUMDNAGIDTAW-UHFFFAOYSA-N 307.281 -0.335 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CNOC2)cc1C 1579727689 XIPRUEKSOSNNEC-NSHDSACASA-N 308.338 -0.084 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 1580920717 MYJPPWZOFMWFQE-UHFFFAOYSA-N 315.297 -0.770 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1cc(-c2nn[nH]n2)c[nH]1 1593157988 KYTZYZSPIATKSO-NQMVMOMDSA-N 317.309 -0.477 50 20 DBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1594288336 KQDUOCJRMXLETA-JTQLQIEISA-N 305.290 -0.267 50 20 DBGD CCc1cccc(NC(=O)CNC(=O)NNC(=O)C(=O)O)c1 1597595465 RCPDWXHZOUAAKX-UHFFFAOYSA-N 308.294 -0.398 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1C(=O)O 1599143474 SROKWSRDEAFKTH-UHFFFAOYSA-N 309.278 -0.574 50 20 DBGD Cc1c(NNC(=O)CN2CC(=O)NC2=O)cccc1C(=O)O 1600052752 RQPVYUJDNBGMQG-UHFFFAOYSA-N 306.278 -0.312 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 1601635952 RIZDNEZDMDGNMV-SECBINFHSA-N 321.289 -0.639 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C1(C(=O)O)CCCCC1 1605689403 AZBCCQLCLYIWIK-UHFFFAOYSA-N 311.338 -0.209 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1 1610714223 KHBFOPUKIDPVQN-UHFFFAOYSA-N 308.275 -0.533 50 20 DBGD CC(C)(O)CC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842781045 TWRZPYOVNAJRQV-JTQLQIEISA-N 318.801 -0.050 50 20 DBGD CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 113423705 BSHNYHDALGSXJT-VXGBXAGGSA-N 312.414 -0.020 50 20 DBGD O=C(CN1CCC[C@H](Cn2ccnn2)C1)NNC(=O)C1CC1 119316336 QJCJLGSIFKLYLN-NSHDSACASA-N 306.370 -0.453 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCn2c(C)cc(O)cc2=O)[nH]n1 276195964 JQONINOFQMTDAP-UHFFFAOYSA-N 319.321 -0.255 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNc1ncc(F)cc1F 297977548 MLIAVNYSLPVHFU-UHFFFAOYSA-N 323.325 -0.123 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 490946834 HNCLYLHBPZGCNE-UHFFFAOYSA-N 323.305 -0.035 50 20 DBGD CC(=O)N1CCC(CNC(=O)c2cccc(B(O)O)c2)CC1 584940889 ACTMPYAHMVFMPD-UHFFFAOYSA-N 304.155 -0.645 50 20 DBGD CN1CCC[C@@H](CN(C)C(=O)c2ccc(B(O)O)c(F)c2)C1 584947733 ZWEWLWILUMPWLK-LLVKDONJSA-N 308.162 -0.081 50 20 DBGD C[C@H](O)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1C 584953741 XGHZNWGZBOVDQK-QWRGUYRKSA-N 324.161 -0.967 50 20 DBGD O=C(NCCCCN1CCC[C@@H]1CO)c1cccc(B(O)O)c1 584964139 HWVCSHQOLYPPDY-OAHLLOKOSA-N 320.198 -0.667 50 20 DBGD C[C@@H](O)CN1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)C1 584978467 ZLEIPMSPMUGQMB-GHMZBOCLSA-N 324.161 -0.967 50 20 DBGD COC[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H](C)O1 584978909 FXTZZFCWRDAYTR-ONGXEEELSA-N 311.118 -0.619 50 20 DBGD CC(C)N(CCOCCO)C(=O)c1cc(B(O)O)ccc1F 584987213 KDTSIMMZUSFVKN-UHFFFAOYSA-N 313.134 -0.635 50 20 DBGD O=C1CC[C@@H](NCc2ccc(B(O)O)cc2F)[C@H](C2CC2)N1 585040778 AUTPKCLBCVVXMP-HIFRSBDPSA-N 306.146 -0.348 50 20 DBGD OB(O)c1cccc(-c2noc(COC[C@H]3CCOC3)n2)c1 585053756 PQZXAHLYOATUFV-JTQLQIEISA-N 304.111 -0.031 50 20 DBGD O=C(CCn1nnc2ccccc2c1=O)N1CC[C@H](B(O)O)C1 585070069 VVZJOBZOXJVJSI-JTQLQIEISA-N 316.126 -0.743 50 20 DBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNc1ncccn1 726870876 DNQDTHMIDXSDRR-UHFFFAOYSA-N 301.306 -0.016 50 20 DBGD CCn1cc(C(C)=NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 728434853 QYJBRHRMFZUJFB-VIFPVBQESA-N 301.372 -0.319 50 20 DBGD CC[C@@H](C(=O)NNC(=O)NCCCOC)N1CCCC1=O 746168325 NCMFMTSGOQTIFN-JTQLQIEISA-N 300.359 -0.246 50 20 DBGD C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1CCSCC1 750854076 KJDCTGKAQBUJIG-JTQLQIEISA-N 314.411 -0.807 50 20 DBGD CCOCCNC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 750980209 IGQWMPVLNPIJTO-NSHDSACASA-N 318.443 -0.514 50 20 DBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755890146 JCYBQHCWYIISRI-VHSXEESVSA-N 314.411 -0.057 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CS(=O)(=O)C(C)C 772039740 SJXUIBBSSBLYJZ-QMMMGPOBSA-N 308.356 -0.701 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 772424146 SIDXJMCMTNVCJJ-SECBINFHSA-N 307.372 -0.679 50 20 DBGD CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 776066254 HUQSJIAALCLIHM-FXBDTBDDSA-N 312.370 -0.345 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)nc1 795346795 DELDECARGYOZCP-UHFFFAOYSA-N 302.312 -0.944 50 20 DBGD NS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1 799982086 SVQKPCCVTOWOAB-JTQLQIEISA-N 318.399 -0.330 50 20 DBGD O=C1NC(=O)C(=NNC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1 814993491 WHNNLCWZZOWRCG-UHFFFAOYSA-N 319.233 -0.741 50 20 DBGD COc1nccnc1NNC(=O)[C@@]12CCC(=O)N1CCS2 840571729 LGUXOGDDLAZZBC-LBPRGKRZSA-N 309.351 -0.006 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CC[C@H]1C(N)=O 854285214 JGODHYPVFGEZNH-BDAKNGLRSA-N 302.400 -0.628 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@@]1(O)CCOC1 855825343 BJCPPUODCLEYFZ-CQSZACIVSA-N 315.370 -0.772 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc(O)c(F)c2)N1 858697265 QHCXRMQRMIWGAB-VIFPVBQESA-N 310.285 -0.360 50 20 DBGD Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460218 DMIWZTHJHLCEKI-JTQLQIEISA-N 307.281 -0.257 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 894134373 KEJNKSCTRBEIMO-BMIGLBTASA-N 302.334 -0.395 50 20 DBGD CN(C)CC(=O)NNC(=O)C[C@H]1C(=O)Nc2c(F)cccc21 894135711 ZROCIUSCKMEGDD-SECBINFHSA-N 308.313 -0.040 50 20 DBGD CCc1ccccc1OCC(=O)NNC(=O)CS(C)(=O)=O 919743672 ZJKGNOGYJCNXKT-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD O=C(NNC(=O)[C@@H](F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1117668326 BEGFADXQFYSMEG-CRCLSJGQSA-N 306.237 -0.531 50 20 DBGD CCn1ccnc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118806846 BPEFDCWYJAWAEU-DTWKUNHWSA-N 308.342 -0.427 50 20 DBGD O=C1N[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCO1 1261789571 HZDOWVMXDQYCSL-VIFPVBQESA-N 307.310 -0.452 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)c1nnnn1C1CC1 1261861133 PCCRYJPXAUGBSD-ZETCQYMHSA-N 319.329 -0.553 50 20 DBGD Cc1nc(C)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)s1 1319430369 KWTQNZJJZUQRKJ-UHFFFAOYSA-N 320.396 -0.406 50 20 DBGD COC1(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCOCC1 1321134775 JGGJVYJNNSRZIL-JTQLQIEISA-N 319.383 -0.346 50 20 DBGD COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C(=O)OC 1323452787 ADQLCAZZLDGWIA-LLVKDONJSA-N 309.322 -0.253 50 20 DBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326012713 HYWRVVNIFRDEHH-BDAKNGLRSA-N 300.359 -0.486 50 20 DBGD Cn1cnc(NC(=O)C(=O)NNC(=O)c2ccccc2Cl)n1 1327826217 JGWAHPYXWMWPDC-UHFFFAOYSA-N 322.712 -0.132 50 20 DBGD CN(NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 1329151071 DFYGQUBANVVVAU-ONGXEEELSA-N 315.395 -0.853 50 20 DBGD CCN(C(=O)NNC(=O)c1cn[nH]c1)[C@@H](C)CS(C)(=O)=O 1329758852 LCFSEXNCCXPIDT-QMMMGPOBSA-N 317.371 -0.481 50 20 DBGD CN(C)C(=O)NNC(=O)Cc1csc(N2CCOCC2)n1 1330516757 HXBYLNWMQSXGAL-UHFFFAOYSA-N 313.383 -0.175 50 20 DBGD O=C(NNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)c1cn[nH]c1 1331536536 HLKWXOIBCYKENX-GHMZBOCLSA-N 309.326 -0.356 50 20 DBGD Cn1ncc2c(O)nc(SCC(=O)NNC(=O)C3CC3)nc21 1331833061 IOWBUOAQCFRFAM-UHFFFAOYSA-N 322.350 -0.282 50 20 DBGD CC(C)CN1CCO[C@@H](CNC(=O)NNC(=O)c2cn[nH]c2)C1 1336058677 FZOHCOIONCQITB-LBPRGKRZSA-N 324.385 -0.290 50 20 DBGD O=C1COc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc2N1 1337123324 SVFZLOUQNZQETM-UHFFFAOYSA-N 318.289 -0.943 50 20 DBGD CC1(C)NC(=O)N(CCCNC(=O)NNc2cccnn2)C1=O 1340548154 HNIFDVURGWHGED-UHFFFAOYSA-N 321.341 -0.177 50 20 DBGD C[C@]1(CNC(=O)CN2C(=O)CNC2=O)C[C@@H]1Br 1348011029 MPOXPWVGWTYNSH-QUBYGPBYSA-N 304.144 -0.172 50 20 DBGD CC(=O)Nc1nc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cs1 1348479036 PPXDJSUMXVXKDK-ZCFIWIBFSA-N 311.323 -0.859 50 20 DBGD Cn1cc(N2CC[C@H](NC(=O)c3ccc(B(O)O)cc3)C2)cn1 1351790153 HWRCFKFYCKBQFP-ZDUSSCGKSA-N 314.154 -0.891 50 20 DBGD C[C@H]1CC2(CCNCC2)CN1C(=O)c1ccc(B(O)O)cc1 1576637144 GMQMZSIMFYIUKX-LBPRGKRZSA-N 302.183 -0.029 50 20 DBGD CNNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1578745498 XGKUDVTZYZFQNL-UHFFFAOYSA-N 315.399 -0.620 50 20 DBGD Cn1ncc(Br)c1C(=O)NNC(=O)CCCN 1579998196 JLNYLOBZOHCSMC-UHFFFAOYSA-N 304.148 -0.318 50 20 DBGD O=C(O)CCS(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 1602027393 CTZXLWBGYPSLAH-UHFFFAOYSA-N 316.339 -0.673 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1cnc2ccccc2c1 1602072262 ZFOHGCHHDSGWHB-UHFFFAOYSA-N 324.318 -0.188 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H](C(=O)O)C1CCCC1 1605689749 LGVAYHWFWRIMBC-GFCCVEGCSA-N 311.338 -0.353 50 20 DBGD Nc1c(NC(=O)c2cccc(B(O)O)c2)cccc1C(=O)O 1608270184 IQGAJVLUTVSKTO-UHFFFAOYSA-N 300.079 -0.101 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 1609229067 BBYORWGTWOEETG-UHFFFAOYSA-N 304.314 -0.124 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)ccc1F 1610242235 VFMUMPBAFJQDGH-UHFFFAOYSA-N 313.241 -0.744 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)cc([N+](=O)[O-])c1 147400551 XLKQRVIHHHGUQC-UHFFFAOYSA-N 306.278 -0.057 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cn(C)cn2)C[C@@H](C)O1 179072995 UGWCTMFEMMZSEN-PHIMTYICSA-N 309.370 -0.320 50 20 DBGD COC(=O)N[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C(C)C 264524004 LPASZEOQAQIBDW-QMMMGPOBSA-N 302.331 -0.961 50 20 DBGD O=C(NNS(=O)(=O)c1cccc(-n2cnnn2)c1)C1CCC1 264817173 XIIGNVMIGUNPBE-UHFFFAOYSA-N 322.350 -0.228 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccccc2F)O1 268490076 VAKWSYDJGSHJSO-KWQFWETISA-N 324.312 -0.197 50 20 DBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)cn1C 273626213 PKPMTXNKNUIPRH-UHFFFAOYSA-N 318.355 -0.334 50 20 DBGD CCCS(=O)(=O)CC(=O)NNC(=O)NCC(F)(F)F 281395183 YDVBHQXNTVODEZ-UHFFFAOYSA-N 305.278 -0.296 50 20 DBGD COc1ccc(NNC(=O)NCCn2cnc(C#N)n2)nc1 286659121 AOMUCVMJZAGEJD-UHFFFAOYSA-N 302.298 -0.120 50 20 DBGD COc1cccc(-n2cc(C(=O)NNC(=O)C(C)(C)O)nn2)c1 295218643 MWWPCBOVXHCNOG-UHFFFAOYSA-N 319.321 -0.192 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCN1Cc1ccccn1 373118484 RWQFWZZKNGYFMJ-GFCCVEGCSA-N 306.366 -0.036 50 20 DBGD CC(C)(C)n1nnc(CNC(=O)c2ccc(B(O)O)cc2)n1 585004798 NOOPQZDSKUAATK-UHFFFAOYSA-N 303.131 -0.962 50 20 DBGD C[C@@H]1CCN(C(=O)c2nc(-c3ccc(B(O)O)cc3)no2)C1 585053379 FRHASUMUCXGXER-SECBINFHSA-N 301.111 -0.102 50 20 DBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNC(=O)c1ccc[nH]1 729617788 HAYRQXOPVMTSCL-GHMZBOCLSA-N 307.354 -0.178 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)C2=NNC(=O)C2)cc1OC 731866757 ZCFPKCSIJDHGJM-UHFFFAOYSA-N 320.305 -0.269 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNC(=O)NC1CCCCC1)C(N)=O 746094365 HRIIVQIYMPLIRA-JTQLQIEISA-N 313.358 -0.970 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1cccc([N+](=O)[O-])c1 748001753 ICXDTRLTPNUGRR-UHFFFAOYSA-N 307.266 -0.020 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)NC(C)C)c([N+](=O)[O-])n1 756937072 YFRISTRPUPEWLQ-UHFFFAOYSA-N 320.331 -0.288 50 20 DBGD Cc1sc(=O)n(CCC(=O)NNC(=O)C(C)(C)O)c1C 768259307 KSKJMIXLBJDGCW-UHFFFAOYSA-N 301.368 -0.165 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc(NC(N)=O)c2)CC1 773656747 CYWSJJUMODIUNU-UHFFFAOYSA-N 320.353 -0.221 50 20 DBGD Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)[C@@H]1COCCO1 779524220 ASNBFYCLCVPFMB-VIFPVBQESA-N 310.266 -0.647 50 20 DBGD O=C(COCC(=O)NN=c1cc[nH]cc1)NCc1cccnc1 781020819 GFMXDTIXCIUUGU-UHFFFAOYSA-N 315.333 -0.325 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(Cn2cccn2)on1 815475202 BNMLLVOWXWPNLF-UHFFFAOYSA-N 315.293 -0.354 50 20 DBGD O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1nc[nH]n1 816631254 LBRCTEDLNDBPSF-IUCAKERBSA-N 306.326 -0.187 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C 819875793 IIBCEKZYIUMOOK-GUBZILKMSA-N 305.400 -0.102 50 20 DBGD O=C(Cc1ccc2c(c1)CCO2)NNC(=O)CN1CCCC1=O 819938146 PJTSNIKDIOPUNE-UHFFFAOYSA-N 317.345 -0.066 50 20 DBGD C[C@H](C(=O)NNC(=O)CN(C)C)N1C(=O)c2ccccc2C1=O 839641457 WBWUCYPJMZLQOG-SECBINFHSA-N 318.333 -0.620 50 20 DBGD CO[C@H](CS(=O)(=O)NNC(=O)c1ncccn1)C(C)C 842587177 XQRYYTNXUQBIJN-SECBINFHSA-N 302.356 -0.288 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)S(=O)(=O)CCO1 843980151 RLTANPXMCNNFDB-CBAPKCEASA-N 318.351 -0.765 50 20 DBGD COCCN(C)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 846123173 UKAPCKDCKXIAKB-LBPRGKRZSA-N 313.329 -0.474 50 20 DBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cc[nH]n2)C1 849310359 BOQDKNFFVCGMSW-RKDXNWHRSA-N 301.372 -0.133 50 20 DBGD Cc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 861945752 AVBQBUSEGXRCKI-JTQLQIEISA-N 304.306 -0.640 50 20 DBGD C[C@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462845 TZNOWBXUVLJLBL-CABZTGNLSA-N 319.317 -0.308 50 20 DBGD Cc1c(C(=O)NNC(=O)CS(C)(=O)=O)cnn1C(C)(C)C 863459737 GEFYMUCHZGTVNN-UHFFFAOYSA-N 316.383 -0.248 50 20 DBGD C=CCC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OCC 863885691 NTLVPNGYAWKPSL-CYBMUJFWSA-N 305.139 -0.006 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)F)c1cccnn1 882056623 BBSWLZFKFODVQB-SECBINFHSA-N 315.280 -0.797 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1119592577 FVVQZLOLZAPQOQ-LBPRGKRZSA-N 306.343 -0.136 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1319383827 YIAQLZALPHTEDQ-UHFFFAOYSA-N 307.314 -0.573 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1ccc(C)cc1O 1320015488 ZEFAMKWWLXPMKF-UHFFFAOYSA-N 309.322 -0.386 50 20 DBGD CCc1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 1326046909 JLTUNVVUHLUWMB-PSASIEDQSA-N 321.337 -0.450 50 20 DBGD Cc1ncnc(O)c1CCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326673766 AOLCRLMQRFKCNG-ONGXEEELSA-N 308.338 -0.004 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 1337961415 RGUBDQXDIMREPQ-UHFFFAOYSA-N 317.309 -0.533 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cccc(C#N)n1 1349152739 KZFFXMCPASSEAI-WCBMZHEXSA-N 317.305 -0.536 50 20 DBGD COC(=O)NNC(=O)[C@]1(C(=O)OC(C)(C)C)CNCCO1 1578825044 OTSWIJDOARBZSG-LBPRGKRZSA-N 303.315 -0.926 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN[C@](C)(CO)C(=O)O 1607878261 LXCCZOYAQKSFCL-OAHLLOKOSA-N 323.349 -0.890 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@H](C)S(C)(=O)=O)c1 48025021 JCQAWPHPLRZEPJ-JTQLQIEISA-N 314.363 -0.046 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 49152419 KQYCUUWWZUMCCL-UHFFFAOYSA-N 321.380 -0.398 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)cn1 140595779 UYXXWBZTPZNFRC-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)CC1=O 267531132 ZTRLWEUWNDWJGD-NSHDSACASA-N 319.365 -0.073 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1ncccn1 271136537 UFQVQXGGXOPGMZ-UHFFFAOYSA-N 324.341 -0.439 50 20 DBGD Cn1c(=O)c2c(ncn2CCN2CC=C(C#N)CC2)n(C)c1=O 272669853 QBQTWGUHXGFOKS-UHFFFAOYSA-N 314.349 -0.411 50 20 DBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)[C@@H]1CCCO1 292108579 IUBDIEGCSHMMQS-MXWKQRLJSA-N 323.349 -0.512 50 20 DBGD CN(C)c1cc(C(=O)NNC(=O)CN2CCCC2=O)ccn1 299235696 SXLGDLPPZLNXJK-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD CC(=O)NCC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584934258 PTUYJQNOOYLGSJ-UHFFFAOYSA-N 304.155 -0.645 50 20 DBGD Cn1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)n1 727314298 YKUPARYYKVHJKO-UHFFFAOYSA-N 307.335 -0.327 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)cc2)cn1 735462763 UGTGGQGLJBDXQE-UHFFFAOYSA-N 324.318 -0.258 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)C[C@@H]2CCCCO2)cn1 740812007 MTVCUHCSNHLTPL-JTQLQIEISA-N 302.356 -0.447 50 20 DBGD N#Cc1cccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c1 748239601 JGIOEZSAKSVKMG-UHFFFAOYSA-N 316.317 -0.293 50 20 DBGD C#CC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 754079483 JCWZFQPIPUWICQ-UHFFFAOYSA-N 314.389 -0.107 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)C1CCCC1 758043051 DMPNSJVHANMBON-RKDXNWHRSA-N 305.400 -0.102 50 20 DBGD O=C(NNC(=O)[C@H](O)c1ccccc1)C(=O)Nc1ccccn1 758840617 KZEZEFJOADRALT-GFCCVEGCSA-N 314.301 -0.099 50 20 DBGD Cn1cc(C(=O)NNC(=O)C#Cc2ccc3c(c2)OCO3)cn1 762223168 QDEDMNFWIYEEEI-UHFFFAOYSA-N 312.285 -0.039 50 20 DBGD CCN(CC(=O)NC)CC(=O)NNC(=O)Cc1ccccc1C 764200854 BBPKUFOSSGOKGG-UHFFFAOYSA-N 320.393 -0.247 50 20 DBGD COC(=O)[C@@H](CO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C 777819342 OOGJZCSRVYWGMA-RVFSUOIPSA-N 316.317 -0.238 50 20 DBGD O=C(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)C(=O)NC1CC1 792853466 NBNJQCZHSPZLLG-DIJRRZNFSA-N 315.373 -0.194 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@]1(C)CCNC1=O 823010199 JMCAKZGOBQZHJC-HNNXBMFYSA-N 305.334 -0.089 50 20 DBGD C[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 839533829 YQBJGEIFBHEMFG-JOYOIKCWSA-N 322.321 -0.189 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)CCOCC1CC1 842590936 TXVITWVYFFCSBA-GXSJLCMTSA-N 306.384 -0.211 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843646386 PYVVEAGYMKYGLM-VGMNWLOBSA-N 313.383 -0.132 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 844136517 DUDIURKLMDIACK-SECBINFHSA-N 304.306 -0.672 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=S)N[C@@H](C)C1CC1 855096510 BXNSJGCULVDWGN-JGVFFNPUSA-N 322.456 -0.392 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)CCc1ccccc1O 857118040 AZBGPMUJXOQSMF-GHMZBOCLSA-N 305.334 -0.016 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(C)COc2ccccc2O1 858168695 ZPUZOIIFTNKOFD-HNNXBMFYSA-N 321.333 -0.112 50 20 DBGD CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858248773 HZWBQYIPNVKLLT-XPXLGCRWSA-N 324.381 -0.201 50 20 DBGD COc1nc(N(C)C)sc1C=NNC(=O)[C@H]1CCC(=O)N1 863144711 DQELURONRKAJDS-SSDOTTSWSA-N 311.367 -0.054 50 20 DBGD COC(=O)[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1C 863879860 FMDPSIYTCNCAAA-SCZZXKLOSA-N 309.102 -0.471 50 20 DBGD COCCOCC(=O)NNC(=O)[C@]1(C)C[C@@H]1Br 913433592 LBBTVMRHRFFWFI-OIBJUYFYSA-N 309.160 -0.030 50 20 DBGD CC(C)Cn1ccc(C(=O)NNC(=O)CN2CCCC2=O)n1 913729064 GERKLZKDOTXYDF-UHFFFAOYSA-N 307.354 -0.078 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)CN2CCCC2=O)CC1=O 920435126 CPQHTEMLLBOHGQ-NSHDSACASA-N 324.381 -0.739 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1 921024930 JQRGEGVIMLGCFV-VHSXEESVSA-N 301.343 -0.758 50 20 DBGD Cn1nc2c(cc1=O)CN(S(=O)(=O)CBr)CC2 1116532123 HUSDZPWWYXQQJO-UHFFFAOYSA-N 322.184 -0.179 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1nncc(N)c1Cl 1319527933 BBICHMQSCJTDIZ-UHFFFAOYSA-N 302.722 -0.740 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)Cn2cnc(C#N)n2)c1 1319850769 QOTKMOWGJKPBNZ-UHFFFAOYSA-N 320.334 -0.303 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cnc2ccccc2n1 1320559101 BDBFIVWQJMVLHI-UHFFFAOYSA-N 316.321 -0.723 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nc2cc(C)ccc2n1C 1321792105 CPXUOLUMRJMKLR-UHFFFAOYSA-N 319.321 -0.115 50 20 DBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 1324640827 CKBVOPNSMQFYRV-VHSXEESVSA-N 308.342 -0.721 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2[nH]nnc2C)cc1 1327115296 ZNSPTISITKPBKK-UHFFFAOYSA-N 302.294 -0.179 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1346205363 KGMIMQFOBVTNBC-ZCFIWIBFSA-N 317.289 -0.296 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1(C(=O)O)CCSCC1 1588923201 KMKQOJGFPRHBLG-UHFFFAOYSA-N 317.367 -0.744 50 20 DBGD COc1cc(C(=O)NNc2cnnn2C)ccc1-c1nn[nH]n1 1591515779 NKLFOKWWJMRTHF-UHFFFAOYSA-N 315.297 -0.239 50 20 DBGD CCCNC(=O)c1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1595931120 ZZMHFWJLBXSEEM-UHFFFAOYSA-N 322.321 -0.259 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)C1(O)COC1 1606855834 JLVMHKCDUCWJBV-UHFFFAOYSA-N 310.701 -0.276 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cncc(C(=O)O)c1 1609882324 VAZHZEUOBGEDMN-ZETCQYMHSA-N 309.278 -0.118 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)C(=O)O)C[C@@H](C)O1 1610100758 KYXSANYJHSXCKR-AEJSXWLSSA-N 301.343 -0.646 50 20 DBGD C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795510810 BMBNZRCMRSXSIR-QUARPLMYSA-N 321.780 -0.295 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)N[C@H]2CC(=O)N(C)C2)c1 267684865 QJGAWEOSWNWWJG-NSHDSACASA-N 320.349 -0.065 50 20 DBGD Cc1cnc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 273381856 DWEKYLNURXJRIO-LURJTMIESA-N 321.384 -0.458 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)C(=O)N1CCCC1 299532667 ZTQKMQYHLFKBCL-JTQLQIEISA-N 324.381 -0.549 50 20 DBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1n[nH]c(C)n1 584952490 OAEMNLXVGFMDTB-NSHDSACASA-N 306.106 -0.187 50 20 DBGD CC[C@@](NC(=O)c1cc(B(O)O)ccc1F)(C(N)=O)C(C)C 584972911 JLQUQDRZDAEFJP-AWEZNQCLSA-N 310.134 -0.475 50 20 DBGD COC[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCO1 584984252 WHDXZIIBRDILJC-STQMWFEESA-N 311.118 -0.571 50 20 DBGD CC1(C)COCCN1CCNCc1ccc(B(O)O)cc1F 585032134 BTXKLAGHKBBFCY-UHFFFAOYSA-N 310.178 -0.294 50 20 DBGD C[C@@H]1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC(=O)N1 585053296 CYMBUXGQZOVARE-SCZZXKLOSA-N 301.111 -0.202 50 20 DBGD Cc1c(C(=O)NCB(O)O)nnn1-c1ccc2ncccc2c1 585060284 CTOHDZCPRRROTB-UHFFFAOYSA-N 311.110 -0.134 50 20 DBGD CN(C)CC(=O)NNC(=O)CCc1nc(-c2ccoc2)no1 740082991 ZFIFMJJEEVOCBB-UHFFFAOYSA-N 307.310 -0.029 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc[nH]n2)c1 744722733 ANQFRWXPKVOGAF-UHFFFAOYSA-N 313.273 -0.101 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cnn(CCOC)c1 747788870 ZNXWBOUSCRBCRD-UHFFFAOYSA-N 305.360 -0.568 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)C1=NN2CCCN=C2N1 748011910 HUBBEWUZDKOLBI-UHFFFAOYSA-N 300.322 -0.266 50 20 DBGD O=C(CNC(=O)Nc1ccccc1)NNC(=O)Cc1cc[nH]n1 755280911 FJTRGARVPIDIPR-UHFFFAOYSA-N 316.321 -0.079 50 20 DBGD CN(C)CCn1ccc(NC(=O)NNC(=O)c2cnn(C)c2)n1 756766622 XLCSKJUWNUXCKN-UHFFFAOYSA-N 320.357 -0.355 50 20 DBGD C=CCC(CC=C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758043079 FFCZSKSFZWFJNB-VIFPVBQESA-N 303.384 -0.160 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)C(=O)NC(C)C 758378492 OTMTVBANDLKJQK-UHFFFAOYSA-N 311.342 -0.912 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 764429711 WKQCTCFUZPNOQX-UHFFFAOYSA-N 316.657 -0.674 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-] 772234450 JKEOPNQDZRNXRX-ZCFIWIBFSA-N 313.270 -0.569 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 775668577 RKIJPQQPFCOZBZ-UHFFFAOYSA-N 315.355 -0.952 50 20 DBGD NC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)n1 782112756 TWEJCKOUDBGXDA-UHFFFAOYSA-N 300.274 -0.039 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 787838941 UFUSSAQHEAGCRD-IVZWLZJFSA-N 313.354 -0.233 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCN(CC(F)(F)F)C1 792109977 YBOBQXPDNPRZOM-VIFPVBQESA-N 324.303 -0.056 50 20 DBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802022618 DMPHABXDSUEFFL-JTQLQIEISA-N 305.338 -0.085 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNc1ncncc1F 817066983 FAJUTQWYIRFRLV-QMMMGPOBSA-N 305.335 -0.367 50 20 DBGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C(N)=O)C1 825308661 CUXHPFKDOPQZFI-MRVPVSSYSA-N 314.342 -0.734 50 20 DBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@@H]1CCCCO1 836653162 JJTVJKGPYQKQJS-OUAUKWLOSA-N 301.343 -0.310 50 20 DBGD Cn1cnn(CC(=O)NC[C@]2(C)C[C@@H]2Br)c1=O 857395145 QOWWOVCCTKLTIC-XVKPBYJWSA-N 303.160 -0.129 50 20 DBGD CN1CCC[C@@H](CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858535011 MIJQRIIHJNFXKF-QWRGUYRKSA-N 311.386 -0.673 50 20 DBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)N1CCN(C)CC1 861570961 RFJRKQFBKGVJBD-GFCCVEGCSA-N 313.402 -0.475 50 20 DBGD COC(=O)c1oc(C=NNC(=O)CS(C)(=O)=O)cc1C 863183442 AHXHNBDADOTOBP-UHFFFAOYSA-N 302.308 -0.131 50 20 DBGD COC(=O)[C@@]1(F)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 863874951 GKFKGXCJHJLWGY-CYBMUJFWSA-N 313.065 -0.767 50 20 DBGD CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCCCl)C1 881891928 QQBJBJNPTXTGBU-VIFPVBQESA-N 318.848 -0.041 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2ccc(=O)n(C)n2)c(O)c1 918337740 TZRALDJDYWTRBH-UHFFFAOYSA-N 302.290 -0.131 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cnn2cccnc12 920435049 BJLQVCAFGSLHKO-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 1116886158 HGDQVXXCCQJZJP-UHFFFAOYSA-N 307.353 -0.795 50 20 DBGD O=C(NNC(=O)c1c[nH]cc(Cl)c1=O)C(=O)N1CCCC1 1256661550 JPYQSTZFJQBRJL-UHFFFAOYSA-N 312.713 -0.588 50 20 DBGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n1 1319817639 DHHHRCDWEGYELU-UHFFFAOYSA-N 324.385 -0.423 50 20 DBGD COC(=O)c1c(F)ccc(NC(=O)C(=O)NNC(C)=O)c1F 1323906974 NDWPLTVRCASINB-UHFFFAOYSA-N 315.232 -0.143 50 20 DBGD COCCN(C)NC(=O)CCc1nc(O)c2cnn(C)c2n1 1327661303 FQUFAGSQCHRNJW-UHFFFAOYSA-N 308.342 -0.389 50 20 DBGD O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)[C@@H]1CCC(=O)N1 1330107546 DZQOVUBVTKMBEK-JTQLQIEISA-N 316.317 -0.850 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2ncccc2c1 1337979939 BMPFCHHKBXMTMX-UHFFFAOYSA-N 302.290 -0.297 50 20 DBGD Cn1cc(/C=C/C(=O)NNc2nc(O)c3cnn(C)c3n2)cn1 1340733046 OQBDIKLHYYBGLR-ONEGZZNKSA-N 314.309 -0.041 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1C 1549321677 USPUGPPTEGRFEL-DGCLKSJQSA-N 320.397 -0.201 50 20 DBGD C[C@H](C(=O)NNC(=S)NC(C)(C)C)N1CCNCC1=O 1575071075 HCJYYQSOKTVYFX-MRVPVSSYSA-N 301.416 -0.900 50 20 DBGD COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)NNC(=O)C(=O)O)C2 1598883288 WCNKLELQXQWBMQ-FXQIFTODSA-N 314.298 -0.979 50 20 DBGD O=C(NCc1ccnc(-n2cccn2)c1)NNC(=O)C(=O)O 1601544639 CAQNUVDJVWHYCH-UHFFFAOYSA-N 304.266 -0.818 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CC1)c1nnc(O)c2ccccc12 1601552955 PBIDGKQVCPFEIH-UHFFFAOYSA-N 316.273 -0.039 50 20 DBGD CCc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)s1 1605822821 XAIQYSARFWOSHK-UHFFFAOYSA-N 307.353 -0.112 50 20 DBGD O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843366796 PUHLSVWRNDJECE-JTQLQIEISA-N 302.689 -0.188 50 20 DBGD Nc1nccnc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 22991433 OODQUHVCZKVUAM-UHFFFAOYSA-N 315.289 -0.095 50 20 DBGD CCNS(=O)(=O)CCNS(=O)(=O)CBr 227979083 ATDQAUGYGKHXDE-UHFFFAOYSA-N 309.207 -0.803 50 20 DBGD CCN(C)S(=O)(=O)NNC(=O)c1cccc(OC)c1O 266755426 DSYIFUQBGZFZBA-UHFFFAOYSA-N 303.340 -0.168 50 20 DBGD COc1cc(C)nc(NNC(=O)NCCNC(=O)C2CC2)n1 266984052 UDAFXPSZURAOGW-UHFFFAOYSA-N 308.342 -0.054 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)NCc1ccco1 270319010 XHUPWTVFJYRXSQ-UHFFFAOYSA-N 304.328 -0.951 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)Cn2cnc3ccccc32)C1 276303368 KKHPPGFRGMOHPD-UHFFFAOYSA-N 315.333 -0.338 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494451181 GSSNWIZGQUIRCJ-GFCCVEGCSA-N 305.331 -0.944 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(c2ccccn2)CC1 584925650 YXQOUGINLNDZEG-UHFFFAOYSA-N 311.150 -0.276 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(CC(F)(F)F)CC1 584926525 RAEIPPWBEGZVJA-UHFFFAOYSA-N 316.088 -0.314 50 20 DBGD CN1CCC[C@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1=O 584976191 HRXKXXVREOKTKS-MRXNPFEDSA-N 316.166 -0.549 50 20 DBGD NC(=O)COc1ccc(CCNCc2ccc(B(O)O)o2)cc1 585015413 BHCPUSKWQUSYBO-UHFFFAOYSA-N 318.138 -0.844 50 20 DBGD Cc1cc(N2CCC[C@H](NCc3ccc(B(O)O)o3)C2)n(C)n1 585038666 JZYPQMYGDJDION-LBPRGKRZSA-N 318.186 -0.240 50 20 DBGD Cn1nnc2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)ccc21 585056988 GFKKYWVIAQWDCJ-QMMMGPOBSA-N 310.144 -0.794 50 20 DBGD Nc1nccnc1C(=O)NNC(=O)CNC(=O)c1cccs1 725902193 JMUOBXQOXJALNG-UHFFFAOYSA-N 320.334 -0.689 50 20 DBGD CC(C)NC(=O)CCCC(=O)NNC(=O)N1CCOCC1 732755726 ZVKVFIHUPWTIIJ-UHFFFAOYSA-N 300.359 -0.246 50 20 DBGD COC[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccc(C)c1 745319902 UYNSKAMGYKCPFY-OAHLLOKOSA-N 324.333 -0.303 50 20 DBGD Cc1nnc(NNC(=O)[C@H](C(C)C)N2CCCC2=O)nc1O 748556422 UCPUUSJUFJMOJJ-JTQLQIEISA-N 308.342 -0.024 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)N(C)C 758831280 FCUCETKKUFSVGA-NSHDSACASA-N 307.354 -0.246 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCN1 760236229 ULEKSSVBDKIOCS-SECBINFHSA-N 305.290 -0.298 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1C 764303882 QSBLNMOTHXFMMW-UHFFFAOYSA-N 323.305 -0.486 50 20 DBGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)N2CCOCC2)cn1 780515777 KMPPJQUOSGDELZ-UHFFFAOYSA-N 319.325 -0.503 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)Cc2ccccc2F)n1 787443089 WNAUUFXRCXVPGE-UHFFFAOYSA-N 307.289 -0.578 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)C1(CO)CC1 796501672 OPZONSRUGHNBJS-UHFFFAOYSA-N 302.334 -0.224 50 20 DBGD C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N1CCN(C)CC1 798315230 CKWXRHRHXBJNFS-QMMMGPOBSA-N 311.308 -0.485 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2C)c1 807115740 DOQMKQWPWNMAFU-LLVKDONJSA-N 319.321 -0.578 50 20 DBGD C[C@H](CO)N(C)NC(=O)CNS(=O)(=O)c1ccccc1F 823988477 TVKSLXRNPRXGDF-SECBINFHSA-N 319.358 -0.552 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1 825814599 GZIPLYDUKUCRQC-VXGBXAGGSA-N 304.306 -0.084 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)nn12 843642420 WNMIDTZKPJHGEY-BDAKNGLRSA-N 304.310 -0.381 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)C(=O)OC3)N1 861120871 KJAVACHLSNEKEO-SNVBAGLBSA-N 318.289 -0.212 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1ccc2c(c1)OCCO2 869914192 WOFRDHSUSOXORQ-UHFFFAOYSA-N 324.333 -0.189 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NN(C)C[C@H](C)O 910169309 AOAWHBYVFPJPCR-NWDGAFQWSA-N 321.443 -0.076 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCO[C@H]1CCOC1 927532215 WBEQGMLKOOLRFL-GARJFASQSA-N 301.343 -0.453 50 20 DBGD O=C(NNC(=O)N1CCN([C@H]2CCOC2)CC1)c1cn[nH]c1 1261792037 KBTAMAUGUQUUFF-NSHDSACASA-N 308.342 -0.829 50 20 DBGD CC(C)c1noc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1261931074 YDAIULWMJDGKRP-MRVPVSSYSA-N 324.341 -0.656 50 20 DBGD CCNC(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 1318324034 OKCOLGRYVDZHNL-UHFFFAOYSA-N 300.340 -0.561 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1 1320671438 VTDRRTRLPPYBGC-UHFFFAOYSA-N 305.338 -0.472 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(C#N)nc1 1322265575 YBLGHYWRGHZTDN-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD COCC(C)(C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1322998154 GBXVKHVJYJCLBJ-MRVPVSSYSA-N 307.372 -0.824 50 20 DBGD CN(C)c1nccc(NNC(=O)c2cn(C)c(=O)nc2O)n1 1323101406 QHQPJVBZATUNER-UHFFFAOYSA-N 305.298 -0.901 50 20 DBGD CCOc1cccc(NC(=O)C(=O)NNC(=O)C(=O)OC)c1 1326089432 FTNYKUHRTGOPSW-UHFFFAOYSA-N 309.278 -0.656 50 20 DBGD COc1ccnc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1 1549317199 WKCRGJGHFJEIIX-GHMZBOCLSA-N 305.338 -0.202 50 20 DBGD COCc1cc(NC(=O)C(=O)NNC(C)=O)cc(C(=O)O)c1 1599284171 GBKLVODBTZRHNQ-UHFFFAOYSA-N 309.278 -0.363 50 20 DBGD CSCc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)O 1599803279 TZXOCSUABYYHII-UHFFFAOYSA-N 311.319 -0.280 50 20 DBGD CC[C@@H](C(=O)O)C(=O)NNc1nccc(N2CCOCC2)n1 1609886048 CXYQWZBOAJHNGJ-SECBINFHSA-N 309.326 -0.133 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843188228 ZOFWXEUEDXYXHU-MRVPVSSYSA-N 313.745 -0.779 50 20 DBGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(C)=O)cc1 47835271 LAZHZWCPAWYTHD-UHFFFAOYSA-N 301.324 -0.351 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCN(C)C2=O)n1 265799668 NBKOGSZJJTVROV-JTQLQIEISA-N 308.342 -0.939 50 20 DBGD COc1ccnc(NNC(=O)CC(=O)NCC(F)(F)F)n1 272339821 HOLSCCXKWUPLSP-UHFFFAOYSA-N 307.232 -0.003 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(CC#N)cc1 273457913 HEJFOIHRDAQBQZ-SECBINFHSA-N 324.362 -0.549 50 20 DBGD Cc1ccc(F)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 273549629 YMRQHRDHACKNLW-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD O=C(NCCOCC(F)F)NNC(=O)C(=O)N1CCCC1 276426706 JFEZERLENMIUCE-UHFFFAOYSA-N 308.285 -0.779 50 20 DBGD C=C(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 278758711 SSCKERVOFQDJGX-OPRDCNLKSA-N 319.383 -0.947 50 20 DBGD CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 298940108 GQAOPYMERGJGSX-LLVKDONJSA-N 324.381 -0.406 50 20 DBGD COC(=O)CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 299287849 YETWFYRXXGZOFW-UHFFFAOYSA-N 324.293 -0.539 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 584911332 UNZHFZAYOVKYMC-JTQLQIEISA-N 304.155 -0.048 50 20 DBGD CCCC[C@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584960452 KXWQTGSGJQJLNP-ZDUSSCGKSA-N 322.145 -0.364 50 20 DBGD CCOC[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCO1 585009957 HQMWEUQWCUYHLH-LLVKDONJSA-N 311.118 -0.617 50 20 DBGD C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(B(O)O)cc1F 585041640 RPBDCUOGTBINGE-QPUJVOFHSA-N 301.148 -0.972 50 20 DBGD COCCOc1ncccc1C(=O)NNC(=O)c1cnn(C)c1 735446320 OIRDFAKBFIAXSJ-UHFFFAOYSA-N 319.321 -0.085 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1c(-c2cnccn2)noc1=O 742452041 OYDWQDPIRRZQAR-UHFFFAOYSA-N 320.309 -0.513 50 20 DBGD O=C(NNC(=O)c1noc2c1CCCC2)C(=O)N1CCCC1 748239046 DCKYZDMIVGTANT-UHFFFAOYSA-N 306.322 -0.063 50 20 DBGD CCOCC(=O)NNC(=O)Nc1c(OC)ncnc1N(C)C 757708209 DTMZSTFSHUNZHL-UHFFFAOYSA-N 312.330 -0.260 50 20 DBGD NC(=O)N[C@H](CO)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 765469566 PMMVAQHNMZFMCK-BJLLDDKASA-N 324.381 -0.621 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cc1cnn(-c2ccccc2)n1 768261885 PTHQPGDQMQSQQL-UHFFFAOYSA-N 303.322 -0.272 50 20 DBGD O=C(O)Cn1cc(C=NNC(=O)c2ccc3c(c2)OCO3)nn1 768477762 YLRXJJMAQPRWCL-UHFFFAOYSA-N 317.261 -0.145 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 775247987 NEIMXOBVPCISPZ-UHFFFAOYSA-N 306.271 -0.382 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ncncc1Cl 781831654 MTTOUALXJBPCQV-QMMMGPOBSA-N 319.774 -0.003 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)c2c[nH]c3ccccc23)CC1 816830080 QKDKEFYQYKFMPF-UHFFFAOYSA-N 322.346 -0.250 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O 826131247 ODEVUBWZHZQMAP-IUCAKERBSA-N 321.399 -0.435 50 20 DBGD CO[C@@H](CS(=O)(=O)NNC(=O)c1cnn(C)c1)C(C)C 842584865 KIFNKHUCAGCNAK-JTQLQIEISA-N 304.372 -0.345 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](CN)C2(CCOCC2)C1 843388652 VTBUELJLEAVHLY-NEPJUHHUSA-N 312.414 -0.380 50 20 DBGD CN(C)N(C(=O)CNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 849193403 RWLQHIKHDKAVQR-JTQLQIEISA-N 319.427 -0.359 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2COc3ccccc32)N1 858463957 FVZOFYUQHSTSKU-MWLCHTKSSA-N 318.333 -0.228 50 20 DBGD Cc1ccc2nc(C(=O)NNC(=O)CS(C)(=O)=O)cn2c1 863467788 LCOTYENOFBIWGF-UHFFFAOYSA-N 310.335 -0.552 50 20 DBGD COC(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCOCC1 863879008 SZJQMFKCXDNXCW-UHFFFAOYSA-N 321.138 -0.934 50 20 DBGD Cc1ccc(-n2cnnn2)cc1NC(=O)NNC(=O)CCO 1116609878 MGOHIFBIHUUSLV-UHFFFAOYSA-N 305.298 -0.494 50 20 DBGD COc1ccc(NNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 1118810152 DWRNEYGXXRDJKA-QMMMGPOBSA-N 308.298 -0.974 50 20 DBGD NC(=O)Cn1cc(C(=O)NN=c2cc[nH]c3ccccc23)nn1 1118828877 DOPBXORCMOYSGQ-UHFFFAOYSA-N 311.305 -0.510 50 20 DBGD O=C(CCC(F)(F)F)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1318733443 WQYBKOQCEJZQNM-LURJTMIESA-N 317.289 -0.154 50 20 DBGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCl)CC1 1319674200 GFJOYFIOOMSXFY-LLVKDONJSA-N 305.806 -0.089 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cncnc1N(C)C 1323944729 KLQQVEGADCKOAV-MRVPVSSYSA-N 308.342 -0.325 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCCS1(=O)=O 1324103683 VJDJJNYDYKPTLO-NSHDSACASA-N 311.363 -0.261 50 20 DBGD C[C@@H](C(=O)NNc1ncccn1)S(=O)(=O)C1CCOCC1 1340495904 SAKZTLTTYCKGHC-VIFPVBQESA-N 314.367 -0.098 50 20 DBGD CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 1347343055 DBSCFMACJHMXMQ-GFCCVEGCSA-N 304.155 -0.693 50 20 DBGD CCN1CC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590731516 VTRISVQZVGGYLV-NSHDSACASA-N 315.337 -0.278 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cccnn1 1591784476 PYCCHVVQAPKKJW-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD COC(=O)C(=O)NN[C@@H](C(=O)O)c1cccc(C(=O)OC)c1 1598684311 IPWAZPWTTQLBEW-SECBINFHSA-N 310.262 -0.607 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1 1605689750 LGVAYHWFWRIMBC-LBPRGKRZSA-N 311.338 -0.353 50 20 DBGD CCOC(=O)NNC(=O)CN1C(=O)NC(CC)(CC)C1=O 58096811 YZMFIBFIXQZOKS-UHFFFAOYSA-N 300.315 -0.126 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)[nH]n1 111543420 SXHRBMPNLOVNHC-PHIMTYICSA-N 309.370 -0.022 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 266287589 YDFWAUQXESAJIX-OYBPUVFXSA-N 323.349 -0.658 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)Cc1ccncc1)C(C)C 266951932 IDOIDZPTOGLMQU-AWEZNQCLSA-N 322.365 -0.441 50 20 DBGD C[C@]1(O)CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 267382721 UZEWEDCEYYWYMN-AWEZNQCLSA-N 322.321 -0.188 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 268375415 ZOXXIYIZHPUVDI-ZYHUDNBSSA-N 320.349 -0.028 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cncnc2)C[C@@H](C)O1 273645483 DMXPZNHUNKDACK-GHMZBOCLSA-N 307.354 -0.263 50 20 DBGD CN1CCN(C(=O)NNC(=O)CN2CCSC2=O)CC1 287755821 IRWSWROIXWMKKE-UHFFFAOYSA-N 301.372 -0.857 50 20 DBGD COCCOC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584949253 FBYXKUVQWZSHJL-UHFFFAOYSA-N 307.155 -0.366 50 20 DBGD CCCC[C@H]1C(=O)NCCN1C(=O)c1cccc(B(O)O)c1 584960450 KXFSECCNAKIATN-ZDUSSCGKSA-N 304.155 -0.503 50 20 DBGD O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(B(O)O)cc1 584970961 WDZFLVDWTTVBJY-UKRRQHHQSA-N 305.139 -0.566 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](N2CCCC2=O)C1 584980961 PHZKHDJCBIWJBT-CYBMUJFWSA-N 302.139 -0.797 50 20 DBGD CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(B(O)O)cc1F 585042456 QVFHBSJVJPTHBW-OCCSQVGLSA-N 313.178 -0.247 50 20 DBGD OB(O)c1ccc(CNC2CCN([C@H]3CCOC3)CC2)c(F)c1 585050455 ZKJVPSFSPVYQCU-HNNXBMFYSA-N 322.189 -0.152 50 20 DBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 744394888 LZJJLAFVUQFLGL-VIFPVBQESA-N 301.343 -0.946 50 20 DBGD CC1CC(C#N)(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758045534 OXVSIXMZPCLJKQ-JKDSDDBFSA-N 302.356 -0.989 50 20 DBGD CN(NC(=O)CCn1nc(O)c2ccccc2c1=O)C(N)=O 770436626 MPIYMLKKICUUHF-UHFFFAOYSA-N 305.294 -0.466 50 20 DBGD CON(C)S(=O)(=O)c1ccc(C(=O)NN(C)C(N)=O)cc1 770533465 QSPYTZRHDJUXFM-UHFFFAOYSA-N 316.339 -0.476 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ncccn2)O1 775455485 SUXQFWHPESOXIA-UWVGGRQHSA-N 308.342 -0.262 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 806771049 JZIHYPSJOIXMEF-ZETCQYMHSA-N 310.276 -0.751 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)CCc1ccccc1 813431929 BHOURHIBBBISAJ-ZDUSSCGKSA-N 321.377 -0.100 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)NCC(F)(F)F 813557192 BCPBDQCXVPKFOM-LURJTMIESA-N 314.264 -0.988 50 20 DBGD CN(CC(=O)NNc1nc2ccccc2n1C)S(C)(=O)=O 816578188 PWYPPOWEZKLGAD-UHFFFAOYSA-N 311.367 -0.092 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@H]1CCCO1 826649013 TXMDGGCLQANZKG-WISYIIOYSA-N 315.370 -0.064 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCCOCC1 826863533 ZUGQJPLQDNHCIX-NWDGAFQWSA-N 314.386 -0.536 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@H](C)CS(C)(=O)=O 827301488 YLGZBFVEWGOHLZ-KXUCPTDWSA-N 321.399 -0.483 50 20 DBGD COC(=O)c1ccccc1NNC(=O)C1=NN2CCCN=C2N1 831711142 AUJSADGVYHKCGM-UHFFFAOYSA-N 316.321 -0.105 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O 843971523 RAVSTKYPAVUPQM-QEYWKRMJSA-N 306.384 -0.372 50 20 DBGD COCCN(C)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 848378492 UGPSOEWNJQBLAR-UHFFFAOYSA-N 306.322 -0.409 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(C)o1 858697438 RUPRYKDYRVLRTJ-ZJUUUORDSA-N 324.337 -0.115 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=O)CCc2ccccc2)C1=O 859007066 YRIXYLYMSCBPQP-UHFFFAOYSA-N 318.333 -0.339 50 20 DBGD Cc1cc(C)cc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 861946091 KLERAUVCYQRUSZ-LLVKDONJSA-N 318.333 -0.332 50 20 DBGD O=C(COc1cc(F)cc(F)c1)NNC(=O)[C@@H]1CCC(=O)N1 862461653 LMRCQZYRCHARSN-JTQLQIEISA-N 313.260 -0.230 50 20 DBGD CCn1ncc(Cl)c1C(=O)NNC(=O)CN1CCCC1=O 913733984 DBZABBUEMLUZDU-UHFFFAOYSA-N 313.745 -0.060 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cncn2-c2ccccc2)N1 920314755 FTEGLSUZXMNZGI-LLVKDONJSA-N 313.317 -0.088 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)c2cnn(C)c2)cn1 1116511571 GHZFOYVLKOYZDY-UHFFFAOYSA-N 304.266 -0.929 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1121899568 HRBJSYYTWLYHIK-LLVKDONJSA-N 322.346 -0.311 50 20 DBGD Cn1cc(N2CC[C@H](NC(=O)c3cccc(B(O)O)c3)C2)cn1 1261852298 YPQHVQFHFVQYMX-ZDUSSCGKSA-N 314.154 -0.891 50 20 DBGD CCc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317925260 OHIBNCCKCSEBHQ-ZETCQYMHSA-N 300.340 -0.832 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C 1323669763 ZROWTFFFJXNFKU-VHSXEESVSA-N 301.343 -0.059 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccn(C)n2)cc1 1323941419 QGOGWEILXGJQSV-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2ncccn2)C1=O 1326016096 LVEHZAUKDLSADN-SECBINFHSA-N 320.353 -0.180 50 20 DBGD C[C@H](Cc1cccc(O)c1)NC(=O)NNC(=O)C(=O)NC1CC1 1328222227 XEIVORWSBRAEKX-SECBINFHSA-N 320.349 -0.068 50 20 DBGD C[C@H](CN)CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1328985172 NZTPDHBZNODQCG-VHSKPIJISA-N 306.204 -0.013 50 20 DBGD C=CC(=O)N(C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 1329393264 PHBPLZBXZBNIHY-UHFFFAOYSA-N 314.342 -0.697 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)OCC(F)(F)F 1329416429 LTKCASQMNYKXMB-UHFFFAOYSA-N 311.220 -0.349 50 20 DBGD C[C@@H](NC(=S)NNC(=O)COCc1nncn1C)C1CC1 1334459683 VEDBPGLAHGMWBM-MRVPVSSYSA-N 312.399 -0.375 50 20 DBGD Cc1csc(C(=O)NNC(=O)C(=O)Nc2nc(C)n(C)n2)c1 1335285959 VBXBPIADRXIFJM-UHFFFAOYSA-N 322.350 -0.107 50 20 DBGD N#C/C(=C\C1CC1)C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1339375182 DKMCFNSOKNTDEF-UAWPZABVSA-N 312.347 -0.307 50 20 DBGD O=C(NNC(=O)C1=NN2CCCN=C2N1)OCC(F)(F)F 1351094375 DDVHDAFCGYVYSO-UHFFFAOYSA-N 308.220 -0.716 50 20 DBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1(O)CNC1 1578297234 ZIDQSXKUHXDPNJ-UHFFFAOYSA-N 317.349 -0.920 50 20 DBGD CS(=O)(=O)c1ccc(NNC(=O)[C@H]2CCO[C@H]2CN)cc1 1579351695 QGJAHSTUPUGAOJ-RYUDHWBXSA-N 313.379 -0.103 50 20 DBGD N[C@@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1580404737 OCAASJFXVBUHHU-NQBHXWOUSA-N 317.349 -0.780 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@H](O)c1ccccn1 1593165244 YKWDVPUQQBRHMN-LLVKDONJSA-N 312.293 -0.167 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(CC(=O)O)CC1 1603761006 DMTDLWXJCRVWJH-NSHDSACASA-N 314.386 -0.729 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(C(=O)O)CCSCC2)nn1 1605481379 WTUTZUWIAOUUME-UHFFFAOYSA-N 313.339 -0.826 50 20 DBGD Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)NNC(=O)C1CCC1 1605510748 ZKMISJKEIJWUJE-UHFFFAOYSA-N 317.309 -0.163 50 20 DBGD O=C(NN=Cc1cccn2c(C(=O)O)cnc12)C(=O)NC1CC1 1776027224 LHGNTHYIZGLLCZ-UHFFFAOYSA-N 315.289 -0.239 50 20 DBGD C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783883963 XHWMLKOZOJAABC-FZMZJTMJSA-N 314.769 -0.297 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 110759617 HKVRTCXJGAEWDL-UHFFFAOYSA-N 307.270 -0.326 50 20 DBGD CC[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)N(C)C 151306426 XPYQQDLBIRWKMA-FRRDWIJNSA-N 314.430 -0.027 50 20 DBGD O=C(C[C@@H]1CSCCS1)NNC(=O)C(=O)N1CCCC1 269753884 SNDMGHJERLGKTE-SECBINFHSA-N 317.436 -0.005 50 20 DBGD CC(C)CC(=O)NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 278974485 NZRONDLTZRWBEU-AWEZNQCLSA-N 310.354 -0.100 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 286242307 GOAPPGZBDXNUFQ-SECBINFHSA-N 314.323 -0.554 50 20 DBGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc(B(O)O)ccc1F 584957126 FWDCMSZFAYZYAY-GXSJLCMTSA-N 311.118 -0.571 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](n2cccn2)C1 584993130 WEMFPFNLLMENRS-LLVKDONJSA-N 303.102 -0.211 50 20 DBGD C[C@]1(CNC(=O)c2cc(B(O)O)ccc2F)CCC(=O)NC1 585003503 MKNPHRSWILZYSK-AWEZNQCLSA-N 308.118 -0.848 50 20 DBGD CCN1CCN(CCCCNCc2cccc(B(O)O)c2)CC1 585015979 PKPDLBRDGQOVCI-UHFFFAOYSA-N 319.258 -0.126 50 20 DBGD CS(=O)(=O)C1CCC(NCc2cccc(B(O)O)c2)CC1 585025363 RVDKYVUBQZIWSP-UHFFFAOYSA-N 311.212 -0.188 50 20 DBGD NC(=O)[C@@H]1CCCCN1CC(=O)NNC(=O)c1cccs1 727239016 UZVVEMLNDFYEIZ-VIFPVBQESA-N 310.379 -0.151 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 727348437 JGMVNRHUQCCRRJ-UHFFFAOYSA-N 304.266 -0.044 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)c1ccncc1 732049041 MKAUDCLKPDRHMD-UHFFFAOYSA-N 303.278 -0.036 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 735457668 AXBKKYHEECDQEQ-UHFFFAOYSA-N 317.309 -0.894 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc([N+](=O)[O-])o1 751211103 BYBMRPUDOIKHEA-UHFFFAOYSA-N 322.233 -0.028 50 20 DBGD CC(C)C(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 760798986 KDLAHPVCFQCALZ-UHFFFAOYSA-N 303.322 -0.012 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc2c(cc1Cl)OCO2 764420893 GRHODEQUTJKIKX-UHFFFAOYSA-N 315.669 -0.853 50 20 DBGD C[C@H](CNS(=O)(=O)CBr)N1CCN(C)CC1 769934038 NAVBRSXIZQHOCA-SECBINFHSA-N 314.249 -0.106 50 20 DBGD Cc1cc(NC(=O)CSCC(=O)NN(C)C(N)=O)no1 770439502 HCYUWKNTYYYLNP-UHFFFAOYSA-N 301.328 -0.304 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnnn2C)cc1 798795951 QOBJPXOMWGTANV-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNc1nccc(N2CCOCC2)n1 807075566 CYXUPECNSCGABU-SNVBAGLBSA-N 320.353 -0.623 50 20 DBGD CCN(CCO)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 823869655 NTMZWYFMWZBUFG-UHFFFAOYSA-N 323.397 -0.099 50 20 DBGD COCc1nccc(NC(=O)NNC(=O)c2cnn(C)c2)n1 825489912 QXISYWMNDJHQCI-UHFFFAOYSA-N 305.298 -0.177 50 20 DBGD COc1nccnc1NNC(=O)[C@H](NS(C)(=O)=O)C(C)C 840571160 HENHNJOAPNWYNJ-MRVPVSSYSA-N 317.371 -0.498 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)N1 845363348 HXTCXTBPLUCKGN-LLVKDONJSA-N 311.363 -0.542 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCS2(=O)=O)c1 846856588 CGNLOYWYYGOPRH-NSHDSACASA-N 307.331 -0.104 50 20 DBGD COCCN(C)NC(=O)CNS(=O)(=O)c1c(C)noc1C 848377949 YEYGETQZEPZYSQ-UHFFFAOYSA-N 320.371 -0.821 50 20 DBGD CC1([C@@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)C2)OCCO1 863879637 XAJHBADQYYUFGL-CYBMUJFWSA-N 319.166 -0.018 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCN2CCN(C(C)C)CC2)n[nH]1 901252184 SLHRPMSWBFRONS-UHFFFAOYSA-N 322.413 -0.105 50 20 DBGD C[C@@]1(C(=O)NN2CCS(=O)(=O)CC2)C[C@H]1Br 912999459 STMXSBMPXJIAJY-VXNVDRBHSA-N 311.201 -0.079 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CS(C)(=O)=O 919684976 VWFSOMMYVATDJV-MRVPVSSYSA-N 318.326 -0.215 50 20 DBGD Cn1nccc1[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCO1 933537193 NAIDYNNZEVAJJD-LBPRGKRZSA-N 307.354 -0.649 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)C2CN(C(C)=O)C2)c1 1116735761 HQZMWMCNYQUALX-UHFFFAOYSA-N 321.333 -0.057 50 20 DBGD CO[C@]1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCOC1 1118185974 AIRWTSOZXAERNE-KWBADKCTSA-N 301.343 -0.453 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)c1n[nH]c2c1CCCC2 1251188886 USLIZJDTBJLBMB-UHFFFAOYSA-N 324.410 -0.514 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1321672516 OTCAVBXCRMDBOJ-UHFFFAOYSA-N 321.337 -0.275 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC2(CC1)CNC(=O)N2C 1326651004 YNRLBDQGSADSQR-UHFFFAOYSA-N 311.386 -0.721 50 20 DBGD COc1cc(C)nc(NNC(=O)c2cnn(C[C@@H](O)CO)c2)n1 1328166579 UGODHQSBNFCDMU-SNVBAGLBSA-N 322.325 -0.900 50 20 DBGD CCOC1CC(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1329175521 VPLZXJQYYMCDQC-ILDUYXDCSA-N 312.370 -0.199 50 20 DBGD COC1(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CCC1 1331366275 SGUFNUVQABMHFZ-UHFFFAOYSA-N 321.337 -0.080 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cnc(C(F)(F)F)nc2)N1 1331802264 CGDUDHVAQFBOKD-ZCFIWIBFSA-N 317.227 -0.465 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1346442633 BGRWUWQAWUASGU-HTQZYQBOSA-N 305.338 -0.439 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)CC2 1348123558 XVIQROOKYWEFCU-SECBINFHSA-N 304.314 -0.731 50 20 DBGD OB(O)c1ccccc1CNC[C@@H]1CC2(CCNCC2)CO1 1580876849 XOCOEKQNZVIPIM-AWEZNQCLSA-N 304.199 -0.385 50 20 DBGD Cc1cc(C(=O)NNC(=O)NCC2CC2)ncc1-c1nn[nH]n1 1591930396 SUWNDBPUNMTJTG-UHFFFAOYSA-N 316.325 -0.076 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(-c2nn[nH]n2)n1 1593158331 RKRZXBGOYMLWMV-SNVBAGLBSA-N 317.309 -0.408 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)c1ccnc(-c2nn[nH]n2)c1 1593158703 ZQBFCOCGYQFIRC-SECBINFHSA-N 319.350 -0.082 50 20 DBGD O=C(Nc1nc2n(c1C(=O)O)CCC2)c1ccc(B(O)O)cc1 1601632854 YEIYHAHALWEZNG-UHFFFAOYSA-N 315.094 -0.540 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@]2(C(=O)O)C[C@H]3CC[C@H]2C3)nn1 1605481298 QNHRDZRSHJVFHW-UVPNAGLESA-N 307.310 -0.533 50 20 DBGD O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)NNC(=O)C(=O)O 1608457164 DZWNUDBJJALUHP-QWRGUYRKSA-N 307.306 -0.026 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc2ncccc2c1 1610714134 IHKMRSWUQCSNTR-UHFFFAOYSA-N 302.246 -0.595 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)cc1F 49487689 HCOWWBAKHSEULX-UHFFFAOYSA-N 309.250 -0.215 50 20 DBGD COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 266852860 SDVNHNBIOIIVKG-UWVGGRQHSA-N 313.354 -0.362 50 20 DBGD Cn1c(NNC(=O)C[C@@H]2CNCCO2)nc2ccccc2c1=O 269200151 FTISIDBGFZWLNT-SNVBAGLBSA-N 317.349 -0.245 50 20 DBGD Cc1cc(C)nc(NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)n1 272559207 ZRPMVADZCRMAPR-MWLCHTKSSA-N 307.354 -0.188 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 288006862 PBHYRZWCNKYDSX-UHFFFAOYSA-N 323.309 -0.098 50 20 DBGD O=C(c1cccc(B(O)O)c1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 584944213 QBKCNERQFDFAGL-ZDUSSCGKSA-N 323.179 -0.842 50 20 DBGD CNC(=O)[C@]1(C)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584982392 GAJMAYIBMBTBGW-CQSZACIVSA-N 308.118 -0.896 50 20 DBGD C[C@H]1CN(CCNC(=O)c2cccc(B(O)O)c2)[C@@H](C)CO1 585005622 CYFJIGQRHQJAQC-RYUDHWBXSA-N 306.171 -0.795 50 20 DBGD C[C@H]1CO[C@H](C)CN1CCNC(=O)c1cc(B(O)O)ccc1F 585006569 ODXXTAHPPACYEX-WDEREUQCSA-N 324.161 -0.656 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CS(=O)(=O)C1CCCC1 732087104 UNUZSKYJIMTBMQ-UHFFFAOYSA-N 314.367 -0.163 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])[nH]1 740853190 XLPJHWHSCBTDEC-UHFFFAOYSA-N 311.298 -0.011 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1 746092256 HDVVOPZFQJBNDQ-GFCCVEGCSA-N 307.306 -0.493 50 20 DBGD COCCO[C@@H](C)C(=O)NN[C@@H](C(N)=O)c1ccc(C#N)cc1 748265459 GEQMDRWXWXJKNC-GXFFZTMASA-N 320.349 -0.243 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@]1(C)CCCO1 756078181 KTWMOZIXDRWLFV-GXFFZTMASA-N 303.359 -0.063 50 20 DBGD C[C@H]1CC(=NNC(=O)CSc2nnc(O)nc2O)CN1C 761804625 RHFZCAGKDUBNMN-LURJTMIESA-N 312.355 -0.429 50 20 DBGD N#Cc1ncn(CC(=O)NNC(=O)c2ccc(Cl)nc2)n1 769125664 IENKCANIZMUJNP-UHFFFAOYSA-N 305.685 -0.341 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 778713952 OJGJKUVAOJSUOK-SECBINFHSA-N 323.353 -0.024 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(F)cc1 783997360 SXKVYGFNHPCYOA-UHFFFAOYSA-N 322.296 -0.466 50 20 DBGD NC(=O)CCCC(=O)NNC(=O)CNC(=O)c1cccs1 787291075 SUJFEDWCDCJRMJ-UHFFFAOYSA-N 312.351 -0.719 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1nc2c(s1)CCCCC2 789740800 ZMCZCRZZURAFLM-UHFFFAOYSA-N 312.351 -0.510 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@](C)(C(N)=O)C2)c1 796581475 QOZPKBSZBHTRJU-INIZCTEOSA-N 318.377 -0.047 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCC(=O)N1 800244107 LOTWXWIFUMJGIV-VHSXEESVSA-N 313.354 -0.220 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 800694819 CQNCVXVOSZMKTA-UHFFFAOYSA-N 312.330 -0.211 50 20 DBGD NS(=O)(=O)c1ccccc1CNC(=O)NNc1cccnn1 807604852 FFFAKALJTPDXOT-UHFFFAOYSA-N 322.350 -0.050 50 20 DBGD Cc1c(C(=O)NNC(=O)NCC2CC2)nnn1-c1ccn(C)n1 814408425 VGTSAWVAEKSLIJ-UHFFFAOYSA-N 318.341 -0.337 50 20 DBGD O=C(CN1CC[C@H](C(=O)O)C1)NNC(=O)c1ccc(F)cc1 819151752 WTDPKZAKYOSLST-JTQLQIEISA-N 309.297 -0.007 50 20 DBGD C[C@H](C#N)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 819844313 CALMYJWGXPKOPF-MRVPVSSYSA-N 315.293 -0.447 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N2)cc1OC 854233535 CYFKBGQLSKWVCF-SECBINFHSA-N 307.306 -0.257 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 854840499 REASBAZEZJARGF-PBQZMEPESA-N 316.383 -0.395 50 20 DBGD C[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n1cncn1 855829667 QPLSDFROYFAQAE-JTQLQIEISA-N 324.385 -0.071 50 20 DBGD CCOc1cncc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 857207923 NJYFNFDXWXZUTC-SECBINFHSA-N 314.367 -0.132 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NOCc2ccc(F)cc2)N1 858360730 WICNSQXWTSQKNB-JTQLQIEISA-N 310.285 -0.134 50 20 DBGD Cc1cnc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)ccn12 862463413 CPMPPFBMMKMVOE-SNVBAGLBSA-N 301.306 -0.318 50 20 DBGD COC(=O)c1ccc(O)c(C=NNC(=O)CS(C)(=O)=O)c1 863189390 KYBNYHBWZJROLN-UHFFFAOYSA-N 314.319 -0.327 50 20 DBGD CCNc1ncc(C(=O)NNC(=O)CS(C)(=O)=O)s1 863467404 VWGNFKSXJUGMFH-UHFFFAOYSA-N 306.369 -0.620 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)N1 912977921 NRHJAIRYHMZGAL-BMYQGPEFSA-N 301.730 -0.659 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CC[C@H]1NC(=O)NC1=O)C1CC1 1118702721 HUHFGCYFMSWKBH-HTRCEHHLSA-N 313.383 -0.732 50 20 DBGD Cc1nnc(NNC(=O)CCCN2C(=O)CCC2=O)nc1O 1317848327 IAYDIPLTUIORKQ-UHFFFAOYSA-N 308.298 -0.742 50 20 DBGD C[C@@H](C(=O)NNc1nccc(N2CCOCC2)n1)n1cncn1 1319912563 LARIWJOKRFKRTR-JTQLQIEISA-N 318.341 -0.391 50 20 DBGD CO[C@H](C)CCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320002447 MUOYRKJXOMGFHT-RKDXNWHRSA-N 307.372 -0.681 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNC(=O)c1ccccc1O 1322771027 IMWRBIPHHSUCRA-UHFFFAOYSA-N 315.351 -0.229 50 20 DBGD CNC(=O)CCCC(=O)NNC(=O)CNC(=O)c1ccco1 1325948762 XLHJTNQDOXNWTD-UHFFFAOYSA-N 310.310 -0.927 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1O 1329192224 SAUDVCZXSDCPJT-SECBINFHSA-N 322.321 -0.490 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CCN(C3CC3)CC2)N1 1332411534 SKXRBTVCFOACED-LLVKDONJSA-N 309.370 -0.778 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 1337968970 SSCMFMRVVLIHSR-UHFFFAOYSA-N 319.321 -0.346 50 20 DBGD N#CC1=CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 1362314036 JSCSWESVNWCMOG-UHFFFAOYSA-N 315.337 -0.414 50 20 DBGD CN(NC(=O)c1ccc2c(n1)OCCO2)C(=O)N1CCNCC1 1578506780 XIWKFWQAMMJPGO-UHFFFAOYSA-N 321.337 -0.545 50 20 DBGD Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)[C@@H]1CCN1 1579853430 QAOJDBJPCXXMTM-QMMMGPOBSA-N 307.354 -0.089 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cnc(C(=O)O)cn1 1594780528 VFDPVKINLGJBPN-UHFFFAOYSA-N 302.250 -0.542 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc(C(=O)O)s1 1599248112 QIVNBYODVFVNFL-UHFFFAOYSA-N 302.308 -0.130 50 20 DBGD Cn1c(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1C(=O)O 1608087567 OWGBAQMXNOPOFT-QMMMGPOBSA-N 313.335 -0.392 50 20 DBGD O=C(O)Cc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 1608778138 OZQZWGWQLZBFSK-UHFFFAOYSA-N 305.290 -0.190 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCCCN2CCOCC2)[nH]n1 179663206 OVHZSCDOLMLVML-UHFFFAOYSA-N 309.370 -0.018 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 266347080 XEXRMVKLIGZVGR-CHWSQXEVSA-N 321.333 -0.696 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1O 266618045 SMXKKWSOEYMXFC-UHFFFAOYSA-N 315.351 -0.519 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 268375410 ZOXXIYIZHPUVDI-CMPLNLGQSA-N 320.349 -0.028 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1ncccc1C 276767867 SHJZYSFBSQSPMK-UHFFFAOYSA-N 316.383 -0.211 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CC[C@H]1C(N)=O 496298718 AAFSTZQREDMJSR-HTQZYQBOSA-N 314.342 -0.830 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)[C@H](C)N1CCOCC1 584942922 ZYUBKICXZDUUHH-RYUDHWBXSA-N 306.171 -0.795 50 20 DBGD CCN(Cc1cn(C)nn1)C(=O)c1ccc(B(O)O)c(F)c1 584973054 KKJAJRNWLWXWGY-UHFFFAOYSA-N 306.106 -0.704 50 20 DBGD CCOC1CC(O)(CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584983379 WPAINFLVCCBRTQ-UHFFFAOYSA-N 311.118 -0.835 50 20 DBGD Cn1ccc(S(=O)(=O)NNC(=O)c2cccc(C#N)c2)n1 728855036 WEQOLLRRGGHWPC-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)c2cnn(C)c2)c1[N+](=O)[O-] 735522750 XMOXGTDVGOEYJY-UHFFFAOYSA-N 307.270 -0.311 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ncccn2)CC1 744383823 DSNXNOHASXYVOE-UHFFFAOYSA-N 320.397 -0.208 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2cccs2)CC1=O 755289643 GYYAFJKJLIAESU-UHFFFAOYSA-N 310.379 -0.327 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)[C@@H]2COCCO2)c1[N+](=O)[O-] 767993868 YTDDQCGFHFBQAX-ZETCQYMHSA-N 313.270 -0.943 50 20 DBGD C=Cn1cc(C=NNC(=O)CSc2nnc(O)nc2O)cn1 773032361 ISUINQGFLVNLJP-UHFFFAOYSA-N 321.322 -0.178 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 779751613 GLFABRWAQFAALR-VHSXEESVSA-N 307.310 -0.740 50 20 DBGD COc1ccc(NNC(=O)c2ccc(S(N)(=O)=O)nc2)nc1 781534288 HXJGTEWBSLUNNJ-UHFFFAOYSA-N 323.334 -0.111 50 20 DBGD CC(C)OCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 784625854 JLVKELPAGPIAKQ-JTQLQIEISA-N 321.399 -0.291 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)c1[nH]nnc1C 800687674 DTMGLIDCFJURGJ-UHFFFAOYSA-N 304.310 -0.005 50 20 DBGD Cc1cc(C)nc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 801615259 GTXCTKHDDWTBNM-VIFPVBQESA-N 314.367 -0.603 50 20 DBGD CS(=O)(=O)CCCC(=O)NNC(=O)N=c1cc[nH]cc1 802022787 IBTPTYBDDNQKOX-UHFFFAOYSA-N 300.340 -0.519 50 20 DBGD CCCc1nnc(SCC(=O)NN=c2cc[nH]cc2)n1N 813512337 XBFIPWNXVBCHNX-UHFFFAOYSA-N 307.383 -0.003 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1CC1 819115000 YZFBCAMQZBKFHO-JTQLQIEISA-N 305.400 -0.102 50 20 DBGD C#CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 823850958 WKOVHIUEWGFLIV-UHFFFAOYSA-N 301.335 -0.391 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1 824692974 BUUBJBFKKQWHRA-SECBINFHSA-N 324.362 -0.353 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCOCC1 825535028 XXDAWAYJJBGYLX-MNOVXSKESA-N 300.359 -0.926 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)c1 832963213 OYPBJPFBLZIVCF-UHFFFAOYSA-N 303.278 -0.254 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccc(O)cc1 844147991 YXSWCMTTXKHXJD-CABZTGNLSA-N 321.333 -0.306 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](O)c1cnn(C)c1 854286064 SAZUPEYIRZEAAR-SNVBAGLBSA-N 315.399 -0.673 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1nccnc1N 855831346 OMRPNEPNHMOJEV-UHFFFAOYSA-N 322.369 -0.238 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H](O)C23CCCC3)N1 858699985 BRPJODCNYZOLNK-NXEZZACHSA-N 310.354 -0.615 50 20 DBGD Cc1ccnn1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 861766708 IUNTVJIOTPGDIO-LLVKDONJSA-N 300.384 -0.316 50 20 DBGD C[C@H](Sc1ccccn1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862456081 MCVUPUCWFXXHGP-DTWKUNHWSA-N 308.363 -0.012 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cnn1CC(C)C 862458139 YEMOAHSYZRSYQD-LLVKDONJSA-N 307.354 -0.113 50 20 DBGD Cc1cccc(NNC(=O)CNS(=O)(=O)c2cn(C)cn2)n1 862522531 XSGBSSPWDYZOLM-UHFFFAOYSA-N 324.366 -0.455 50 20 DBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1ccc(-n2cnnn2)cc1 863144905 HBXDJCVUIKYDHO-GFCCVEGCSA-N 313.321 -0.219 50 20 DBGD NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)[C@H]1CCC(=O)N1 863379328 VFIKABFEEIVAQJ-GHMZBOCLSA-N 308.313 -0.879 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 863457817 OGSSOWCEZLRHPP-UHFFFAOYSA-N 314.319 -0.721 50 20 DBGD COC(=O)C[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 863875559 AKQYZIPCFZIBRX-SNVBAGLBSA-N 309.102 -0.327 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1C1CC1 863886751 LQFWTECMKULPQF-UONOGXRCSA-N 317.150 -0.362 50 20 DBGD COC(=O)N(C)NC(=O)NC[C@H]1COC2(CCOCC2)O1 875464452 KPYFWEMFIHMTDP-VIFPVBQESA-N 303.315 -0.179 50 20 DBGD CN1C[C@H](O)C[C@@]1(C)C(=O)NNC(=O)Cc1ccccc1F 900639452 XOOSAZQDNVUDMX-ABAIWWIYSA-N 309.341 -0.029 50 20 DBGD O=C1CN(CC(=O)NNCC(F)(F)C(F)(F)F)CCN1 913163718 TYLUNAIRYZSDEV-UHFFFAOYSA-N 304.219 -0.763 50 20 DBGD CC(C)C(=O)NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 915189616 UWIPFPOXANJTHI-UHFFFAOYSA-N 305.294 -0.549 50 20 DBGD COC(=O)[C@H](CC(C)C)NC(=O)c1cc(B(O)O)ccc1F 916704562 OKKRTXSOXDSZCP-LBPRGKRZSA-N 311.118 -0.177 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)CC(F)(F)F 918366856 WUOJCJDGQZZXPH-UHFFFAOYSA-N 312.292 -0.457 50 20 DBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)N1CCN(C)CC1)C(C)C 935859970 DOQXMYSYWOOQED-CQSZACIVSA-N 313.402 -0.475 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(O)n1 1116496014 OGKIAWUYQVEEFP-QMMMGPOBSA-N 313.335 -0.709 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 1116618076 GHMPLSMIFPFVMW-UHFFFAOYSA-N 304.306 -0.081 50 20 DBGD Cn1nc2ccccc2c1C(=O)NNC(=O)C(=O)NC1CC1 1116653035 UPIACGSGDJXTOV-UHFFFAOYSA-N 301.306 -0.387 50 20 DBGD O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CN1 1119606297 DIGOWHQZPKMYRP-FXQIFTODSA-N 308.065 -0.624 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc2c1OCCC2=O 1254904859 GVIOIJKYLJDDJN-UHFFFAOYSA-N 321.289 -0.880 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1261497605 FHRGENLFLRJNSC-WPRPVWTQSA-N 307.354 -0.193 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cn1 1318073647 HUJOAHXRHSHHOK-UHFFFAOYSA-N 300.274 -0.039 50 20 DBGD Cc1ccncc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1328219825 HMRRKYMLBADJFR-VHSXEESVSA-N 306.322 -0.099 50 20 DBGD COc1ccc(C(=O)NNC(=O)NCC(=O)NCC#N)cc1 1329212098 HJMCZNQKRGGKLG-UHFFFAOYSA-N 305.294 -0.721 50 20 DBGD COCCCNC(=O)NNC(=O)c1cccc(-n2cncn2)n1 1330234881 YIJWCSXFHQNUAK-UHFFFAOYSA-N 319.325 -0.357 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1nnnn1C 1343761674 RHWSBDWNVQFIQR-QMMMGPOBSA-N 304.314 -0.761 50 20 DBGD Cc1[nH]nc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1O 1347528725 MNTKNGHXPJKKIS-QMMMGPOBSA-N 302.356 -0.470 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1(Oc2ccccc2)CC1 1348435077 DFEFWDKLNOYJNN-UHFFFAOYSA-N 312.347 -0.210 50 20 DBGD CC#CC[C@@H](N)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1574972553 NKJCQPYRLWFYHW-GFCCVEGCSA-N 323.374 -0.408 50 20 DBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1589218726 CPOBTPIEKXGXAS-JMCQJSRRSA-N 318.351 -0.931 50 20 DBGD CCN(CCO)NC(=O)c1nc(O)c(-c2nn[nH]n2)cc1C 1590714701 PVXGYNCHBCZTKL-UHFFFAOYSA-N 307.314 -0.765 50 20 DBGD CCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 1590744788 ZGECLQCOMYNHCG-QMMMGPOBSA-N 319.325 -0.016 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)n[nH]1 1594281138 TVHUFGSKHGDBAM-DTWKUNHWSA-N 310.310 -0.251 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1599801276 WQYWHHHJOPJHPZ-BWZBUEFSSA-N 321.424 -0.277 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843842988 LVMBGNRZPUQZPU-AXFHLTTASA-N 316.785 -0.440 50 20 DBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCC)cc1 65190438 VIQAEEFYSYAUEG-UHFFFAOYSA-N 324.362 -0.438 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)c(O)c1 264717350 FKFHISZFEKZXSA-UHFFFAOYSA-N 320.305 -0.596 50 20 DBGD COC(=O)c1coc(S(=O)(=O)NNC(=O)NC(C)C)c1 270026640 PGIJGWQKNISRFM-UHFFFAOYSA-N 305.312 -0.033 50 20 DBGD CCOC(=O)c1cnc(C)c(C(=O)NNC(=O)CN(C)C)c1 272091776 JKKWKQIMIDWNQH-UHFFFAOYSA-N 308.338 -0.111 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C[C@@H]1Oc2ccccc2NC1=O 277908342 HPQXOVHIBLNMGS-JTQLQIEISA-N 307.306 -0.306 50 20 DBGD COc1cc(C)nc(NNC(=O)C2(S(C)(=O)=O)CC2)n1 280405230 OKNHMAIDWZBXAQ-UHFFFAOYSA-N 300.340 -0.186 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cncc(F)c1 281967570 NOOWFNMYFVUNOE-ZCFIWIBFSA-N 319.318 -0.689 50 20 DBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(F)F)c1 298285990 VFQPAOTXMFKNAO-UHFFFAOYSA-N 321.305 -0.037 50 20 DBGD CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584937823 CNJVUJWDRJQFAN-NSHDSACASA-N 322.145 -0.506 50 20 DBGD O=C(O)NCCC(=O)NNC(=O)CNC(=O)c1cccs1 738657312 MSXBXVVBZMQJBZ-UHFFFAOYSA-N 314.323 -0.717 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 739297059 HKONDJVVSMBTAD-RQJHMYQMSA-N 311.319 -0.654 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)[C@@H]1COc2ccccc2O1 739453326 FOYDBTRFGGKXPE-XLDPMVHQSA-N 306.274 -0.306 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCCCO1 748626309 QWHFFMJKRDFGNV-WDEREUQCSA-N 303.359 -0.063 50 20 DBGD COC(=O)C[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 759052194 IEUZKQYBJDPJOY-VHSXEESVSA-N 306.384 -0.322 50 20 DBGD CC1(Cn2cc(C(=O)NNC(=O)c3ccncc3)nn2)COC1 759370259 RLQDGZAKSRLFIJ-UHFFFAOYSA-N 316.321 -0.216 50 20 DBGD CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CO 764422538 VRHUQPHQHSCJJW-UHFFFAOYSA-N 313.285 -0.309 50 20 DBGD NC(=O)C1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CCC1 769118013 BCIKFKBWBFKOTR-UHFFFAOYSA-N 319.317 -0.354 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1F 769739054 YIFLPCVJJDNVKH-UHFFFAOYSA-N 318.330 -0.173 50 20 DBGD C=CCNC(=O)CNC(=O)NNC(=O)c1ccc(C#N)cc1 776898841 AGNXJXZQWGQKRU-UHFFFAOYSA-N 301.306 -0.196 50 20 DBGD COc1nc(C)ccc1C(=O)NNC(=O)C(=O)N1CCCC1 777375072 DRPKFCBYNRUSII-UHFFFAOYSA-N 306.322 -0.218 50 20 DBGD C[C@]1(NNC(=O)N[C@H]2CCC[C@@H]2CCO)CCS(=O)(=O)C1 779715002 WAMBIFFIHGAZGP-MDZLAQPJSA-N 319.427 -0.082 50 20 DBGD O=S(=O)(CBr)NC[C@H](CO)[C@H]1CCOC1 795392705 HWQKWIVOZUZROS-JGVFFNPUSA-N 302.190 -0.097 50 20 DBGD O=C(CCOc1ccccc1)NN=C1C(=O)NC(=O)NC1=O 814219674 PXUIRHYHPWLJBB-UHFFFAOYSA-N 304.262 -0.706 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccc(F)cc1 823131270 DXRMRTDIRZBGHY-UHFFFAOYSA-N 303.261 -0.259 50 20 DBGD C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN(C)C(N)=O 824746599 WNUORXPPSCITBW-ZETCQYMHSA-N 305.298 -0.324 50 20 DBGD CSSCCNC(=O)CN(C)S(=O)(=O)N(C)C 846097745 MEHQNQXIZFEERS-UHFFFAOYSA-N 301.459 -0.148 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2nc(N)nc(N(C)C)n2)o1 846638095 HDSRQHYAMNTSNX-UHFFFAOYSA-N 305.298 -0.504 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC[C@@H](N2CCOCC2)C1 846936917 PPNATZBTNAIIMC-CYBMUJFWSA-N 312.414 -0.414 50 20 DBGD CN(CC(Cl)Cl)C(=O)CN(C)S(=O)(=O)N(C)C 848083314 UHYQEGCIJAHLQF-UHFFFAOYSA-N 306.215 -0.013 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C(C)(C)NC(=O)OC 854281056 OAHDUQSSKLSSRV-UHFFFAOYSA-N 320.415 -0.005 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)OCC(F)(F)F 856023451 JTPJZSJLELVTIL-UHFFFAOYSA-N 324.215 -0.754 50 20 DBGD CC(C)Oc1ncccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461674 LYQYBFZXJNQXST-SNVBAGLBSA-N 306.322 -0.092 50 20 DBGD C[C@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)COc2ccccc2O1 862463738 KTJIXPGUAQIXLO-RFAUZJTJSA-N 319.317 -0.358 50 20 DBGD COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(B(O)O)c1)C2 863884689 BZWABNUSROOVEV-DDTOSNHZSA-N 317.150 -0.220 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@]1(OC)CCSC1 885755584 MXLCCJWLXQYSLN-UFBFGSQYSA-N 304.368 -0.002 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CCn2ccnn2)cc1 915052357 RDODPLUBMQADPE-UHFFFAOYSA-N 314.305 -0.234 50 20 DBGD CN(C)N(C(=O)CCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1115863122 QKTYSRBTPHPQSQ-LBPRGKRZSA-N 314.411 -0.155 50 20 DBGD COc1cc(C(=O)NNC(=O)NC(C)C)ccc1OCC(N)=O 1115913452 NCGZNSDLAXLMMK-UHFFFAOYSA-N 324.337 -0.088 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1COCCN1CC 1117752574 KDPGWFCCEXRUAI-LLVKDONJSA-N 314.386 -0.841 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C2CCN(CC(F)F)CC2)N1 1118908977 DOXRIULFDYYKJT-SECBINFHSA-N 318.324 -0.611 50 20 DBGD COC(=O)CSCCNC(=O)NNC(=O)c1cnn(C)c1 1318621955 BHTMHPLKDUBSTC-UHFFFAOYSA-N 315.355 -0.730 50 20 DBGD COC[C@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)OC 1319963083 UBEFLKQKZGWYOE-GXSJLCMTSA-N 309.388 -0.971 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1320199455 GQTJGVVPQULWKH-VIFPVBQESA-N 321.399 -0.339 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 1323318476 JMAWCWLJFOJFDS-ZJUUUORDSA-N 324.337 -0.093 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1323944960 NTSZZLFSUCMBIB-JTQLQIEISA-N 324.385 -0.423 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1NCCc2ccccc21 1328728228 IXSLKVQOLNXCSW-NSHDSACASA-N 306.322 -0.623 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)N2CCN(C)CC2)n1 1331136327 YASRWMKFFVXRJE-UHFFFAOYSA-N 320.353 -0.957 50 20 DBGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)CCO)cc1F 1337980021 CTVZCDMQQRUTAM-UHFFFAOYSA-N 317.248 -0.558 50 20 DBGD COc1ncnc(N)c1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549318737 QXNNLRFAAXFBSI-GXSJLCMTSA-N 320.353 -0.619 50 20 DBGD O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNC(=O)c1ncccn1 1580703596 UJNWEQUOUXBHEA-JGPRNRPPSA-N 304.354 -0.049 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1589411104 BKLZXKANFBFEQC-UHFFFAOYSA-N 310.339 -0.168 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCn1ccc(C(=O)O)n1 1594644108 LGSHJMYOBGLBKZ-VHSXEESVSA-N 324.337 -0.066 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1cncc(C(=O)O)c1 1594782745 JUTIXDXKABAXFI-VIFPVBQESA-N 310.266 -0.652 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2cccc(C(=O)O)c2=O)o1 1600341086 MITXVSAJXMUVTE-UHFFFAOYSA-N 319.273 -0.091 50 20 DBGD COCCN(C)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1605095003 PVAFNCBMOXIABI-NSHDSACASA-N 306.326 -0.491 50 20 DBGD O=C(O)Cn1cc(C(=O)NNC(=O)OCC(F)(F)F)nn1 1606331682 TYVHODLBVZUBDL-UHFFFAOYSA-N 311.176 -0.704 50 20 DBGD O=C(O)Cn1cc(C(=O)NNC(=O)Cc2ccccc2O)nn1 1606331827 YVTDXIKAQSUABH-UHFFFAOYSA-N 319.277 -0.928 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)C(=O)N1CCCC1 1610700841 VZTYUALANCSPQU-MGCOHNPYSA-N 311.338 -0.353 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1 1841698132 PXDWSNQLDNVXBZ-SNVBAGLBSA-N 312.757 -0.174 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=O)Nc1ccccc1 283758549 MKWIDABOSDAMMG-UHFFFAOYSA-N 312.351 -0.125 50 20 DBGD O=C(CC1CC1)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 294159338 MZLXODCGAJIIBH-STQMWFEESA-N 318.333 -0.095 50 20 DBGD CCNC(=O)NC1(C(=O)Nc2cccc(B(O)O)c2)CCCC1 584909243 BFLDOPBPLLMOAU-UHFFFAOYSA-N 319.170 -0.063 50 20 DBGD CC(C)CCOCCNC(=O)COc1ccc(B(O)O)cc1 584910416 ZUAAHGLCNAEPQZ-UHFFFAOYSA-N 309.171 -0.076 50 20 DBGD Cn1c(C(=O)Nc2cccc(B(O)O)c2)c2n(c1=O)CCCC2 584912906 XNKSQGHJBKDWNN-UHFFFAOYSA-N 315.138 -0.545 50 20 DBGD CCCNC(=O)CN(CCC)C(=O)c1cc(B(O)O)ccc1F 584932738 QOGRQPOYMBYTPG-UHFFFAOYSA-N 324.161 -0.116 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)c1cc(B(O)O)ccc1F)CC2 584939780 KVEZXQOJXYNFJE-SNVBAGLBSA-N 318.117 -0.850 50 20 DBGD CC(C)NC(=O)C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584952545 PAIHVJHAXMLMPL-SECBINFHSA-N 310.134 -0.462 50 20 DBGD Cc1nc([C@H]2CCCN(C(=O)c3cccc(B(O)O)c3)C2)n[nH]1 584971636 WIRRBBYZHRWCEV-LBPRGKRZSA-N 314.154 -0.187 50 20 DBGD C[C@H]1CC[S@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584983055 OUXHEIAXOOZPKY-FPVGNUTFSA-N 313.159 -0.511 50 20 DBGD CCn1nccc1CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584983660 YVCIVCJHURGWKZ-UHFFFAOYSA-N 305.118 -0.006 50 20 DBGD CS(=O)(=O)CC1(CNCc2ccc(B(O)O)cc2F)CC1 585026107 IUSSWSZQQVWFIA-UHFFFAOYSA-N 315.175 -0.580 50 20 DBGD O=S1(=O)CCC[C@H]1c1nc(-c2cccc(B(O)O)c2)no1 585052457 MSUFEFZKDJZCRU-JTQLQIEISA-N 308.124 -0.334 50 20 DBGD Cn1c(NNC(=O)[C@H]2CCC(=O)N2)nc2ccccc2c1=O 733260653 NAPVBSFQYGWUQV-SNVBAGLBSA-N 301.306 -0.345 50 20 DBGD CC(C)NC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 733369202 KZDVFUFTGDIIOD-UHFFFAOYSA-N 318.330 -0.175 50 20 DBGD NC(=O)Cn1cc(C(=O)NNC(=O)CCc2ccccc2)nn1 742607768 MIQUUKDZZGBEBW-UHFFFAOYSA-N 316.321 -0.843 50 20 DBGD C[C@@H](C(=O)NNC(=O)CO)S(=O)(=O)c1ccc(F)cc1 753437994 APLNSQCJHCDPFC-ZETCQYMHSA-N 304.299 -0.872 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1OC(F)F 764421476 KDXVYFJNGKWFRL-UHFFFAOYSA-N 317.248 -0.325 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(C)c(S(N)(=O)=O)c1 768409256 GVJHFQIIERGWCO-UHFFFAOYSA-N 314.367 -0.051 50 20 DBGD CSCCNC(=S)NNC(=O)Cn1cccnc1=O 770238515 AVUZSABNDUXFAL-UHFFFAOYSA-N 301.397 -0.898 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)c3cccnc3O)nc21 770975039 TZJQPHVWHWJRLG-UHFFFAOYSA-N 301.266 -0.074 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn(C)c1N 772169252 FHWMMTAJQKFYCY-MRVPVSSYSA-N 311.342 -0.259 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1COCc2ccccc21 782220282 CSEIZUDQHYGPQB-VIFPVBQESA-N 311.363 -0.025 50 20 DBGD COc1cnc(C(=O)NNC(=O)CNC(=O)c2ccco2)nc1 815227982 NLJZEEVEGQUGSH-UHFFFAOYSA-N 319.277 -0.731 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 822547947 SQWSLDMQCUILQC-SNVBAGLBSA-N 310.383 -0.311 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)c1ccc(-c2nn[nH]n2)[nH]1 826449841 LSIYLAKWLAUQIS-UHFFFAOYSA-N 311.269 -0.382 50 20 DBGD CC(C)C[C@@H](NC(=O)O)C(=O)NNc1ccc(C(N)=O)nn1 826801200 WYFJRJAQBVOMGI-MRVPVSSYSA-N 310.314 -0.299 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCn2cc(Cl)cn2)CC1 830240672 IUHYZUWUZPAIMF-UHFFFAOYSA-N 314.777 -0.085 50 20 DBGD COC[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccc(C)cc1 844402351 PKVOIUIMTDTPPU-ZIAGYGMSSA-N 321.377 -0.162 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)Cc1n[nH]c(C)n1 854191002 QWEZQMQVCHSWJP-UHFFFAOYSA-N 319.321 -0.109 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CC(=O)N(C)C1 854280462 VTKGZABNFWGPCN-SECBINFHSA-N 302.400 -0.661 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)CCc1ccccc1O 857118042 AZBGPMUJXOQSMF-QWRGUYRKSA-N 305.334 -0.016 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc3c(c2)COC3)N1 858306957 WYXJUMHWWPTWBV-LBPRGKRZSA-N 318.333 -0.174 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCNC2)cc1C 861705142 IZDZVSFTZASFFC-GFCCVEGCSA-N 319.365 -0.066 50 20 DBGD CN(NC(=O)OCc1ccccc1)C(=O)Cn1ncn(C)c1=O 862290346 VXUOVAYTCZKTGM-UHFFFAOYSA-N 319.321 -0.118 50 20 DBGD N#Cc1ccc(CCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862450219 PGKFCRXLYOVMEQ-LBPRGKRZSA-N 300.318 -0.083 50 20 DBGD COC(=O)c1cccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862458142 YEOUJXBATHQEEQ-NSHDSACASA-N 319.317 -0.558 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccnc(N)c2[N+](=O)[O-])O1 862892007 NYOQDJYMVNJNJU-HTRCEHHLSA-N 309.282 -0.100 50 20 DBGD CCO[C@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863460241 POAMHZMNXSNYDW-LBPRGKRZSA-N 314.363 -0.044 50 20 DBGD O=C(N[C@H]1CCCC2(C1)OCCO2)c1cccc(B(O)O)c1 863877672 DDLUGRNHXGYWKA-ZDUSSCGKSA-N 305.139 -0.218 50 20 DBGD CCOC(=O)[C@@H]1CSCN1C(=O)c1cccc(B(O)O)c1 907908141 WRLKIQORPXPGDO-NSHDSACASA-N 309.152 -0.555 50 20 DBGD CCCNC(=O)NNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 921037889 DSVQZABSNYSGHS-SNVBAGLBSA-N 310.358 -0.357 50 20 DBGD C[S@](=O)c1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1 1116892375 DICMRBBMEBTRKD-QFIPXVFZSA-N 323.374 -0.608 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNc1nc2ccccn2n1 1263795914 HWMIJWXZCBXDSG-MNOVXSKESA-N 301.354 -0.439 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1319413144 LBCLDZYQCONUQF-MRVPVSSYSA-N 303.344 -0.691 50 20 DBGD C=CCNC(=S)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 1321718527 GQAUGRPBQANOML-QMMMGPOBSA-N 323.465 -0.412 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 1330376864 QPRSGWATBJGESY-VIFPVBQESA-N 322.369 -0.707 50 20 DBGD O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)[C@@H]1CCC(=O)N1 1331802876 JMBANKINDWNECG-JTQLQIEISA-N 305.338 -0.743 50 20 DBGD CN(C)C(=O)O[C@@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1351352965 NPRDYLJUZXYDDD-SECBINFHSA-N 310.314 -0.463 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1574106521 VVLPCPHTZDNWMM-LLVKDONJSA-N 318.289 -0.063 50 20 DBGD CC1(C)C[C@]1(C(=O)O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1589219027 GHJUYWRZFWCQAN-XLKFXECMSA-N 321.337 -0.511 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1592332264 YLLABURFKFNFNZ-UHFFFAOYSA-N 302.254 -0.434 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCCCC1)[C@@H]1COCCO1 1594779030 JAUASXGCJOCVLM-VIFPVBQESA-N 300.311 -0.416 50 20 DBGD COc1ccc(NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)nc1 1604821267 VCSJVIOOOQUIIK-JTQLQIEISA-N 322.321 -0.144 50 20 DBGD O=C(O)COc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1 1606285118 GYSHDTOLUACIFE-UHFFFAOYSA-N 304.262 -0.052 50 20 DBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)C3CC3)ccc21 15793949 PKQLTYGSZNVSNV-UHFFFAOYSA-N 316.317 -0.119 50 20 DBGD Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)CN(C)C 263913551 NFLBQBOFJMUKOJ-UHFFFAOYSA-N 313.379 -0.279 50 20 DBGD COc1ccc(NNC(=O)CN2CCS(=O)(=O)CC2)nc1 275532693 KJVGCLDZAURNKL-UHFFFAOYSA-N 314.367 -0.736 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccnnc1OC 288654888 AIJODTUPCSYVDL-MRVPVSSYSA-N 313.314 -0.311 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ncn(C)n1 290330198 BOGHCQKUBMPZNS-ZETCQYMHSA-N 312.330 -0.511 50 20 DBGD O=C(Cn1cnnn1)NNc1nnc(-c2ccccn2)s1 365025311 GRZBATNTQUHCRG-UHFFFAOYSA-N 303.311 -0.270 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNc1nccn(C)c1=O)C(C)C 493052773 NVBREKGRBXBXBV-VIFPVBQESA-N 311.342 -0.006 50 20 DBGD Cc1nccn1CCCNC(=O)c1cc(B(O)O)ccc1F 584932127 HFIACLMVWACVPH-UHFFFAOYSA-N 305.118 -0.169 50 20 DBGD CC(C)N1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584939329 VCZNHCHYNAHBMI-JTQLQIEISA-N 308.118 -0.755 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@H]1c1ncon1 584969801 XMWHXCXNYRLVPK-NSHDSACASA-N 321.073 -0.898 50 20 DBGD CN1CC[C@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)C[C@@H]21 584970431 CAPBWZRVPNUPQY-HZMBPMFUSA-N 306.146 -0.328 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@@H]2C1 585010434 QQFDXVXRANHECS-MPZDIEGVSA-N 305.114 -0.530 50 20 DBGD Cc1cc(CNCc2ccc(B(O)O)cc2)nc(N(C)C)n1 585038276 YNYWICPMJKPLKV-UHFFFAOYSA-N 300.171 -0.179 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 728436685 IDBWUNSFTQPQTI-QMMMGPOBSA-N 314.323 -0.017 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(CC(=O)O)cc1 737350134 UGHQASTZUJBVMB-UHFFFAOYSA-N 301.324 -0.222 50 20 DBGD Nn1c(SCC(=O)NNC(=O)C2CC2)nnc1C(F)(F)F 742447421 KXCIVDYLARPUNS-UHFFFAOYSA-N 324.288 -0.340 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2nccnc2C(N)=O)c(C)o1 746093875 ZIPQIFGWWJSOPI-UHFFFAOYSA-N 303.278 -0.140 50 20 DBGD Cc1cnc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1 758046885 UPINGHWCZBIASX-VIFPVBQESA-N 314.367 -0.603 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cncnc1 760566291 UMWIPJOGXJZAAK-UHFFFAOYSA-N 305.319 -0.271 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](F)c1ccccc1 769651603 UOZFUJAESGINEK-SCZZXKLOSA-N 317.342 -0.218 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC(=O)NC1 772023879 RAYRKGOHKFINMU-UWVGGRQHSA-N 313.354 -0.362 50 20 DBGD Cn1cnn(CC(=O)NNc2nc(-c3ccncc3)no2)c1=O 777799779 DMTGGKSISCRGKD-UHFFFAOYSA-N 316.281 -0.830 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccnn1CC1CC1 784915898 IIJRIWCFDSYUNV-UHFFFAOYSA-N 308.342 -0.076 50 20 DBGD CCO[C@@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1SC 807970841 YQEZBRLPHGBMBL-QNSHHTMESA-N 323.440 -0.063 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nn(CC)nc1C 815679294 FLEZWAIZCAVUKM-UHFFFAOYSA-N 310.358 -0.328 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)n1 824794039 KUCGEWZDUMEILH-SSDOTTSWSA-N 308.298 -0.741 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@]1(O)CCOC1 840241829 WCJSMQKGNITJRM-OTYXRUKQSA-N 312.297 -0.108 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](CN)CC(C)C 841951178 FUYCBGQHYCFHBR-QWRGUYRKSA-N 304.391 -0.258 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 845419191 FEQHZDFMPBRVBD-SECBINFHSA-N 320.415 -0.213 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)Cc2ncc[nH]2)n1 851874841 KMNOWRWVQSLEID-UHFFFAOYSA-N 322.394 -0.003 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN2C=O)cc1 854192636 GBTOLRYJYKYHEJ-CYBMUJFWSA-N 316.317 -0.295 50 20 DBGD COCn1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)n1 854233101 XOAHDYWEKJZWJU-UHFFFAOYSA-N 306.326 -0.238 50 20 DBGD CCN1CCCC[C@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858211624 FCFFHJJVGPNGQT-QWRGUYRKSA-N 311.386 -0.530 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC(c3cn[nH]c3)CC2)N1 858694736 CGOUYWIHKZCKCE-LLVKDONJSA-N 320.353 -0.392 50 20 DBGD O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1CCC(=O)N1 862452405 KLOGBQXBMUIQNQ-VIFPVBQESA-N 321.293 -0.567 50 20 DBGD CCCn1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 862455321 FKBVJEXZBZTSTB-JTQLQIEISA-N 307.354 -0.050 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccnc(Cl)c2F)N1 862457116 BBGXWPHSINWEOU-LURJTMIESA-N 300.677 -0.086 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2noc3c2CCCCC3)N1 862459244 PTKKNEHEPUWLNS-SECBINFHSA-N 306.322 -0.017 50 20 DBGD CN1CCN(CC(=O)NNCC(F)(F)C(F)(F)F)CC1=O 863100732 WXJGYKUADZHYQW-UHFFFAOYSA-N 318.246 -0.421 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CC(F)(F)C(F)(F)F 869482234 HOOGKGMPNYOAJS-UHFFFAOYSA-N 312.216 -0.234 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NN(C)C[C@@H](C)O)c1 910178631 NYYWOWUQFJLTRS-SNVBAGLBSA-N 315.395 -0.058 50 20 DBGD COCCCNC(=O)NNC(=O)CCCNC(=O)C1CC1 920861933 CKGJLUQEPDRTLB-UHFFFAOYSA-N 300.359 -0.340 50 20 DBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)N1CCOCC1 1318036525 CGAWPUBPHULDFO-UHFFFAOYSA-N 309.326 -0.707 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H](C)N1C(=O)CCC1=O 1319962289 JRSBHJBXWXKBGR-SSDOTTSWSA-N 318.424 -0.618 50 20 DBGD Cn1ncc2c1C[C@@H](C(=O)NNc1nccn(C)c1=O)CC2 1322587830 HRNOKBICTZCDCH-VIFPVBQESA-N 302.338 -0.238 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 1323165879 AZHZDTVVXAZFRA-UHFFFAOYSA-N 300.340 -0.208 50 20 DBGD O=C(NNC(=O)[C@H]1CCn2ccnc2C1)C(=O)N1CCCC1 1324567317 QPMZPDFEQFJCCW-JTQLQIEISA-N 305.338 -0.785 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)C[C@@H]2CCCOC2)cn1 1325848807 NFBACDALQXCCAO-SECBINFHSA-N 302.356 -0.589 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)N=c1cc[nH]cc1 1329252747 IXDRBYWRUZVGQE-WCBMZHEXSA-N 322.325 -0.705 50 20 DBGD O=C(Cn1cnc2sccc2c1=O)N1CC[C@@H](B(O)O)C1 1329673393 XKDYXSNBAZIFFE-MRVPVSSYSA-N 307.140 -0.467 50 20 DBGD CCn1nncc1CNC(=O)NNC(=O)Cc1ccncc1 1330441385 PXFRHVBWZUSEBY-UHFFFAOYSA-N 303.326 -0.234 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)C2CCOCC2)CC1=O 1330845951 VSIHSXYSTGJCGA-JTQLQIEISA-N 312.370 -0.388 50 20 DBGD CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1C 1337981625 QVXANWUVJWVSHG-UHFFFAOYSA-N 308.294 -0.968 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)c2ncn(C)n2)n1 1338532719 POUGZESINFMRSN-JTQLQIEISA-N 320.357 -0.280 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1573372559 WNHRLGVNDHSMMH-HTQZYQBOSA-N 315.326 -0.136 50 20 DBGD COc1ccc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)CO 1605248126 AZUUFYGTBGDBHJ-UHFFFAOYSA-N 307.270 -0.980 50 20 DBGD COc1ccnc(NNC(=O)c2cnccc2-c2nn[nH]n2)n1 1605338382 MBIJNOHDJPRFSD-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)C(=O)Nc1ccccn1 1608477364 HKNXVMYILBWTCV-UHFFFAOYSA-N 318.289 -0.578 50 20 DBGD O=C(NNC(=O)c1ccc2nccn2c1)C(=O)N1CCCC1 68324786 GMDHGCKGHMIDEE-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD CCCS(=O)(=O)CC(=O)NNC(=O)C(=O)NC(CC)CC 265899860 UMHYWCMGRAAVSF-UHFFFAOYSA-N 321.399 -0.737 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)COc1ccccc1 277985197 PAGLEZWUTHNAAW-UHFFFAOYSA-N 309.322 -0.900 50 20 DBGD COc1ncccc1NC(=O)NN[C@H]1CCS(=O)(=O)C1 299042921 RRKNVFKOSWRZPO-QMMMGPOBSA-N 300.340 -0.097 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 299238402 VUUGSEOMRUMNNM-MRVPVSSYSA-N 315.351 -0.606 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)CC2CCCC2)nn1 299638052 ZWTXRVUSKSYLQJ-UHFFFAOYSA-N 322.369 -0.292 50 20 DBGD COC[C@@](C)(NCC(=O)NNC(=O)c1ccccc1)C(=O)O 328408682 GJRNHAGFJQNWAZ-CQSZACIVSA-N 309.322 -0.473 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 370155684 IJHXVVJQKLMABX-SECBINFHSA-N 324.341 -0.871 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494741065 CDZHLKCZUICKJV-UHFFFAOYSA-N 318.330 -0.595 50 20 DBGD CCOC(=O)NNC(=O)CSCC(=O)NNC(=O)OCC 495685808 IACDAGIMWSOHOK-UHFFFAOYSA-N 322.343 -0.726 50 20 DBGD O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(B(O)O)cc1 584970959 WDZFLVDWTTVBJY-DZGCQCFKSA-N 305.139 -0.566 50 20 DBGD O=C(NCc1cnc2n1CCCC2)c1cc(B(O)O)ccc1F 584995878 XYZBPNBJRAXOOV-UHFFFAOYSA-N 317.129 -0.032 50 20 DBGD CC(C)[C@H](CNCc1ccc(B(O)O)cc1)N1CCN(C)CC1 585018486 WGMYKFKJOQNXKS-KRWDZBQOSA-N 319.258 -0.272 50 20 DBGD O=C1NCCCN1Cc1nc(-c2ccc(B(O)O)cc2)no1 585050682 HMMDQWGIJNZRIL-UHFFFAOYSA-N 302.099 -0.668 50 20 DBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)NCc1ccc(F)cc1 585068941 IYJQVPTUQPMDOL-NSHDSACASA-N 323.133 -0.300 50 20 DBGD CS(=O)(=O)NC1CN(S(=O)(=O)CCCCCl)C1 702951755 JOFDNRVJZVVQIH-UHFFFAOYSA-N 304.821 -0.431 50 20 DBGD O=C(NNC(=O)[C@H]1CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 728381975 SKAVQNFUIBKWON-NTSWFWBYSA-N 315.178 -0.238 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 743813243 UKUOYZCGDGTAQT-UHFFFAOYSA-N 317.279 -0.894 50 20 DBGD Cc1nc(SCC(=O)NNC(=O)N2CCOCC2)n[nH]1 746185670 WDDIFWIXVLLIJY-UHFFFAOYSA-N 300.344 -0.722 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCOC[C@@H]2C#N)n1 746478987 SOPMPDBUUSZMCQ-JTQLQIEISA-N 323.378 -0.634 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)c1ccc(S(N)(=O)=O)o1 752228449 BZDJOEJXQLBGQI-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD CN(C)CCn1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 756763914 BNENNIRWNRCXOH-UHFFFAOYSA-N 320.357 -0.437 50 20 DBGD Cc1cscc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758043526 ICLNSLMOZYKIRY-ZETCQYMHSA-N 305.381 -0.245 50 20 DBGD CCCCCn1nc(C)cc1NC(=O)C(=O)NNC(=O)CO 764422546 WALJNTPXQWCEGF-UHFFFAOYSA-N 311.342 -0.540 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 764428014 AUXCAZGHMZCXRR-UHFFFAOYSA-N 321.211 -0.337 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(CO)n1 767083009 FLHBLZVJRKLJQO-SSDOTTSWSA-N 301.372 -0.029 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc(S(N)(=O)=O)c1 775613796 UFFHISOZNGUMCB-UHFFFAOYSA-N 315.355 -0.952 50 20 DBGD Cn1cncc1CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 776317417 FGAZWJJFFKSGSI-ZDUSSCGKSA-N 316.317 -0.050 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NNc2ccccn2)n1 779058820 VEZTXKRASBKLJX-UHFFFAOYSA-N 304.314 -0.090 50 20 DBGD COC(=O)CNC(=O)NNC(=S)NCCc1cccnc1 779721661 TXWUNZKSFBDYGK-UHFFFAOYSA-N 311.367 -0.525 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCCS1(=O)=O 798313185 BNRHVXKJOFELBF-LURJTMIESA-N 317.289 -0.154 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc2nnc(O)n2c1 802027566 LZDYDXCWLKHVGK-UHFFFAOYSA-N 313.277 -0.282 50 20 DBGD NC(=O)C(=O)NN=C1CCS(=O)(=O)c2ccc(Cl)cc21 812378567 JHGOLCVBSDPLJG-UHFFFAOYSA-N 315.738 -0.177 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)Cn1cc(C(=O)O)nn1 832977408 SFSQHSOGKGKBAO-UHFFFAOYSA-N 303.278 -0.254 50 20 DBGD Cc1cccc(C(=O)NNC(=O)C2=NN3CCCN=C3N2)n1 834816655 ZKNBUDUGYWGQFJ-UHFFFAOYSA-N 301.310 -0.871 50 20 DBGD CSSCCNC(=O)NCCNS(=O)(=O)N(C)C 838588873 XBMCBQBSXDKWDY-UHFFFAOYSA-N 316.474 -0.307 50 20 DBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842590335 OEUHVWVQOALSHE-IUCAKERBSA-N 302.356 -0.537 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(NC(=O)OC)CC1 852767448 SPKDQMBWPJOUSV-VIFPVBQESA-N 300.359 -0.247 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(Cl)n(C)n2)CC1 854381903 UKUHQRQBYUINPT-UHFFFAOYSA-N 300.750 -0.325 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 854925264 CEXFUFRHHGYYTP-SNVBAGLBSA-N 321.406 -0.103 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CCNS(C)(=O)=O)C1CC1 855101734 DPEKYBRUUKHWRU-SSDOTTSWSA-N 308.429 -0.781 50 20 DBGD C[C@H](NC(=S)NNC(=O)CCNS(C)(=O)=O)C1CC1 855101736 DPEKYBRUUKHWRU-ZETCQYMHSA-N 308.429 -0.781 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOc2cccc(F)c2)N1 858137261 KQXBEGVEXCANLG-NSHDSACASA-N 324.312 -0.187 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2cccc(O)c2)N1 858695935 GXXUUIJAPVSNIN-LLVKDONJSA-N 306.322 -0.456 50 20 DBGD O=C(N[C@H]1CCN(CC(F)F)C1)c1cc(B(O)O)ccc1F 863884257 FEPKHGPFECZEDK-VIFPVBQESA-N 316.088 -0.425 50 20 DBGD Cn1cc(C(=O)NN=Cc2cn(C[C@H]3CCCO3)nn2)cn1 872352798 HJOICVBOIWPZPR-GFCCVEGCSA-N 303.326 -0.046 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCc2cccnc21 913732989 RBFQQFLFBAYCJG-NSHDSACASA-N 302.334 -0.119 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CCN(CC(C)C)C1 1116252234 ALOOVERUYIZLRK-JTQLQIEISA-N 300.359 -0.532 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 1116407612 PSHVSNNQPBUVBM-PRJMDXOYSA-N 319.408 -0.131 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1C 1116618052 FJRJTKZQLZPYPF-UHFFFAOYSA-N 317.309 -0.533 50 20 DBGD O=C(NNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ncccn1 1118561619 OECQIUMLSUDCOX-SECBINFHSA-N 320.309 -0.643 50 20 DBGD CNC(=O)NNC(=O)CCS(=O)(=O)c1ccc(OC)cc1 1251227425 KUGIBNLHJKJHOP-UHFFFAOYSA-N 315.351 -0.181 50 20 DBGD NC(=O)C(=O)NN=Cc1cc(O)cc(Br)c1O 1319705297 IEXHKIRYXHALII-UHFFFAOYSA-N 302.084 -0.204 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C)ccc1OC 1320600053 PKPRQXHLTXVQHP-UHFFFAOYSA-N 309.278 -0.737 50 20 DBGD CS(=O)(=O)c1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)c1 1331723697 WTTDDILQBLVRSB-LLVKDONJSA-N 309.347 -0.181 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc2scnc2c1 1338694123 QTJKGGZCTFGOPT-UHFFFAOYSA-N 322.302 -0.445 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnnn1C1CCNCC1 1576903478 KKAPQMNCHQIORB-ONGXEEELSA-N 322.369 -0.611 50 20 DBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CC(=O)O 1590184663 JCAVDFJSBKOWHG-UHFFFAOYSA-N 303.315 -0.087 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)COCC(=O)O)cc1C 1594375858 TWAZSEZCYWQURJ-UHFFFAOYSA-N 310.306 -0.069 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 1599747283 NJJCOTHMAKTPEO-SFYZADRCSA-N 306.340 -0.931 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(C(=O)O)nn1 1608477108 FPAQXUMHYOROFF-ZXFLCMHBSA-N 321.293 -0.105 50 20 DBGD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCl 1608703152 MAHPWENNQOVHMF-ZCFIWIBFSA-N 305.761 -0.914 50 20 DBGD CC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1795436424 NQAYYUSLDPOXII-LMLFDSFASA-N 302.758 -0.187 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2cnccn2)CC1 111199739 OVHSPVHJILKGRI-NSHDSACASA-N 306.370 -0.456 50 20 DBGD COCCCNC(=O)NNC(=O)Cn1c(C)c(C)sc1=O 139530619 AZYWICLRNIWISG-UHFFFAOYSA-N 316.383 -0.106 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cn(C)cn2)C[C@H](C)O1 179073008 UGWCTMFEMMZSEN-QWRGUYRKSA-N 309.370 -0.320 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 271038407 FECOBRVGNIZJSD-UHFFFAOYSA-N 320.305 -0.580 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2nnc3ccccc3n2)CC1 290578220 ZGIDDLUDVIGWEW-UHFFFAOYSA-N 315.337 -0.373 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(CCO)C[C@@H](C)O 298675176 YPYMEPPVINOCKF-CYBMUJFWSA-N 323.393 -0.640 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 368271521 IYECDCZVECYNHN-ZETCQYMHSA-N 313.260 -0.543 50 20 DBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@@H](C)CS(C)(=O)=O 584946438 ZZRNKCDKLNTBBL-JTQLQIEISA-N 313.184 -0.738 50 20 DBGD CC(=O)N1c2ccc(S(=O)(=O)NCB(O)O)cc2C[C@H]1C 585053995 FLSKVSKVKVTECH-MRVPVSSYSA-N 312.156 -0.726 50 20 DBGD NS(=O)(=O)c1ccc(N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])c1 585073501 MATOHHMJKNDLDK-ZETCQYMHSA-N 315.116 -0.705 50 20 DBGD CN(C)CC(=O)NN=C1CCN(CCN2CCOCC2)CC1 731558291 QESIDSLSHSISBD-UHFFFAOYSA-N 311.430 -0.552 50 20 DBGD CN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736860397 OYCSJYIEFPTFLV-LLVKDONJSA-N 315.337 -0.278 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)S(C)(=O)=O 740851300 YBJDQHNBYQXIHT-UHFFFAOYSA-N 321.399 -0.738 50 20 DBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)NCc2ccco2)S1 742586241 SOGUVOHUTQLBOB-ZETCQYMHSA-N 311.323 -0.334 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)NCC2CC2)CC1=O 746167042 MFVMCUNPHPWNOO-LLVKDONJSA-N 311.386 -0.863 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(F)ccc1O 755700030 UZRSFOKYLRMUGU-SSDOTTSWSA-N 303.315 -0.081 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)Cc2ccccc2F)nn1 763043005 AHNZJWPRMIRROP-VIFPVBQESA-N 321.312 -0.139 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccnc(F)c1 764341052 BGIHDFFBCMMGIN-UHFFFAOYSA-N 317.280 -0.193 50 20 DBGD CC(=O)NCC(=O)OCC(=O)NNC(=O)c1cccc(C)c1 764485010 DNUFTYUELGSJHL-UHFFFAOYSA-N 307.306 -0.565 50 20 DBGD CCNC(=O)N(C)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 768413680 UXYJAFNMHGCYKC-SNVBAGLBSA-N 310.358 -0.405 50 20 DBGD C[C@@H](CO)N(CC(=O)NNC(=O)c1cccs1)C[C@@H](C)O 785537487 PTUVBDJUKVPKJD-VHSXEESVSA-N 315.395 -0.427 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 795083396 ASFCGVKXTNGUNS-VHSXEESVSA-N 305.400 -0.701 50 20 DBGD CCn1c(NNC(=O)[C@H]2CC(=O)N2)nc2ccccc2c1=O 820691195 BLPMAVFBVVRXRD-SNVBAGLBSA-N 301.306 -0.252 50 20 DBGD CSC(C)(C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 823434022 GLRUCRDPIZKYJR-ZETCQYMHSA-N 309.413 -0.355 50 20 DBGD C[C@@H](C#N)CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 824035313 WSGMFXGCYJVDFZ-QMMMGPOBSA-N 314.309 -0.030 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H](C)O1 839472970 AOKYIFUIPHFRBS-LMLFDSFASA-N 314.342 -0.702 50 20 DBGD CCCCNC(=O)NNS(=O)(=O)N1CCC(OC)CC1 849306893 AKVHOHHGMCRMHJ-UHFFFAOYSA-N 308.404 -0.054 50 20 DBGD CC(=O)N[C@@H](CC(=O)NC[C@]1(C)C[C@H]1Br)C(N)=O 857733330 JDHOOQLRGUDZPO-RNSXUZJQSA-N 320.187 -0.344 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCOC(=O)N1 859269818 HHOOHBKXNRSTRR-MRVPVSSYSA-N 309.278 -0.583 50 20 DBGD C[C@H](NNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(F)(F)F 862307585 YPFMEYYHGMNABJ-BQBZGAKWSA-N 303.306 -0.018 50 20 DBGD Cc1nc(S)sc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452522 XXUBRDHOIQQDBS-LURJTMIESA-N 314.392 -0.291 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCc3ccccc3O2)N1 862458896 GCWILUGGQZWIHF-CMPLNLGQSA-N 303.318 -0.194 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 863411980 DUYAFERNIWYGFN-JTQLQIEISA-N 315.326 -0.278 50 20 DBGD COCCOCC(=O)NNC(=S)NC[C@@H]1CCCCO1 865244048 ABPFVRHFWRFGTN-JTQLQIEISA-N 305.400 -0.286 50 20 DBGD NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)CCCCl)C1 881909574 NEJBDGULENYIFX-SECBINFHSA-N 318.848 -0.054 50 20 DBGD O=C(NNC(=O)C(F)(F)c1nccs1)C(=O)NC1CC1 1255794061 PTDFSHDQJWAGCG-UHFFFAOYSA-N 304.278 -0.339 50 20 DBGD CN(C)c1nccc(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 1318770991 KYZBFZVTGOOJPD-VIFPVBQESA-N 313.383 -0.190 50 20 DBGD O=C(CO[C@H]1CCOC1)NNC(=O)[C@@H]1COc2ccccc2O1 1318972798 DJJKFAMIVKXTLF-GWCFXTLKSA-N 322.317 -0.221 50 20 DBGD CC(C)(C)n1cnc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 1324690014 FYBQWJXLLJQNCH-UHFFFAOYSA-N 308.342 -0.584 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CC1)CNC(=O)C2 1325991702 WWUFJMVYNAMGEU-QWRGUYRKSA-N 324.381 -0.246 50 20 DBGD COCCOCC(=O)NN=Cc1cn(C[C@H]2CCCO2)nn1 1330110822 YOTYXFFKSOZFPC-GFCCVEGCSA-N 311.342 -0.430 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)OCC(F)(F)F 1352443164 JGIDCKJEERZIBP-JGVFFNPUSA-N 310.276 -0.306 50 20 DBGD COCCN1CC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1 1353033918 CYFXVLHJRBSAPW-GFCCVEGCSA-N 314.386 -0.536 50 20 DBGD CNC[C@H](O)[C@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1 1578648146 YYVWHUOGFDOYGE-CBAPKCEASA-N 300.746 -0.288 50 20 DBGD CSSCCNC(=O)N[C@@H]1CC(=O)N(C2CNC2)C1 1579385137 VFUZXCXZQZOFFG-MRVPVSSYSA-N 304.441 -0.131 50 20 DBGD O=C(NCC1CC1)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1593029273 VOOUSICKHFZKLU-UHFFFAOYSA-N 302.298 -0.384 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(CC(=O)O)c2)nn1 1600932352 NIDAMBOWMOEFFO-UHFFFAOYSA-N 303.278 -0.483 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccc(F)c1-c1nn[nH]n1 1603166808 VARWYSMRRLYCLO-UHFFFAOYSA-N 308.273 -0.462 50 20 DBGD CN(C)N(C(=O)[C@@H]1CC[C@H]1C(=O)O)[C@H]1CCS(=O)(=O)C1 1604074973 QKRMJLUKCIVMNB-IVZWLZJFSA-N 304.368 -0.411 50 20 DBGD NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563469 OKMSUFCKQNLBLR-GUBZILKMSA-N 317.773 -0.947 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)CC[C@@H](C)O)n1 173563087 UWCQCFLBNFFPFS-SNVBAGLBSA-N 314.411 -0.156 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C)ccc1F 272408423 GDSJEQXCQLAXHY-UHFFFAOYSA-N 319.314 -0.200 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1CCCCS1(=O)=O 275060799 WWASNORDBRBIKV-MRVPVSSYSA-N 300.340 -0.104 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(=O)N1CCCC1 299500092 PYQNIYVFCIUQDL-UHFFFAOYSA-N 314.342 -0.719 50 20 DBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584968127 IFDPINKLYAWWIC-JOYOIKCWSA-N 308.118 -0.850 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@]2(CCOC2)O1 584984524 WBECMJQDZKAEBQ-MEBBXXQBSA-N 323.129 -0.475 50 20 DBGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCB(O)O)cc1 585060551 GLDKFNRQFYIJOX-UHFFFAOYSA-N 314.172 -0.543 50 20 DBGD COc1cccc(O)c1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 728435370 ZHFPGMLVTUFVKD-MRVPVSSYSA-N 315.351 -0.211 50 20 DBGD O=C(CCc1ccccc1O)NNC(=O)CN1CCCNC1=O 730033652 LGDHWKCKJUMGMW-UHFFFAOYSA-N 320.349 -0.113 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccn(C)n2)C[C@H](C)O1 732261663 FGNSMQGVVGXEBM-QWRGUYRKSA-N 309.370 -0.320 50 20 DBGD CCc1ncsc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 749661964 AMDCNAOEWNHDFD-ZETCQYMHSA-N 317.392 -0.099 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CCc2nc[nH]n2)cc1 750607784 ZVKRITZTJRDBMS-UHFFFAOYSA-N 314.305 -0.165 50 20 DBGD O=C(CO)NNC(=O)C[C@@H](c1ccccc1)N1CCOC1=O 753440670 WUQFCJQSILTFIN-NSHDSACASA-N 307.306 -0.290 50 20 DBGD NC(=O)Nc1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755268148 CWLPJRVOHPDGGE-UHFFFAOYSA-N 302.294 -0.096 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCN1 760240672 GNUOTMWSNWRAMI-CABZTGNLSA-N 319.317 -0.500 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(=O)OC)c1 764299645 GMQPLUKIJKTRTI-UHFFFAOYSA-N 323.305 -0.486 50 20 DBGD C[C@@H]1C[C@@H]1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764818968 YDLBIYSWHKJPLK-RKDXNWHRSA-N 318.337 -0.808 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](CO)OC[C@@H]1C 766944665 KOMIMRRMZGLYPT-SRVKXCTJSA-N 301.387 -0.350 50 20 DBGD CCCC[C@@H](NC(=O)NCC)C(=O)NNC(=O)c1cnn[nH]1 771466765 JWSFWXJGBFPIJC-MRVPVSSYSA-N 311.346 -0.556 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cc2csc3nccn23)CC1 773673088 MLZGQKLPPZGJSI-UHFFFAOYSA-N 322.394 -0.074 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779726216 YJRWIKWUECODFO-MNOVXSKESA-N 306.322 -0.239 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(F)cc1F 779843706 CEQOONCREYKSPX-UHFFFAOYSA-N 323.277 -0.370 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)c1cnnn1C 798826126 PWDHEMLIYYHYFX-UHFFFAOYSA-N 305.294 -0.336 50 20 DBGD COCCN(C)NC(=O)CN(C)S(=O)(=O)c1cccnc1 816561734 JTEKZKSKFKTKOS-UHFFFAOYSA-N 316.383 -0.689 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc2c(c1)C(=O)NCCO2 822547160 IMJKDHSWPFZSCA-UHFFFAOYSA-N 308.363 -0.110 50 20 DBGD CCN(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 823846996 PZMOISDJPKWXIE-SECBINFHSA-N 321.424 -0.240 50 20 DBGD CC(C)NC(=O)NNC(=O)CCn1cnc2c(N)ncnc21 824404347 OFEZGDDZZAWGBT-UHFFFAOYSA-N 306.330 -0.463 50 20 DBGD CC(=NNC(=O)Cc1ccncc1)c1cn(CC(=O)O)nn1 825798421 JHSYWKCJZPDCSJ-UHFFFAOYSA-N 302.294 -0.159 50 20 DBGD O=C1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCN1 826479057 PPMISZUSDNCTQQ-SECBINFHSA-N 301.310 -0.164 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(C)o1 829831739 RCMTXEIBRHOGSJ-QMMMGPOBSA-N 303.340 -0.323 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 843661888 OFZSLABQHVLFOH-HTQZYQBOSA-N 308.294 -0.551 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)[C@H]2CCNC2=O)cc1OC 854233991 SBFQJYVSHNBIEL-JTQLQIEISA-N 321.333 -0.009 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)[C@@H]2CCCC[C@H]2N1 854292019 VYEAWOIOUGGFDR-GARJFASQSA-N 322.365 -0.893 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS(=O)(=O)C1)c1cccc(F)n1 856427275 TUDKEVOBSRAKPR-MRVPVSSYSA-N 315.326 -0.194 50 20 DBGD CN1CCC[C@@H](CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858535012 MIJQRIIHJNFXKF-WDEREUQCSA-N 311.386 -0.673 50 20 DBGD CCn1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1=O 861173977 DVWVEBKIGZNKFQ-QMMMGPOBSA-N 307.310 -0.701 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CCNC1 861706628 CWTMPCHZVHCPFL-MRVPVSSYSA-N 311.367 -0.830 50 20 DBGD CNc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] 862448974 KCFDDYCYOQEQDE-SECBINFHSA-N 321.293 -0.324 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCC(=O)c1cccs1 863457036 CFBBIOCNSPVIEK-UHFFFAOYSA-N 318.376 -0.097 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C1(O)CCSCC1 913732189 LTRICIIBDAEYNL-UHFFFAOYSA-N 301.368 -0.986 50 20 DBGD COc1ccnc(NNC(=O)CNC(=O)c2ccncc2)n1 914861393 RPXNICHJLDHLFW-UHFFFAOYSA-N 302.294 -0.247 50 20 DBGD CC[C@H](CO)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 916572146 VRFXMCOAOVGCJF-SNVBAGLBSA-N 310.310 -0.284 50 20 DBGD CC(=O)NCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 917362503 LKEMXDCQZNMZON-UHFFFAOYSA-N 317.305 -0.525 50 20 DBGD O=C(NC[C@@H]1CCN(C2CC2)C1)NNC(=O)C(=O)N1CCCC1 1115925602 QETSBJRIJUGPAY-NSHDSACASA-N 323.397 -0.577 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1116626841 FTRVITSVNMRKDH-UHFFFAOYSA-N 308.298 -0.165 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nnnn1CC1CC1 1118126651 SQPNKJGSTPQEGE-PSASIEDQSA-N 323.357 -0.662 50 20 DBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1 1119663845 WOULZRVRKPVWNY-NSHDSACASA-N 310.354 -0.985 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CN2C(=O)CNC2=O)cc1 1317668101 MMAVQXYFWCIICU-UHFFFAOYSA-N 320.305 -0.927 50 20 DBGD C[C@@]1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCOC1 1319956935 WLJKENSGSWNJPX-BXKDBHETSA-N 319.383 -0.679 50 20 DBGD COCCn1cc(NC(=O)NNC(=O)CN(C)C)ccc1=O 1320409780 FQCVDFOUQLQHNU-UHFFFAOYSA-N 311.342 -0.791 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)CCNC(N)=O)c1 1323491387 GJCQAOPUDAFEBV-UHFFFAOYSA-N 300.340 -0.408 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1326364032 NSUURSWUMZNGKJ-GUBZILKMSA-N 307.354 -0.508 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1588573681 ITFSDQFXCUUUJN-VIFPVBQESA-N 321.337 -0.439 50 20 DBGD CCS(=O)(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1590847765 LZPNWQRSGBRYDQ-UHFFFAOYSA-N 311.327 -0.861 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@](C)(Cn1cccn1)C(=O)O 1590939019 OJHMZYPPUGIVFO-CYBMUJFWSA-N 311.342 -0.881 50 20 DBGD O=C(Cn1c(O)nnc1O)NNc1ccc(-c2nn[nH]n2)cc1 1592934764 PKYOHWLSQLSIAY-UHFFFAOYSA-N 317.269 -0.987 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)COc1cc(C)cc(C)c1 1593909126 PRCZLXJOIABZJY-GFCCVEGCSA-N 310.306 -0.071 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CC[C@@H](CCC(=O)O)O2)nc1O 1600798218 CRFXJAKBGXJUFI-JGVFFNPUSA-N 311.298 -0.259 50 20 DBGD O=C(N[C@H](C[C@@H]1CCCOC1)C(=O)O)c1ccc(B(O)O)cc1 1601411437 QITYXHBZUVNMJF-GXFFZTMASA-N 321.138 -0.634 50 20 DBGD O=C(NCc1ccnc(C(=O)O)c1)c1cccc(B(O)O)c1 1601544649 CPKMBDZOMBBBLF-UHFFFAOYSA-N 300.079 -0.610 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1604671525 WMALWGCHCCJDFD-UHFFFAOYSA-N 317.356 -0.607 50 20 DBGD CSc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1C 1610386226 DVDFOACRUODVPY-UHFFFAOYSA-N 311.319 -0.113 50 20 DBGD O=C(C1CC(O)C1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841348465 SIYNCIWWWDFTLG-VQXHTEKXSA-N 316.785 -0.440 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)[C@H]1CC(=O)N(CC(F)(F)F)C1 32261691 RAGGYSVYCHVVOL-YUMQZZPRSA-N 323.271 -0.276 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)NC(C)C)c1 46772721 OWNLQENEQIODTM-UHFFFAOYSA-N 309.322 -0.011 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnn(C)c2)C[C@@H](C)O1 111545073 WDRRKYYOSSYBBA-PHIMTYICSA-N 309.370 -0.320 50 20 DBGD CCCn1c(=O)n(CCC(=O)NNC(=O)CO)c2ccccc21 182745987 KESYRYUBFRFPEL-UHFFFAOYSA-N 320.349 -0.257 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2nc(C)cc(OC)n2)nn1 267040824 FPBOPTCWLVMWQX-UHFFFAOYSA-N 321.297 -0.685 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1F 273543050 XHYOFQAHRVOJDJ-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C 291737872 CTDJUVXBVMURBD-NSHDSACASA-N 323.349 -0.411 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NNC(=O)N(C)C)C2=O 299399022 UWYXRBYNLOACKU-UHFFFAOYSA-N 304.306 -0.107 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1 299429115 KVNKUONANLRZEK-UHFFFAOYSA-N 315.351 -0.070 50 20 DBGD CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584944196 BNJNQPUPMDDKRH-SNVBAGLBSA-N 308.118 -0.896 50 20 DBGD O=C1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CN1CC(F)(F)F 585078381 YFSDBJLECNVBPX-SFYZADRCSA-N 308.065 -0.528 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCO3)cn1 735461476 IYDKMWSVEFBZQB-UHFFFAOYSA-N 322.346 -0.022 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)N2CCOCC2)CC1 746179813 ZTZXZZCWJTVNCG-UHFFFAOYSA-N 313.402 -0.913 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCN1CCCS1(=O)=O 747110733 PYVGNIKXGNCCCM-UHFFFAOYSA-N 306.388 -0.602 50 20 DBGD CS(=O)(=O)N1CCC(=NNC(=O)N2CCOCC2)CC1 747630116 IQSGHWXASYREAH-UHFFFAOYSA-N 304.372 -0.560 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCOC1 748619611 TXCOPQICQJSWGJ-MNOVXSKESA-N 303.359 -0.205 50 20 DBGD CC(C)OC[C@@H](CO)N(C)CC(=O)NNC(=O)C(C)(C)C 763873752 DRRYWLNMMDAZGT-LLVKDONJSA-N 303.403 -0.102 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C(C)(C)O 767323407 ZYFVXBAVFZSYTH-UHFFFAOYSA-N 308.334 -0.001 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)NC1CC1 770891659 HSFQCBLYVRANSI-QMMMGPOBSA-N 306.388 -0.557 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1O 788023279 KAFFUJANARHHPB-SNVBAGLBSA-N 312.347 -0.104 50 20 DBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)S1(=O)=O 805772651 MLRDIDLOPMWJIC-KOLCDFICSA-N 317.411 -0.559 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCc1cnnn1C 807613848 SAAGSYXNNHPZQL-UHFFFAOYSA-N 318.337 -0.103 50 20 DBGD O=C(CNc1ccccc1F)NN=C1C(=O)NC(=O)NC1=O 814214112 SDCMODWDHZWHDD-UHFFFAOYSA-N 307.241 -0.924 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1c[nH]c(C(=O)O)c1 814835604 WONDZOMVKDJWDD-LURJTMIESA-N 302.312 -0.899 50 20 DBGD CC(C)C(=O)Nc1cc(C(=O)NNC(=O)c2cnn[nH]2)ccn1 815443023 GOAXSRHPQRHNJO-UHFFFAOYSA-N 317.309 -0.131 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)[C@H]1CCc2nnnn2CC1 846231909 PDQHVHNAFZCNQI-UWVGGRQHSA-N 308.342 -0.658 50 20 DBGD O=C(C[C@@H]1COc2ccccc2O1)NNC(=O)[C@@H]1CCC(=O)N1 862458568 BODXSUBYWHLBLJ-ZJUUUORDSA-N 319.317 -0.358 50 20 DBGD CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 863879431 SPEWATYLAYSITN-BDAKNGLRSA-N 311.118 -0.177 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=S)Nc1cccc(C)c1 873775273 ACQTZSKSILJBQS-UHFFFAOYSA-N 316.408 -0.138 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 903894072 NVCKMMJWRVXRPO-UHFFFAOYSA-N 306.365 -0.190 50 20 DBGD CS(=O)(=O)N1CC(C(=O)NNC(=S)NCC2CCC2)C1 912107640 OTIIIOIZLXIOHK-UHFFFAOYSA-N 320.440 -0.827 50 20 DBGD CCn1c(NNC(=O)Cn2cnnn2)nc2ccccc2c1=O 920284336 KNNUNRQEXGAVTE-UHFFFAOYSA-N 314.309 -0.454 50 20 DBGD CCOCCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 1328614846 SWQWXKHOSWXGSD-UHFFFAOYSA-N 323.353 -0.697 50 20 DBGD C[C@@H]1CC(NC(=O)NNC(=O)C(=O)N2CCCC2)C[C@@H](C)O1 1341508540 NUXZZXVLULNIPF-NXEZZACHSA-N 312.370 -0.105 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)N=c2cc[nH]cc2)nn1 1344704717 FYIQDVSVNKCFJQ-MRVPVSSYSA-N 305.298 -0.999 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)n1 1349160103 UPIGSYBJOIBANH-QWRGUYRKSA-N 306.370 -0.375 50 20 DBGD CC(C)[C@@H](N)C(=O)NCCC(=O)NNC(=O)Cc1ccccn1 1575442388 SJVYDVPDTHMBBM-CQSZACIVSA-N 321.381 -0.739 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCNC3(CCC3)C2)N1 1580843633 KXGCEHXJJAWVFC-ZJUUUORDSA-N 309.370 -0.730 50 20 DBGD CCCNC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 1590638107 FQCAJABKVMKLFS-UHFFFAOYSA-N 319.325 -0.014 50 20 DBGD COc1ccnc(NNC(=O)c2cccc(-c3nn[nH]n3)n2)n1 1591656345 CSAZPDPBEIXGDY-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)O)OCCc2sccc21 1594020178 OWBKEXKYCLJCRU-LBPRGKRZSA-N 313.335 -0.049 50 20 DBGD COC[C@@]1(C(=O)O)CCCCN1CC(=O)NNC(=O)C(C)C 1599188133 MAZNEFNRIRVUCG-CQSZACIVSA-N 315.370 -0.255 50 20 DBGD O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)[C@@H]1COCCO1 1601555939 MSJOXDACSKUONQ-AEJSXWLSSA-N 300.311 -0.560 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ccc(C(=O)O)c(F)c2)C1=O 1606189959 XIEOHCKCQDLEJR-UHFFFAOYSA-N 324.268 -0.139 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccccc2C(=O)O)N1 1606559346 KSXSGSJYLJGYBH-SNVBAGLBSA-N 320.305 -0.506 50 20 DBGD Cn1ccc2ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc21 1608129224 VTEMMYIMKGQWQH-UHFFFAOYSA-N 304.262 -0.651 50 20 DBGD O=C(NCCOc1ncccc1Cl)NNC(=O)C(=O)O 1608449503 UCABIFWPWKAUKM-UHFFFAOYSA-N 302.674 -0.471 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccccn2)CC1=O 45263669 HKTXPGSBEFKXLV-JTQLQIEISA-N 306.322 -0.663 50 20 DBGD O=C(NCCCNc1ccccn1)NNC(=O)C(=O)NC1CC1 46944897 UCTQZFRQUVMQOI-UHFFFAOYSA-N 320.353 -0.507 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)NC(N)=O 49984117 AOVMCGGELVNQGJ-QMMMGPOBSA-N 310.310 -0.722 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCOC2)c2ccccc2c1=O 66894127 VINBJUANUPPZMQ-SECBINFHSA-N 316.317 -0.269 50 20 DBGD CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NN(C)C(N)=O 278463048 SENZJCBPULMUBL-QMMMGPOBSA-N 304.347 -0.042 50 20 DBGD CCOC(=O)COCCNC(=O)NNc1nc2ccccn2n1 297577323 QVDAFLWTOJFMLK-UHFFFAOYSA-N 322.325 -0.065 50 20 DBGD COC(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 495599456 ACIRUVIEFQOEPQ-UHFFFAOYSA-N 323.277 -0.370 50 20 DBGD COCCOC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584951392 NIZTZMWDKHGXAD-UHFFFAOYSA-N 307.155 -0.366 50 20 DBGD CN1CC[C@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)C[C@H]21 584970432 CAPBWZRVPNUPQY-IINYFYTJSA-N 306.146 -0.328 50 20 DBGD CCCN1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1=O 584979850 IAMDWOZHFXDSMH-UHFFFAOYSA-N 322.145 -0.410 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](c2nnc(O)o2)C1 584986028 VPWIRTXWFSWQKK-JTQLQIEISA-N 317.110 -0.525 50 20 DBGD O=C(CCn1cncn1)NNC(=O)COc1ccccc1O 730780736 ULINQAREUDJEEY-UHFFFAOYSA-N 305.294 -0.400 50 20 DBGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)N(C)C)CC1 731620755 KBEGNVOIJOIUAO-UHFFFAOYSA-N 320.415 -0.213 50 20 DBGD Cc1c(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)nnn1C 743812977 IBTWDCUQQJJFLO-UHFFFAOYSA-N 320.265 -0.188 50 20 DBGD CC1CCN(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 761834648 CVRQXKVIJMXVCM-LLVKDONJSA-N 317.411 -0.700 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)c1 771875822 UXDZDFSTODIDMX-LBPRGKRZSA-N 321.333 -0.057 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCS(=O)(=O)C1CCCC1 787949192 KHQODQFDAODWIW-UHFFFAOYSA-N 306.384 -0.348 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CN(C)CCO1 790063653 PWLRJXNYUDWIOO-SNVBAGLBSA-N 303.359 -0.746 50 20 DBGD CC(C)n1ccc(CC(=O)NNC(=O)N2CCN(C)CC2)n1 807383084 JVIRYPMGLKYPOH-UHFFFAOYSA-N 308.386 -0.005 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cncn2C)c1 809729591 KWMUWMHFNMDABG-UHFFFAOYSA-N 302.294 -0.152 50 20 DBGD O=C(NNc1ncnc2ccsc12)[C@H]1CCS(=O)(=O)N1 845830453 LRGBWPBAWDBWJD-SSDOTTSWSA-N 313.364 -0.174 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCS(=O)(=O)C1 846093581 FDOHPUXUDINDMU-VIFPVBQESA-N 312.351 -0.519 50 20 DBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](C)O 857431534 LVVVWZCRARGDKE-MRVPVSSYSA-N 314.367 -0.570 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@@H](C)N1CCOCC1 858235780 RBFQSONGADAOOM-NXEZZACHSA-N 310.358 -0.537 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC(C)C 858545045 HRBAXNNJPLECTG-ZJUUUORDSA-N 300.359 -0.344 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC([C@@H]3CCCO3)CC2)N1 858698786 ARBILAASDYOMFW-NEPJUHHUSA-N 324.381 -0.103 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](NC=O)C(C)C 861576238 CAHFISSZKKEQSG-JTQLQIEISA-N 303.359 -0.306 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@@H]1CCNC1 861710476 LQBNHPIBJDJPAV-SNVBAGLBSA-N 302.338 -0.431 50 20 DBGD CNc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(Cl)n1 862454463 GLXPTBBALQJFPA-ZETCQYMHSA-N 311.729 -0.184 50 20 DBGD Cn1cnn(CC(=O)NNCC(F)(F)C(F)(F)F)c1=O 863097160 GHHANMLKSMCUGA-UHFFFAOYSA-N 303.191 -0.600 50 20 DBGD CC(=NNC(=O)CS(C)(=O)=O)c1cc(C(=O)O)ccc1O 863187534 OBOLSUPDSIILMY-UHFFFAOYSA-N 314.319 -0.025 50 20 DBGD NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCC(=O)N1 863379330 VFIKABFEEIVAQJ-QWRGUYRKSA-N 308.313 -0.879 50 20 DBGD CN1CCC(N2CC[C@H](NCc3ccc(B(O)O)cc3)C2)CC1 877027786 SBHWSZGUPJJMGV-INIZCTEOSA-N 317.242 -0.376 50 20 DBGD CCN1CCC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1=O 925989461 TZMSKPWDWBJJCX-LLVKDONJSA-N 312.370 -0.246 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC1(SC)CCOCC1 1116186969 JCYNZIPWVKATRT-UHFFFAOYSA-N 305.356 -0.598 50 20 DBGD CC(C)CC(=O)N1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1118864409 PELMVGVZAZCSLZ-UHFFFAOYSA-N 322.369 -0.046 50 20 DBGD Cn1c(NNC(=O)CS(C)(=O)=O)nc2ccccc2c1=O 1318560810 PTKPZBDFNSFUNL-UHFFFAOYSA-N 310.335 -0.579 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc2nn[nH]c2cc1F 1320685822 BKZLYTRPNNNRIZ-UHFFFAOYSA-N 308.273 -0.617 50 20 DBGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)CCO)c(F)c1 1321273778 NBFJSDKIDQJGLW-UHFFFAOYSA-N 311.244 -0.586 50 20 DBGD O=C(CCc1ccco1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1321949036 XYZJRUZAAHCMED-SECBINFHSA-N 315.351 -0.270 50 20 DBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)C(=O)NC1CC1 1322201864 ASJBPCZYVKVTBC-JTQLQIEISA-N 313.427 -0.755 50 20 DBGD O=C(/C=C\C1CCOCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1322752761 SYDCBMJHYWQKQY-BVBSBALXSA-N 316.379 -0.449 50 20 DBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326012715 HYWRVVNIFRDEHH-IUCAKERBSA-N 300.359 -0.486 50 20 DBGD C[S@@](=O)CCNC(=O)NNc1ccc(-n2ccnc2)nn1 1326509724 RGQFRTVCJUHGPY-OAQYLSRUSA-N 309.355 -0.333 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1329207170 FFTUMPONGLGTEW-ZCFIWIBFSA-N 304.353 -0.960 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@H]1CCc2nncn2C1 1330292270 RIBFVAXUCXRFJU-VIFPVBQESA-N 304.310 -0.036 50 20 DBGD COc1ccn2c(C(=O)NNC(=O)C(=O)NC3CC3)cnc2c1 1331524907 IKQSGSNDKPFGCK-UHFFFAOYSA-N 317.305 -0.618 50 20 DBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)[C@H]1COc2ccccc2O1 1340494761 NIBICNGESGYWNC-BXKDBHETSA-N 320.301 -0.073 50 20 DBGD O=C(C[C@H]1CCNC1)NNC(=O)[C@H]1COc2ccccc2O1 1580566518 YLFQBZXYHLHLJD-ZWNOBZJWSA-N 305.334 -0.027 50 20 DBGD Cc1nc(Cl)ccc1S(=O)(=O)NNC(=O)NCC(=O)O 1600706898 UQIYNRJYCDXNRM-UHFFFAOYSA-N 322.730 -0.379 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)N1 1602637806 HZBCULMVMKVCIW-AEJSXWLSSA-N 324.337 -0.952 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)c(C)c1 1603835221 UESOCLZXPUASMC-UHFFFAOYSA-N 323.305 -0.184 50 20 DBGD O=C(NCc1cccc(Cn2ccnc2)c1)NNC(=O)C(=O)O 1608469891 ACGNWGLDDDZGET-UHFFFAOYSA-N 317.305 -0.154 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1609700885 DVPCNFJDWFBFHR-ZETCQYMHSA-N 304.266 -0.856 50 20 DBGD NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1786795339 DHSHPAXKXAFVJE-FTYOSLGDSA-N 307.753 -0.541 50 20 DBGD COCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 42084547 CYNAQQZSSRULRH-UHFFFAOYSA-N 315.351 -0.656 50 20 DBGD O=C(NCCOc1ccc(F)cc1)NNC(=O)C(=O)NC1CC1 47008431 HPVAKBQCTXYBJL-UHFFFAOYSA-N 324.312 -0.187 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)NCc2ccco2)CC1=O 138916850 XAHODOBQTWYNGD-SNVBAGLBSA-N 324.337 -0.395 50 20 DBGD CNC(=O)CCCN(C)CC(=O)NNC(=O)c1ccccc1 154886036 MQPPTICNVZMFDB-UHFFFAOYSA-N 306.366 -0.094 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)Cc1nnc[nH]1 178014004 UTTXOLVYRRBNGC-UHFFFAOYSA-N 316.365 -0.065 50 20 DBGD CS(=O)(=O)N1CC(CNS(=O)(=O)CCCCCl)C1 187973889 VBQAHRHCCVYMBY-UHFFFAOYSA-N 318.848 -0.184 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)COCc1ccccc1 265609422 KILOVSUNCALSFJ-UHFFFAOYSA-N 314.363 -0.215 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C)[nH]n1 271057711 JOCFBJIHOAJEGR-UHFFFAOYSA-N 302.356 -0.308 50 20 DBGD C=CCC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCC1 276866831 XJNJJAWBHCIZRD-VIFPVBQESA-N 303.384 -0.182 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cncc(-n2ccnn2)c1 292088254 GKWGHSLKOKMBIS-NSHDSACASA-N 302.294 -0.398 50 20 DBGD O=C1C[C@H](C(F)(F)F)[C@H](C(=O)Nc2cccc(B(O)O)c2)N1 584914164 QSHSMIWWVQZPLC-WCBMZHEXSA-N 316.044 -0.628 50 20 DBGD O=C(NC1CCN(C2CC2)CC1)c1cc(B(O)O)ccc1F 584927968 HMWGWZAECNQXMI-UHFFFAOYSA-N 306.146 -0.138 50 20 DBGD O=C(N[C@H](C1CC1)[C@H](CO)C1CC1)c1ccc(B(O)O)cc1 584998578 RISJEKHLPNNUEB-HUUCEWRRSA-N 303.167 -0.107 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](n2ccnn2)C1 585001650 XGVQPIFBTRHUSX-CYBMUJFWSA-N 300.127 -0.565 50 20 DBGD O=C1CCCN1C[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 585008900 OATORMJWBWTSRI-GFCCVEGCSA-N 316.166 -0.549 50 20 DBGD CCS(=O)(=O)C[C@@H](C)NCc1ccc(B(O)O)cc1F 585023754 LTQFBLJBDMMDIB-SECBINFHSA-N 303.164 -0.582 50 20 DBGD CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(B(O)O)o1 585049711 UNEMHZWSHMGCRD-ZDUSSCGKSA-N 300.123 -0.124 50 20 DBGD C[C@@H]1Cc2cc(C(=O)NCB(O)O)ccc2N1S(C)(=O)=O 585057714 JSKKVSUCTRMXNL-MRVPVSSYSA-N 312.156 -0.861 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)o1 728434457 LUEQLRQSUKULFF-ZETCQYMHSA-N 317.323 -0.546 50 20 DBGD CC(=O)Nc1nc(C(=O)NNC(=O)c2cnn(C)c2)cs1 735470992 IYUVGESGFNIIBM-UHFFFAOYSA-N 308.323 -0.090 50 20 DBGD Cc1nn(C)c(Cl)c1C(=O)NNC(=O)C(=O)N1CCCC1 748246500 AZKSXTRYFFUIRX-UHFFFAOYSA-N 313.745 -0.235 50 20 DBGD O=C(NN=Cc1ccc(C(=O)O)[nH]1)N[C@H]1CCS(=O)(=O)C1 749815689 OZOOXTDMXKZSMZ-QMMMGPOBSA-N 314.323 -0.467 50 20 DBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)N1CCOCC1 767350004 BPEMHBNKFLFDBR-UHFFFAOYSA-N 307.372 -0.727 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1CCCCCC1=O 771853151 DFSCYUYWBRRFPP-JTQLQIEISA-N 313.354 -0.122 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](CC(N)=O)C2)n1 808299308 JUVUGJZOMRAZKC-JTQLQIEISA-N 305.338 -0.058 50 20 DBGD CN(C)c1nccc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 825888893 YLCAFPXUUGXMON-UHFFFAOYSA-N 314.313 -0.192 50 20 DBGD CCC[C@H](C(=O)NNc1nc(C)cc(OC)n1)S(N)(=O)=O 829487522 GUXPEPKHXQIPTB-MRVPVSSYSA-N 317.371 -0.306 50 20 DBGD O=C(NC[C@H](C(=O)O)C1CCC1)NNC(=O)C(=O)NC1CC1 854238076 OSKNUZOYRHKOPG-VIFPVBQESA-N 312.326 -0.904 50 20 DBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)N1CCN(C)CC1 854379378 ZLRLOABRTUUFCY-SNVBAGLBSA-N 314.390 -0.798 50 20 DBGD O=C(Cc1cnn2ccccc12)NNC(=O)[C@@H]1CCC(=O)N1 862461868 SBRGUZALBKZKJL-JTQLQIEISA-N 301.306 -0.697 50 20 DBGD COCCN(C)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cn1 863153331 RORNGYSFFVNZEB-LBPRGKRZSA-N 319.365 -0.107 50 20 DBGD C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)CS(C)(=O)=O)C1 863463548 MPDIVQONFMIQHL-VHSXEESVSA-N 306.384 -0.226 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1cc2c(N(C)C)ncnc2n1C 910156938 ZHJDRMIAFZOMNJ-SECBINFHSA-N 306.370 -0.008 50 20 DBGD C[C@@H](O)CN(C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 910172626 DMWCCJRUFSQKLU-GHMZBOCLSA-N 319.365 -0.331 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NN(CC)CCO)C1 911440478 TUFOMRXPLOVGBC-LBPRGKRZSA-N 301.387 -0.393 50 20 DBGD CN(C)CC(=O)NNC(=O)CCc1nc(-c2ncccn2)no1 1322805484 ICAPGZNGUPRPHM-UHFFFAOYSA-N 319.325 -0.832 50 20 DBGD O=C(NNC(=O)C1[C@@H]2CCC[C@@H]12)N[C@H]1CCS(=O)(=O)C1 1330998727 SPPIKJWTRIDOHG-DJLDLDEBSA-N 301.368 -0.450 50 20 DBGD Cc1nc2cc(NC(=O)C(=O)NNC(=O)CO)ccc2s1 1336382001 NIBXZJLYPMZSCB-UHFFFAOYSA-N 308.319 -0.317 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H](N)c2ccccc2)ccc1=O 1579953229 ORRWEZQSEQNCMI-CYBMUJFWSA-N 300.318 -0.154 50 20 DBGD O=C(CC1(N2CCOCC2)CCCC1)NNC(=O)[C@@H]1CCN1 1580498357 YOHFNRFCBSWGEL-LBPRGKRZSA-N 310.398 -0.469 50 20 DBGD O=C(NNC(=O)c1ncon1)Nc1sccc1-c1nn[nH]n1 1593159478 ORYWPAFAYYZQOE-UHFFFAOYSA-N 321.282 -0.222 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)c2cccc(B(O)O)c2)cc1 1602129090 NOKLBFMHOKZJED-UHFFFAOYSA-N 314.106 -0.250 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)n(C)n2)cn1 1608098867 VAHVNMAIAVIVGW-UHFFFAOYSA-N 307.270 -0.682 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1ccc(C(=O)O)cn1 1608330986 LVFADLPAZURHIG-UHFFFAOYSA-N 314.323 -0.742 50 20 DBGD CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843363137 RDVGWIJGYHVIQI-MRVPVSSYSA-N 305.737 -0.188 50 20 DBGD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)C(Cl)Cl)C1 1846387376 NQQBYAURTLJWND-UHFFFAOYSA-N 322.196 -0.523 50 20 DBGD CC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847489585 BLMXVXXGLCSQLT-MMWGEVLESA-N 304.774 -0.441 50 20 DBGD CNC(=O)NNC(=O)CNC(=O)c1ccc(OC)c(OC)c1 139308605 BGLWTLVUQUJOCF-UHFFFAOYSA-N 310.310 -0.606 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1 266075373 ZAEMEENNOJMALK-UHFFFAOYSA-N 300.340 -0.830 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 273121345 CNRATECTTLEHOK-SFYZADRCSA-N 314.342 -0.674 50 20 DBGD O=C(O)CC[C@@H](NS(=O)(=O)CBr)C(=O)O 308877538 SQPSENUNPLDMOK-SCSAIBSYSA-N 304.118 -0.424 50 20 DBGD CN(CCC(=O)NNC(=O)CO)C(=O)OCc1ccccc1 492744159 FIVCZQUCWBOSPG-UHFFFAOYSA-N 309.322 -0.215 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cnc[nH]1 494724075 ANRMNYNVLUPROR-UHFFFAOYSA-N 319.343 -0.756 50 20 DBGD COc1ccc(NC(=O)NNC(=O)CO)cc1N1CCOC1=O 495270020 JJFIMUFAMIVMFX-UHFFFAOYSA-N 324.293 -0.203 50 20 DBGD O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584930433 JXBIJTQFMMDJCA-CYBMUJFWSA-N 302.139 -0.750 50 20 DBGD Cc1c(CCNC(=O)c2cc(B(O)O)ccc2F)cnn1C 584961131 ZEPHIBSAWWUUDL-UHFFFAOYSA-N 305.118 -0.480 50 20 DBGD O=C(NC1CC1)[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585023120 GOMDLRPGVGMPLM-ZYHUDNBSSA-N 306.171 -0.114 50 20 DBGD O=C1C[C@H](NCc2cccc(B(O)O)c2)CN1CC(F)(F)F 585024706 BBOWCHLCVGPUPL-NSHDSACASA-N 316.088 -0.381 50 20 DBGD CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NCB(O)O 585056547 XMFVZPPPXFAPGF-UHFFFAOYSA-N 322.151 -0.047 50 20 DBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)NC)CC1=O 733138640 HSCXLEJWKRJYAV-GHMZBOCLSA-N 311.386 -0.721 50 20 DBGD O=C(NCCCc1ccc(O)cc1)NNC(=O)C(=O)NC1CC1 735760766 CWWPIBMQBWNRPY-UHFFFAOYSA-N 320.349 -0.066 50 20 DBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)CC(C)C)cn1 743250568 GHTXUFFJPUOTRC-UHFFFAOYSA-N 318.355 -0.588 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCN(C(N)=O)CC1 772723593 QLFYHEXZHVBYHO-LLVKDONJSA-N 313.402 -0.345 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](CO)C2)cc1 772775982 FURURMYNUVOGDA-LBPRGKRZSA-N 302.334 -0.367 50 20 DBGD CNC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)c1cccs1 777560146 QAQLXGGULSEFDE-VIFPVBQESA-N 310.379 -0.281 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNc1cccc(C#N)c1 821141506 QLJZXZBTCBMJDN-NEPJUHHUSA-N 324.362 -0.004 50 20 DBGD CCN(CCO)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 823852770 PAQWWHAPUQMTCH-LLVKDONJSA-N 307.416 -0.607 50 20 DBGD COCCn1cc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1=O 843648183 WITMAEPUNYTBPN-CMPLNLGQSA-N 323.349 -0.319 50 20 DBGD COc1cc(F)cc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 845858150 GHQNVTHJIXOTEN-JTQLQIEISA-N 303.315 -0.031 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 847281246 XRSNIJOJXGFVLM-UWVGGRQHSA-N 306.278 -0.133 50 20 DBGD CC(C)(C)C(=O)N1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 858704483 SGYUWWPIVKKIPV-UHFFFAOYSA-N 322.369 -0.046 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2nnc(C3CC3)s2)N1 860267214 LYNZUGXFXXRVTF-ZCFIWIBFSA-N 310.339 -0.153 50 20 DBGD COc1ccc2c(c1)C(=NNC(=O)[C@@H]1CCC(=O)N1)C(=O)N2C 863151266 JUFNMECRPZQYLK-JTQLQIEISA-N 316.317 -0.230 50 20 DBGD CCn1c(C)cc(C(=O)NNC(=O)CS(C)(=O)=O)c1C 863458681 DEJOAKCJJZXDFM-UHFFFAOYSA-N 301.368 -0.070 50 20 DBGD CC(C)Cn1cc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 863465142 UZRSGLPHSKPDBX-UHFFFAOYSA-N 302.356 -0.655 50 20 DBGD N#C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCN1C1CC1 863889902 HCPPCBNYHUSPIZ-LBPRGKRZSA-N 317.129 -0.682 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 915916694 LBVHJDXOSBTUHL-UHFFFAOYSA-N 322.321 -0.462 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccccc1NC(C)=O 1116181963 NGTMKKIIYXPMEP-UHFFFAOYSA-N 308.294 -0.352 50 20 DBGD COc1ccc(S(=O)(=O)NNC(C)=O)cc1C(=O)N(C)C 1255165267 PCACRBWIPRADTE-UHFFFAOYSA-N 315.351 -0.274 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nc2ncc(C)cn2n1 1261600183 VUOXJGXDMLVFKO-QMMMGPOBSA-N 320.309 -0.465 50 20 DBGD COc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261825852 UKOYUESQBRSMRW-VIFPVBQESA-N 320.305 -0.940 50 20 DBGD O=C(NNC(=O)[C@@H]1CCSC1)N[C@H]1CCS(=O)(=O)C1 1319157414 ONZSNTIYRRFIKI-SFYZADRCSA-N 307.397 -0.743 50 20 DBGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)CC(C)C 1320520524 QGEDADOHKSJLBN-UHFFFAOYSA-N 308.338 -0.174 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ncnc2ccsc12 1326030979 KPSJHNVFOFAXAO-UHFFFAOYSA-N 322.350 -0.661 50 20 DBGD CN(C)CC[C@@H](N)C(=O)NNc1nc2ccccc2c(=O)n1C 1326626202 IMEJDOFGEDEQCJ-LLVKDONJSA-N 318.381 -0.344 50 20 DBGD Cc1csc2ncc(C(=O)N3CC[C@H](B(O)O)C3)c(=O)n12 1329213952 CDBVGSWNLLHUPG-QMMMGPOBSA-N 307.140 -0.247 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1(=O)=O)OCC(F)(F)F 1330967183 ZHDDTSMQHQYGNA-YFKPBYRVSA-N 304.246 -0.117 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCCCN1 1579052389 JMWQQJDQQYJNDQ-NEPJUHHUSA-N 316.402 -0.100 50 20 DBGD O=C(CC1CCNCC1)NNC(=O)[C@H]1CCN1C1CCOCC1 1580510805 HOCGSHKNXYLZOS-CQSZACIVSA-N 324.425 -0.223 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NC[C@@H]1CCN1 1580576096 DWPZMIJVOWSMQH-JTQLQIEISA-N 302.338 -0.431 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNc1ncc(F)cn1 1592914137 PKRCWTIXCGXLFL-UHFFFAOYSA-N 315.272 -0.123 50 20 DBGD O=C(Cc1cnc[nH]1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1592928679 UPXUHVIFUFYFEP-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=S)NCCc1cccs1 1593912170 YXRKMMFJMBCQHU-MRVPVSSYSA-N 317.392 -0.115 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccccc2C(=O)O)nn1 1594530335 MZSRCBLBAHJZEJ-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD C[C@H](O)C[C@@H](CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1604383689 OKULSTBUWLIFHJ-ONGXEEELSA-N 309.322 -0.044 50 20 DBGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN)C2 1802274460 ZCILMTAYLVYFFM-LMLFDSFASA-N 303.790 -0.163 50 20 DBGD CC(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558570 NYPAVRPAJWSXCK-NNYUYHANSA-N 318.801 -0.195 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCSCC1 264132490 MYAKJVXBQFCZKE-UHFFFAOYSA-N 312.351 -0.201 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 264567452 ZTVWAENDJLKCET-HNNXBMFYSA-N 305.334 -0.026 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CC(=O)N(C)C2)n1 267502373 NHIGIGWQXGAIFM-JTQLQIEISA-N 308.342 -0.939 50 20 DBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CNC(N)=O 494418628 PTBDGPRBXRVYSP-UHFFFAOYSA-N 317.346 -0.893 50 20 DBGD CCc1nc(CCNC(=O)c2ccc(B(O)O)c(F)c2)no1 584942833 XYUQSTLZPOKXEC-UHFFFAOYSA-N 307.090 -0.577 50 20 DBGD CS[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1N(C)C 584968619 ZLKLYVDKVSTLBP-OLZOCXBDSA-N 308.212 -0.516 50 20 DBGD CN(CCN1CCOC(C)(C)C1)C(=O)c1ccc(B(O)O)cc1 584983074 LZOMPHURBBURTK-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD Cc1cccc(OC[C@H](O)CNCc2ccc(B(O)O)o2)c1 585018904 WHOVVXKFNIEAIY-GFCCVEGCSA-N 305.139 -0.203 50 20 DBGD COCCN1CCC(NCc2ccc(B(O)O)cc2F)CC1 585019163 DSWLLBXBCDBXDU-UHFFFAOYSA-N 310.178 -0.294 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CN3CCCC[C@H]3CO2)c(F)c1 585035649 WKBOPMGUJHPMNF-GJZGRUSLSA-N 322.189 -0.152 50 20 DBGD CNC(=O)C1(c2nc(-c3ccc(B(O)O)cc3)no2)CCC1 585051127 UXELWPQKEMBBFC-UHFFFAOYSA-N 301.111 -0.416 50 20 DBGD O=C1CC[C@](C(=O)N2CC[C@@H](B(O)O)C2)(c2ccccc2)CN1 585063798 HHFSCHQFWFJBRI-CZUORRHYSA-N 316.166 -0.090 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)CC(F)(F)F 727276781 IWBULHNLPAOFID-UHFFFAOYSA-N 300.306 -0.041 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NNC(=O)C1CCC1 732245142 RDDLEHBEKYAART-UHFFFAOYSA-N 323.309 -0.829 50 20 DBGD CCC(CC)NC(=O)C(=O)NN=C1CCCS(=O)(=O)C1 740763187 BEFZQRMYWARZJX-UHFFFAOYSA-N 303.384 -0.028 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)N=c2nc[nH]n2C)c1 757761101 LPIZXPUJYTYPGF-UHFFFAOYSA-N 304.310 -0.223 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)ccc1C 780710566 TXYIGTCJZVJOSD-UHFFFAOYSA-N 314.367 -0.051 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 801015571 FHQXGBHSLWKKAE-UHFFFAOYSA-N 306.388 -0.557 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1cccc(F)c1)C(N)=O 810828864 OQHKGKDJGOMKLQ-UHFFFAOYSA-N 304.303 -0.854 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCC1 813419755 BDYLCPOVTDQQGI-SKDRFNHKSA-N 319.383 -0.945 50 20 DBGD CC1(C)CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](CO)O1 817279093 HWYCJWWHNIGYBL-SNVBAGLBSA-N 301.387 -0.348 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843658462 KXIBFYHWSRTYJX-USWWRNFRSA-N 309.366 -0.040 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1c[nH]c(C(N)=O)c1 854280521 VJRXGFQJGJDTPG-UHFFFAOYSA-N 313.383 -0.399 50 20 DBGD O=C(NNc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCS(=O)(=O)N1 855623491 GJSPZGIXXNOUFK-VIFPVBQESA-N 318.286 -0.131 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 857109171 KPUCCGZQSDKYKP-MGCOHNPYSA-N 314.386 -0.001 50 20 DBGD C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 857855533 ZXSDQYNOQDGVDV-KOLCDFICSA-N 319.365 -0.155 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)N1 862457420 IZAOIRQWNKWHMJ-VIFPVBQESA-N 308.250 -0.660 50 20 DBGD CSc1ccc(O)c(C(=O)NNC(=O)CS(C)(=O)=O)c1 863466846 DASINMDGKKPQJU-UHFFFAOYSA-N 318.376 -0.080 50 20 DBGD CO[C@H](CNC(=O)c1cc(B(O)O)ccc1F)C(F)(F)F 865851135 JYSICUQOOCWGOG-SECBINFHSA-N 309.024 -0.187 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1n[nH]c(O)n1 918279032 LNDYNDMBMMHFNI-ZCFIWIBFSA-N 309.257 -0.122 50 20 DBGD O=C(CCOCC(F)(F)F)NNC(=O)CN1CCCC1=O 920436116 VRKXRVBPMIDQRG-UHFFFAOYSA-N 311.260 -0.275 50 20 DBGD COC(=O)N1CCCN(CC(=O)NNC(=O)C(C)(C)C)CC1 1116326421 VFTVXADCTQDDLL-UHFFFAOYSA-N 314.386 -0.046 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CC2(Cl)Cl)N1 1261787400 OGIUZBYPQNTUFZ-NTSWFWBYSA-N 309.153 -0.211 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 1318168162 ZACWGZRMJRKCSA-UHFFFAOYSA-N 319.325 -0.357 50 20 DBGD O=C(NNC(=O)c1cccc(-n2cccn2)n1)C(=O)NC1CC1 1318661859 QGLSTLPPFWRWBO-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cnc[nH]1 1319037327 BOQZESUOKKXCGG-UHFFFAOYSA-N 303.344 -0.976 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCc3c[nH]nc3C2)cn1 1323813838 MZYDVOSSJGDYKA-JTQLQIEISA-N 303.326 -0.355 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)s1 1324406703 AQQNEDWLMQQVHK-UHFFFAOYSA-N 306.369 -0.714 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 1325423575 QIWBWEQSIWHPRV-UHFFFAOYSA-N 304.310 -0.513 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(C(N)=O)o1 1329237380 WEVBSRQABDZSNO-IONNQARKSA-N 310.310 -0.366 50 20 DBGD CN(C)N(C(=O)Cc1cncn1C)[C@@H]1CCS(=O)(=O)C1 1330176748 OZWCMNAOTJMRLD-SNVBAGLBSA-N 300.384 -0.545 50 20 DBGD O=C(CCn1cnccc1=O)NNC(=O)Cc1ccncc1 1330380085 PJMFIKSNJVRMLV-UHFFFAOYSA-N 301.306 -0.582 50 20 DBGD Cc1[nH]ccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1331106385 NSDMTELHJQFIIZ-MRVPVSSYSA-N 300.340 -0.546 50 20 DBGD COCCOC[C@@H](C)NC(=O)NNC(=O)C1CCOCC1 1333596272 SRSHDRNIZDVGJS-SNVBAGLBSA-N 303.359 -0.205 50 20 DBGD O=C(CCOC1CCOCC1)NNC(=O)CN1CCCC1=O 1335091176 YBFLDKZJPXNNTF-UHFFFAOYSA-N 313.354 -0.658 50 20 DBGD C[C@@H](NCc1ccccc1B(O)O)C(=O)NCC(F)(F)F 1336732769 STAWNITXYOVDFA-MRVPVSSYSA-N 304.077 -0.477 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1n[nH]c2c1CCCC2 1345703936 GCJJKWSFGCMYHV-UHFFFAOYSA-N 319.321 -0.802 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CCN[C@H]([C@@H]2CCCO2)C1 1580736461 TYQFALCJGBMDQH-MROQNXINSA-N 311.382 -0.140 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@@]2(C(=O)O)CCOC2)c1 1605320226 GTUYBQWCOOJFPQ-HNNXBMFYSA-N 321.333 -0.411 50 20 DBGD O=C(O)c1ccc(NNC(=O)[C@@H]2CCc3nnc(O)n3C2)nc1 1608904338 QRMSONRTAYQPOD-MRVPVSSYSA-N 318.293 -0.217 50 20 DBGD C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843365305 JHURJJQFXPXFND-RKDXNWHRSA-N 305.737 -0.141 50 20 DBGD Nc1nccnc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 21316369 SIGCUMXHJYDSMM-UHFFFAOYSA-N 301.262 -0.138 50 20 DBGD O=C(Cc1cccs1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 54375046 MBFMXZFKUQFLAZ-MRVPVSSYSA-N 317.392 -0.192 50 20 DBGD CCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)[C@H](C)CC 55617322 HQHIZSXRSFIOQN-SSDOTTSWSA-N 318.355 -0.058 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H](C#N)C2)cc1 72963669 RGHIJYWZTBWWGG-CYBMUJFWSA-N 302.334 -0.020 50 20 DBGD CN(CC(=O)NNC(=O)C(=O)NC1CC1)C(=O)OC(C)(C)C 264096640 TYQHSDPYGNEROB-UHFFFAOYSA-N 314.342 -0.721 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nc1 273478155 KPYHHPSGNNNGRO-QMMMGPOBSA-N 315.355 -0.520 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)OC(C)(C)C 495084287 FGZDYLIAIQDIGI-CBAPKCEASA-N 301.343 -0.182 50 20 DBGD NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584940124 PHYGNZFCVOTBPV-JTQLQIEISA-N 322.145 -0.377 50 20 DBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)CC[S@@]1=O 584983364 QKCUVDOCGJIXJA-BTKVJGODSA-N 313.159 -0.511 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN([C@H]2CCOC2)CC1 585007125 KAHLOQIPNVMDJC-LBPRGKRZSA-N 322.145 -0.948 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)C2CCC2)CC1 732143026 OWOCJEWVIGQSQD-UHFFFAOYSA-N 317.411 -0.004 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 735516770 ZXRDASVORPSIBD-UHFFFAOYSA-N 313.273 -0.323 50 20 DBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNc1cccnn1 736386433 HYIKYGOWDUVHMQ-UHFFFAOYSA-N 316.387 -0.179 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)C[C@H]2SC(=N)NC2=O)c1 742638390 DBFHDLBCTHJLCS-SECBINFHSA-N 317.330 -0.124 50 20 DBGD C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)NNC(=O)C(C)(C)C 744407765 RDLHCFZAKVERIW-UWVGGRQHSA-N 319.427 -0.313 50 20 DBGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748246904 ZWROEXZDEHTJDN-VIFPVBQESA-N 321.381 -0.090 50 20 DBGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)CO)c1 756228557 NGZDMHVPTQVNOT-QMMMGPOBSA-N 310.310 -0.195 50 20 DBGD COC(=O)CCC(C)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 756880711 BAXBJJZHRTVISN-VIFPVBQESA-N 305.356 -0.198 50 20 DBGD O=C(N=c1cc[nH]cc1F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 760002631 SYBLCNKUEPAGIB-SSDOTTSWSA-N 316.314 -0.770 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(N(C)C)n1 764204361 SSDKDYGQRKHPCY-UHFFFAOYSA-N 322.369 -0.896 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(C(C)=O)C1 771964072 SEWDNRSNJANLCW-MWLCHTKSSA-N 313.354 -0.266 50 20 DBGD COCc1nn(CC(=O)NNC(=O)c2cccc(C)c2)c(=O)o1 776852058 LAJAZMQOKKAPKC-UHFFFAOYSA-N 320.305 -0.248 50 20 DBGD C=CCNC(=O)CNC(=O)NNC(=O)c1ccccc1OC 776912155 HPGLSUKPCHLEPW-UHFFFAOYSA-N 306.322 -0.059 50 20 DBGD CN(NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(N)=O 778411447 FKANJCOZUHDMSL-CYBMUJFWSA-N 305.294 -0.604 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cccn(C)c1=O 779354833 SCMKQOVLNVTOGO-SECBINFHSA-N 312.326 -0.411 50 20 DBGD O=C(NNc1cnccn1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779843572 HHGIRGWCPIWNHH-VXGBXAGGSA-N 314.305 -0.110 50 20 DBGD COCC(=O)NNC(=O)Nc1ccn(C2CCN(C)CC2)n1 786702648 JQKNVQUKFMSZLV-UHFFFAOYSA-N 310.358 -0.051 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CC1)[C@H](C)C(=O)NNC(=O)C1CC1 790112543 YQBZTBADYBIUBJ-YUMQZZPRSA-N 310.354 -0.627 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccnc(F)c1 794904106 CVANHMCKHFDIBN-QMMMGPOBSA-N 302.331 -0.001 50 20 DBGD CCOC(=O)C[C@H](NC(=O)NNC(=O)CO)C(F)(F)F 824762990 YZIMYFDMNKGFEU-YFKPBYRVSA-N 301.221 -0.807 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(C#N)c1 826090007 UNLALHDGMPMAPF-SECBINFHSA-N 324.362 -0.353 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 843782961 BYMSDZFELMSQIC-MRVPVSSYSA-N 309.347 -0.006 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ncc[nH]2)CC1 846877476 LKBFOACXAFCOAR-UHFFFAOYSA-N 308.386 -0.275 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCc2nc(O)cc(CN)n2)n1 851680468 IQTNHAYFQMXAMS-UHFFFAOYSA-N 318.341 -0.126 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CC1 855626546 IIAZUCOYFAXSNT-UHFFFAOYSA-N 318.286 -0.002 50 20 DBGD CC(C)C(=O)NNC(=O)c1ccc(NS(C)(=O)=O)nc1 858143239 IEANKJWYTDLLNR-UHFFFAOYSA-N 300.340 -0.130 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCc3ccc(O)cc3C2)N1 858695427 XDYZSGOZMRZVOD-GFCCVEGCSA-N 318.333 -0.230 50 20 DBGD CN1CC[C@@]2(CCN(C(=O)NNC(=O)[C@H]3CCC(=O)N3)C2)C1 858700058 DESYULKIFFJCDG-QMTHXVAHSA-N 309.370 -0.967 50 20 DBGD CCC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 861805474 YXWDIUUZTZDEEA-UHFFFAOYSA-N 320.349 -0.073 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCC1 862449699 JGRLUEZVRWOVOR-JQWIXIFHSA-N 310.354 -0.893 50 20 DBGD CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)[C@H]2CCC(=O)N2)C1 863152691 DGPLCGHOXNVNJB-NXEZZACHSA-N 301.368 -0.276 50 20 DBGD COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(B(O)O)ccc1F 863878977 LMBBHQSHUNXVSQ-ZANVPECISA-N 323.129 -0.081 50 20 DBGD O=C1CN(CC(=O)NNc2cc(F)c(F)c(F)c2)CCN1 901169487 ZMAFKUOLJMHGJX-UHFFFAOYSA-N 302.256 -0.021 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NN(C)C[C@H](C)O)cc1 910178984 TUIZWJDEJPJJKF-JTQLQIEISA-N 315.395 -0.058 50 20 DBGD CN(C)CC(=O)NNC(=O)NC1(C(F)(F)F)CCOCC1 932296766 PGMQQKKVHZPMSX-UHFFFAOYSA-N 312.292 -0.010 50 20 DBGD NC(=O)c1ccc(NNC(=O)CCn2ccccc2=O)nn1 1319244959 SSPCRLUABJPSLM-UHFFFAOYSA-N 302.294 -0.729 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 1319468988 LEYBHQQRVWZYOY-SECBINFHSA-N 300.336 -0.287 50 20 DBGD COCCCOCC(=O)NNC(=O)C(=O)Nc1ccccn1 1319826249 IQTRIQHSTUIJLX-UHFFFAOYSA-N 310.310 -0.779 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 1319879809 OGUNZAJKVNGXJZ-MRVPVSSYSA-N 324.472 -0.146 50 20 DBGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)NN(C)C(N)=O 1320708896 UOBDRTCBPRCAAV-UHFFFAOYSA-N 320.353 -0.147 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)NOCCC(F)(F)F 1320786766 OZBADUHEYSHRIN-UHFFFAOYSA-N 312.248 -0.177 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccc1C(N)=O 1325519961 SHGHJLWQBJXQSL-UHFFFAOYSA-N 318.333 -0.020 50 20 DBGD COCCOCCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1329237322 UDAACRKUXKAAEP-WDEREUQCSA-N 303.359 -0.205 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnnn1C 1343881198 CJNIOSDOGWVEEA-QMMMGPOBSA-N 300.344 -0.975 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1ccc(OC)cc1 1346128263 QQYTYNFUFWJUDV-UHFFFAOYSA-N 317.367 -0.247 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1F 1591012399 QXDVSHWTMNEUAA-UHFFFAOYSA-N 307.289 -0.672 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](OC)C(=O)O 1594146080 OOMSBLKVBGKUDR-NSHDSACASA-N 312.278 -0.679 50 20 DBGD CC(=O)NNC(=O)/C(C#N)=C\c1cc(-c2nn[nH]n2)n(C)c1C 1602948557 FSGBHAFSMBTDFN-WMZJFQQLSA-N 314.309 -0.412 50 20 DBGD CC[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1604483989 NOBDJNFDJDDVRY-JTQLQIEISA-N 319.325 -0.418 50 20 DBGD COCCCNC(=O)NNC(=O)c1nc2nccc(C)n2n1 139609876 YMOTXHOXIMIOJK-UHFFFAOYSA-N 307.314 -0.587 50 20 DBGD COC(=O)NCCCC(=O)NNC(=S)NCCSC 271471407 UUHNWIJPBSIGJA-UHFFFAOYSA-N 308.429 -0.019 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc2ccccc2c(=O)n1C 287683790 LUSZAJSNEXMJQB-UHFFFAOYSA-N 302.334 -0.139 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cn(C)nn2)C[C@@H](C)O1 289436958 WEDVUICMFHUWRX-AOOOYVTPSA-N 310.358 -0.925 50 20 DBGD CCNC(=O)NNC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 497110032 SQSASJIJVDTVLQ-UHFFFAOYSA-N 302.331 -0.682 50 20 DBGD CC(=O)NC1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584939611 WGLNNSZKOQYCHU-UHFFFAOYSA-N 304.155 -0.457 50 20 DBGD CN1CC[C@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)c(F)c1 584990692 HRNSSKJUCLSTEQ-VXGBXAGGSA-N 306.146 -0.186 50 20 DBGD O=C(NCB(O)O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 585055612 CDBRLLVSZFQMLA-UHFFFAOYSA-N 315.138 -0.135 50 20 DBGD Cn1nc2c(c1S(=O)(=O)N1CC[C@H](B(O)O)C1)CCCC2 585056852 CPYBHYYULRJGOO-VIFPVBQESA-N 313.188 -0.464 50 20 DBGD O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[C@H](B(O)O)C1 585073283 BMGGURGJHIYILN-QJPTWQEYSA-N 322.170 -0.373 50 20 DBGD NC(=O)CNC(=S)NNC(=O)CCN1CCCCCC1 727066640 MPZHUCVITXKYNR-UHFFFAOYSA-N 301.416 -0.767 50 20 DBGD NC(=O)CNC(=S)NNC(=O)Nc1cc(F)cc(F)c1 727082144 FVVFRAMUHCNZSG-UHFFFAOYSA-N 303.294 -0.049 50 20 DBGD Cc1nn(C)c(Cl)c1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 728435025 TVMBCJRMLAIXMB-SSDOTTSWSA-N 321.790 -0.230 50 20 DBGD O=C(CCc1ccccc1O)NNC(=O)CNC(=O)C1CC1 730033743 QIWFECKQSODHCG-UHFFFAOYSA-N 305.334 -0.002 50 20 DBGD CCc1cc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n[nH]1 739018827 DZZZGXDMCOQBHV-LBPRGKRZSA-N 315.399 -0.147 50 20 DBGD CC(=O)NN=C1NC(=O)[C@H](CC(=O)NCCCN(C)C)S1 743277775 UXAQLCUZJRADNM-VIFPVBQESA-N 315.399 -0.917 50 20 DBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)c2ccc[nH]2)n1 756311344 NPVSVFFVASHCHD-UHFFFAOYSA-N 319.325 -0.234 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1Cl)[C@@H]1CCNC1=O 759439194 XBYRGRLDGBGIIZ-LLVKDONJSA-N 324.768 -0.079 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cn1C 761072464 UANVDHZAOSKXHY-UHFFFAOYSA-N 324.337 -0.056 50 20 DBGD O=C(Cn1cc(CO)nn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 761786352 ODGBMVNTLJOODF-UHFFFAOYSA-N 320.265 -0.860 50 20 DBGD CCc1cccc2c1N(C(=O)C(=O)NNC(=O)COC)CC2 764299807 NWVLVMACGJMZPJ-UHFFFAOYSA-N 305.334 -0.068 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(C)C)nc1 764303911 STNCXNXVMJSLRY-UHFFFAOYSA-N 324.337 -0.151 50 20 DBGD O=C(O)CCC(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 767075567 MCWVOUPMRFYHLS-UHFFFAOYSA-N 318.293 -0.648 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](NC(C)=O)C(C)C 771860490 IQQFLHBEAOIAAV-LDYMZIIASA-N 301.343 -0.364 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 771866824 FKOHGIWQCDNMOI-LBPRGKRZSA-N 316.317 -0.437 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNC(=O)C1CCCC1 780878799 OVHGLNVLVYEFEK-UHFFFAOYSA-N 308.342 -0.340 50 20 DBGD Cc1nc(Cn2cc(C(=O)NNC(=O)CC(C)C)nn2)no1 784809259 BJEPUJGSQBSDBI-UHFFFAOYSA-N 307.314 -0.175 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 786739859 JWYNHWRAUYKZRQ-KOLCDFICSA-N 315.395 -0.805 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)N2CCO[C@H](C(=O)O)C2)c1 819106395 NYKRXKLAGSQCNS-NSHDSACASA-N 318.289 -0.302 50 20 DBGD CC(C)[C@@H](NC(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 824134850 AWEJXTVUNFKWGD-SECBINFHSA-N 323.309 -0.540 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(=O)NCCF 827275488 VEEQUVPMJWKFBC-DJLDLDEBSA-N 304.322 -0.784 50 20 DBGD C[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1 839533837 YWZVAKONJQIKNO-GXFFZTMASA-N 302.334 -0.226 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 843978912 ZDHDLMPWXUCDAP-JOYOIKCWSA-N 321.333 -0.263 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC(N2CCOC2=O)CC1 852720659 OQKQFLAWAOGCNT-UHFFFAOYSA-N 312.370 -0.294 50 20 DBGD N#CSCCCNC(=O)c1nc(N)nc(N2CCOCC2)n1 854360678 WKLCQBSXZZVRDY-UHFFFAOYSA-N 323.382 -0.375 50 20 DBGD COc1ncnc(N(C)C)c1NC(=O)NNC(=O)c1cn[nH]c1 860789082 ZHRQEHHVGRFAFT-UHFFFAOYSA-N 320.313 -0.259 50 20 DBGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862449495 HAOHIKOXVUCYOH-SECBINFHSA-N 322.277 -0.357 50 20 DBGD CCSc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccn1 863460400 VOGSQRMDKJFPNZ-UHFFFAOYSA-N 317.392 -0.001 50 20 DBGD CC[C@H](C)n1nc(C(=O)NNC(=O)CS(C)(=O)=O)cc1C 863464355 LPWUPUSLRTXKCF-QMMMGPOBSA-N 316.383 -0.032 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@@H]1C1OCCO1 863871983 IQQPLDMZNAWRRJ-CYBMUJFWSA-N 305.139 -0.266 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CCNS(=O)(=O)c1cccs1 910182641 YIIHHMQUPLCWMT-SECBINFHSA-N 321.424 -0.240 50 20 DBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)C1CC1 920405269 RFPMXEWKAWNUQC-UHFFFAOYSA-N 301.324 -0.285 50 20 DBGD COC(=O)[C@H]1C[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 1262675464 OAYLMGHIHHYQFQ-OUAUKWLOSA-N 318.395 -0.322 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(CCNC(C)=O)cc1 1317964087 NRXSCOZNXXUIRF-UHFFFAOYSA-N 314.367 -0.513 50 20 DBGD O=C(NNC(=O)c1ccc2nc[nH]c2n1)C(=O)N1CCCC1 1320131005 OVYTVGQSXFOPAQ-UHFFFAOYSA-N 302.294 -0.659 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(OC(F)F)cn1 1322140129 JEVOFQZBSUWZCJ-UHFFFAOYSA-N 318.236 -0.314 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O 1325966226 XCOUQAFSJARAPF-VGMNWLOBSA-N 307.372 -0.825 50 20 DBGD CCn1nc(C)c(S(=O)(=O)NNC(=O)c2cc[nH]n2)c1C 1327016286 DXDYAKHGKFFNJT-UHFFFAOYSA-N 312.355 -0.134 50 20 DBGD O=C(NCCN1C(=O)CCC1=O)NNC(=O)c1cccc(F)n1 1327651437 CXFJRXBXTSLPPE-UHFFFAOYSA-N 323.284 -0.686 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnc(-c2ncc[nH]2)c1 1329658269 CFUGAMRFAOGTBR-UHFFFAOYSA-N 316.321 -0.243 50 20 DBGD O=C(CN1CCC2(CC1)C[C@@H](O)CCO2)NNC(=O)C1CC1 1333814212 GEFOXFJCCJYFGY-LBPRGKRZSA-N 311.382 -0.450 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)[C@@H]2CCCNC2)n1 1578418814 JCTHMXDYBHUGEQ-LLVKDONJSA-N 308.386 -0.795 50 20 DBGD CNc1cnc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cn1 1591224268 VAIQBVFXOWJQOH-UHFFFAOYSA-N 312.297 -0.150 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNc1ncncc1F 1592915365 KBDWSQDAGVMAQM-UHFFFAOYSA-N 315.272 -0.123 50 20 DBGD O=C(NNC(=O)c1cscc1-c1nn[nH]n1)c1cc[nH]n1 1593159456 NLURMOWBBWZPRC-UHFFFAOYSA-N 304.295 -0.274 50 20 DBGD O=C(O)Cc1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 1602136784 UQABIRXBZLGMSM-UHFFFAOYSA-N 305.290 -0.190 50 20 DBGD O=C(NNC(=O)c1sccc1-c1nn[nH]n1)c1cccnn1 1606854473 SGNALDFGRWHQPF-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD Cn1cc(C(=O)O)c(NC(=O)c2cc(B(O)O)ccc2F)n1 1608100175 LTLSSMLLRZVDHF-UHFFFAOYSA-N 307.046 -0.811 50 20 DBGD O=C(CCc1ocnc1C(=O)O)NNC(=O)N=c1cc[nH]cc1 1608321954 KIVRLDAKSORAIY-UHFFFAOYSA-N 319.277 -0.025 50 20 DBGD O=C(NNc1ncc(F)cn1)c1cc(-c2nn[nH]n2)ccn1 1609559680 ZIQAODHENCMZNM-UHFFFAOYSA-N 301.245 -0.052 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CN(C)CCO1 81234069 AOHJZNZQTPTXAR-LLVKDONJSA-N 317.349 -0.266 50 20 DBGD CN(C)CC(=O)NNC(=O)C1CCN(CC(F)(F)F)CC1 113423748 AUIBZPXYYKZYIX-UHFFFAOYSA-N 310.320 -0.030 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1ccc(F)c(F)c1 113426906 GHDHHRHKWSGVGC-UHFFFAOYSA-N 314.292 -0.596 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 264100989 HQGSJNDDRZFIDP-RXMQYKEDSA-N 306.369 -0.850 50 20 DBGD Cc1nc2ccccc2c(=O)n1CC(=O)NNC(=O)CN(C)C 265036263 HBGTZGYMEQBDEY-UHFFFAOYSA-N 317.349 -0.586 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 265050442 JYNCNSKEQHGZKZ-UHFFFAOYSA-N 304.306 -0.765 50 20 DBGD Cc1cc(C(=O)NNC(=O)CC2(CS(C)(=O)=O)CC2)[nH]n1 268803971 FERKFZVREMBISQ-UHFFFAOYSA-N 314.367 -0.306 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H](O)c1cccnc1 271411205 LVYRVNRDPYXHRK-SECBINFHSA-N 300.409 -0.027 50 20 DBGD C[C@@H](CC(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 283128274 ZKPGLAZBWWWCDA-QMMMGPOBSA-N 307.306 -0.270 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)C(=O)N1CCCC1 365506322 HASKJLQIWPWLSM-LBPRGKRZSA-N 321.308 -0.101 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccc(F)cc2C1)C(=O)NC1CC1 378309274 FDZFVKJKQSACPZ-VIFPVBQESA-N 321.308 -0.197 50 20 DBGD CN(Cc1nnc2n1CCC2)C(=O)c1ccc(B(O)O)c(F)c1 584927283 PPQXMFNNZQKDTO-UHFFFAOYSA-N 318.117 -0.685 50 20 DBGD O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc(B(O)O)c1 584970911 VADMEDCXJDRUNE-DZGCQCFKSA-N 305.139 -0.566 50 20 DBGD O=C(NCCO[C@@H]1CCCCO1)c1ccc(B(O)O)c(F)c1 584991406 YFTVUIWHNHBUCH-CYBMUJFWSA-N 311.118 -0.222 50 20 DBGD C[C@H]1CN(CCNC(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C)CO1 585006156 IPGBMZMFDJQQQX-QWRGUYRKSA-N 324.161 -0.656 50 20 DBGD CSc1cccc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)c1 585058780 PQYOSFACUSWDRS-VIFPVBQESA-N 308.168 -0.110 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@@H]1CCCO1 729275520 PCFKSUUTYZRKQF-BDAKNGLRSA-N 307.372 -0.969 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 729537096 XDZWFDMUCIASJG-UHFFFAOYSA-N 324.296 -0.031 50 20 DBGD CC(C)CC(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O 731686807 PVMBYNDKTVFRSS-UHFFFAOYSA-N 308.404 -0.309 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)NCc2ccco2)cn1 735472865 FYMPXWFLWRRCLO-UHFFFAOYSA-N 320.309 -0.727 50 20 DBGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)N(C)C)c1C 751772804 OONUTPKWNQLRMC-UHFFFAOYSA-N 314.367 -0.133 50 20 DBGD CCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CO)c1 753438546 NNJZJLOWVKCNBY-UHFFFAOYSA-N 320.754 -0.113 50 20 DBGD CCc1nc(C(=O)NNC(=O)CO)nn1-c1ccccc1F 753451730 IFELNCPZNBQHNP-UHFFFAOYSA-N 307.285 -0.278 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2cnco2)c2ccccc2c1=O 758070577 FBKSSFVDHHQSGB-UHFFFAOYSA-N 313.273 -0.004 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C#N 764210391 DCWHMZKPZCYAJM-UHFFFAOYSA-N 307.285 -0.655 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCN(C)C(=O)C1 769770118 QURXJDYQURZCOP-MRVPVSSYSA-N 304.441 -0.287 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2nnc(O)n2c1 772233301 UYDUFJCIWSZFKY-SSDOTTSWSA-N 321.293 -0.462 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnn[nH]2)cc1 805608841 JPTQATPGBNZATH-UHFFFAOYSA-N 314.261 -0.706 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)c(C2CC2)n1 813429531 RAWQFQAIYULFRW-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 823988375 REWSYDHRZVNQTG-KKOKHZNYSA-N 311.382 -0.106 50 20 DBGD CNC(=O)NCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 826067180 DKXFAYJFJKCKDJ-UHFFFAOYSA-N 323.317 -0.650 50 20 DBGD CCO[C@@H]1CN(S(=O)(=O)CBr)C[C@H]1CN 850590061 UKCJYNKWNMYYGZ-HTQZYQBOSA-N 301.206 -0.036 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](C)S1 858695354 DJYREPZBPSHGCM-HRDYMLBCSA-N 300.384 -0.168 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2COCc3ccccc32)N1 858702818 OFSOAAQYUPLJSP-VXGBXAGGSA-N 318.333 -0.133 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NN[C@@H](C)C(F)(F)F 862312318 JJEUIDSYSSOBCL-CBAPKCEASA-N 324.303 -0.315 50 20 DBGD CC[S@@](=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450267 PSJBRHHDGYTYOL-MLMJSJRWSA-N 323.374 -0.146 50 20 DBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)[C@@H]1CCC(=O)N1 863147242 BJCPJBOJOAZWPO-KOLCDFICSA-N 306.322 -0.049 50 20 DBGD CCc1ccc(C#CC(=O)NNC(=O)CS(C)(=O)=O)cc1 863465283 AAYPOWONBQNEEP-UHFFFAOYSA-N 308.359 -0.208 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)C1CCOCC1 905567303 DLXVKQSXRXJYDG-UHFFFAOYSA-N 303.384 -0.139 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C)C2)c1 914712551 LHTGHRXUPPSSOI-SNVBAGLBSA-N 321.333 -0.057 50 20 DBGD C[C@H](NS(=O)(=O)CBr)[C@H]1CN(C)CCN1C 919990584 QMFIFADGYJYIGM-DTWKUNHWSA-N 314.249 -0.108 50 20 DBGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(C)=O 1116598362 CKSLVTXOVWEBAB-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD C[C@H](C1CC1)n1cc(NC(=O)C(=O)NNC(=O)CCO)cn1 1116670883 FRAYPWNZTFLYTJ-MRVPVSSYSA-N 309.326 -0.678 50 20 DBGD Cc1cncc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1 1118140157 BITJGBIIPXEGJW-ONGXEEELSA-N 306.322 -0.099 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C)N2CCN(C)CC2)n[nH]1 1261878434 MOQQQPYARPIVOQ-LLVKDONJSA-N 308.386 -0.956 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCN1C 1318837737 OGJIWVLLVXFWMH-GHMZBOCLSA-N 311.386 -0.578 50 20 DBGD C[C@@H]1C[C@H](CCNC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1320078651 QLNSMKGHRXSORQ-NXEZZACHSA-N 312.370 -0.199 50 20 DBGD COCc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)OC 1320901862 WEVBUXWMEDNEHG-UHFFFAOYSA-N 309.278 -0.908 50 20 DBGD CN(CC(=O)NNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1321731036 VSLOCWXUAPBRME-JTQLQIEISA-N 303.384 -0.947 50 20 DBGD CC(=O)NCc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1329530200 MDNVLSRLGIOVCK-GFCCVEGCSA-N 318.333 -0.638 50 20 DBGD O=C(NNS(=O)(=O)C[C@H]1CCCOC1)C1CCOCC1 1331925103 OJXHRXGJRKLYPH-JTQLQIEISA-N 306.384 -0.210 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CO[C@@H]1CCOC1 1334339879 KOSGXEHBSKETGP-SNVBAGLBSA-N 304.343 -0.272 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)CN1C(=O)CCC1=O 1519104687 CRBVDSDDTZZCAJ-UHFFFAOYSA-N 321.289 -0.933 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1)[C@H]1CC(=O)N(c2ccccc2F)C1 1580732477 DJVPHISVRZJSCR-GXSJLCMTSA-N 320.324 -0.312 50 20 DBGD Cc1cc(NC(=O)NNC(=O)CCO)ncc1-c1nn[nH]n1 1580983700 WJWDMZSKZPGIDI-UHFFFAOYSA-N 306.286 -0.895 50 20 DBGD O=C(CN1CCOC1=O)NNc1cccc(-c2nn[nH]n2)c1 1592868817 FXMPBOKMGUGDFQ-UHFFFAOYSA-N 303.282 -0.238 50 20 DBGD C[S@@](=O)Cc1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1599777373 UFOCULZVSSWXBX-OAQYLSRUSA-N 313.335 -0.520 50 20 DBGD Cc1cc(C)c(C(=O)O)cc1NC(=O)C(=O)NNC(=O)CCO 1600154152 YHHQFVGRPPZOIK-UHFFFAOYSA-N 323.305 -0.530 50 20 DBGD O=C(CCNC(=O)NNC(=O)C(=O)O)NC1CCCCC1 1601277541 LJQBIDODGIXDGM-UHFFFAOYSA-N 300.315 -0.760 50 20 DBGD CN1CCO[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1=O 1604870551 UQFWMUVBLOQFFE-SNVBAGLBSA-N 317.309 -0.833 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-c2nn[nH]n2)o1 1606851643 GLNYWDVBHFBLQY-UHFFFAOYSA-N 307.270 -0.854 50 20 DBGD Cc1c(NNC(=O)CN2CCNC(=O)C2)cccc1C(=O)O 1607553269 OFDNWSMGADJPAJ-UHFFFAOYSA-N 306.322 -0.432 50 20 DBGD Cc1nc(C(=O)NNC(=O)NC2CC2)ccc1-c1nn[nH]n1 1609447855 DRIUOGUKUOBECA-UHFFFAOYSA-N 302.298 -0.323 50 20 DBGD O=C([C@@H]1C=CCN1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841351363 SRUQQDOWIAZWJH-QWRGUYRKSA-N 313.785 -0.683 50 20 DBGD CC(C)CC(=O)NNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 36648066 FJDXLSQYHLRDHU-UHFFFAOYSA-N 318.333 -0.117 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCCC2)NNc1ncc(F)cn1 122543108 QKUIEKGSMMCMLQ-UHFFFAOYSA-N 321.316 -0.156 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnsn2)C[C@@H](C)O1 264819281 HFNNXRHEQBHOGJ-DTORHVGOSA-N 313.383 -0.202 50 20 DBGD Cc1cc(C)nc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)n1 268494103 VXPUTZXAFJSPMO-VHSXEESVSA-N 308.342 -0.248 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cncc(-n2ccnn2)c1 283480825 NFXQXEFMXZQDHE-UHFFFAOYSA-N 317.309 -0.651 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1C(=O)O 299453282 UJJWHQIUSFFOGD-UHFFFAOYSA-N 317.323 -0.142 50 20 DBGD Cc1nnc(CNC(=O)c2ccc(B(O)O)cc2)n1C1CC1 584971067 KLSXOKYMNNZNLB-UHFFFAOYSA-N 300.127 -0.469 50 20 DBGD CC[C@@H]1CN(CCNC(=O)c2ccc(B(O)O)cc2)CCO1 584983234 UYQPVNQIACQBPR-CQSZACIVSA-N 306.171 -0.793 50 20 DBGD C[C@H]1CN(CCCNC(=O)c2ccc(B(O)O)cc2)CCCO1 584984314 ZEKATLFWBTWAED-ZDUSSCGKSA-N 320.198 -0.403 50 20 DBGD O=C(N[C@@H](CO)C1CCOCC1)c1cc(B(O)O)ccc1F 584984487 VXSXFTXGEDCHKY-ZDUSSCGKSA-N 311.118 -0.977 50 20 DBGD Cc1noc(C23CC(CN2C(=O)c2cccc(B(O)O)c2)C3)n1 585010036 IAELLVPIHSTYTJ-UHFFFAOYSA-N 313.122 -0.181 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ncccn2)cc1 743307878 XYAJABIAUKOILT-UHFFFAOYSA-N 320.330 -0.045 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2(O)CCC2)c1 744841805 YIEMLFPNIFHMJE-UHFFFAOYSA-N 317.301 -0.223 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)n1nnnc1C(C)(C)C 755285807 UOKHGNRBFNRYAP-QMMMGPOBSA-N 320.357 -0.355 50 20 DBGD O=C(NCc1ccco1)NNC(=O)c1ccc2nnnn2c1 758186332 FAUMGJQGPQWYCF-UHFFFAOYSA-N 301.266 -0.139 50 20 DBGD C[C@H](C#N)C(=O)N1CCN(S(=O)(=O)CBr)CC1 758536391 VBDMCMAAQFAUIH-MRVPVSSYSA-N 324.200 -0.028 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2nccn2C)CC1 760875855 OTIDXZJCEQJQAN-NSHDSACASA-N 308.386 -0.512 50 20 DBGD O=C(CO)NNC(=O)Cc1ccnc(O)c1Br 774068034 RNYBNHIYVOWWML-UHFFFAOYSA-N 304.100 -0.768 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCCN1CCN(C)CC1 778954447 WQDPHVABKBJNFU-ZDUSSCGKSA-N 313.446 -0.498 50 20 DBGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)C2CCCC2)C1 779696418 NANYVIPWPZMVLN-UHFFFAOYSA-N 318.399 -0.602 50 20 DBGD C[C@]1(NNC(=O)N[C@@H]2CCC[C@@H]2CCO)CCS(=O)(=O)C1 779715003 WAMBIFFIHGAZGP-WZRBSPASSA-N 319.427 -0.082 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)N2CCO[C@@H](C(=O)O)C2)cc1 819095756 KPKDZDMKASBSFT-LLVKDONJSA-N 318.289 -0.302 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NCCCCC(=O)O)nc21 821315534 UETNIZNKENIJHT-UHFFFAOYSA-N 323.313 -0.050 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 823934080 BIJSXWBPBRPDQK-SNVBAGLBSA-N 305.338 -0.472 50 20 DBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)O)c1 831440134 QPFWSMMKCCXNSJ-UHFFFAOYSA-N 304.280 -0.057 50 20 DBGD NCCN(CCO)CC(=O)NNC(=O)c1ccccc1Cl 843368705 YDWOYKUBWRIXHZ-UHFFFAOYSA-N 314.773 -0.646 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1SC(=N)NC1=O 843973100 JDVIPFKSUPVYRU-XVMARJQXSA-N 300.340 -0.885 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CCO[C@H]2CN)nc2ccccc2c1=O 852803657 ODTAHFGXJXRSJG-PWSUYJOCSA-N 317.349 -0.260 50 20 DBGD O=C(CNC(=O)OCC(F)(F)F)NNC(=O)c1cc[nH]n1 855358682 SCTWGTIEVUSWKJ-UHFFFAOYSA-N 309.204 -0.541 50 20 DBGD C[C@@H]1SCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H]1C 858695863 GNENCCFMRUYHQH-CIUDSAMLSA-N 300.384 -0.168 50 20 DBGD CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696639 MLWHRJCISGHCDD-MNOVXSKESA-N 312.370 -0.247 50 20 DBGD COc1cccc(F)c1C(=O)NNC(=O)CS(C)(=O)=O 863463116 SCVVQUQOMJKLHN-UHFFFAOYSA-N 304.299 -0.360 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cc(O)ncn2)C[C@@H](C)O1 863854330 MHMOVNARZPSTCX-NXEZZACHSA-N 323.353 -0.558 50 20 DBGD CCCC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863878133 AHMPXZDLYCNROX-LBPRGKRZSA-N 311.118 -0.033 50 20 DBGD O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NNc1nccc(N2CCOCC2)n1 896666768 UBUNSVAXORHPMY-JIMOISOXSA-N 317.349 -0.019 50 20 DBGD C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)S(C)(=O)=O 915356164 CEMIDPQPYMNALC-SSDOTTSWSA-N 314.319 -0.391 50 20 DBGD Cc1cnn(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 917622247 PGFBGVYIVSETAP-NSHDSACASA-N 300.384 -0.316 50 20 DBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 1116618738 GQTIWHAXRSNKDO-UHFFFAOYSA-N 304.306 -0.458 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)CC(F)(F)F)nn1 1318123125 PCDDZKWOZLDWPC-UHFFFAOYSA-N 322.247 -0.920 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)on1 1324925114 QIBUDMZGTBDHRA-ZETCQYMHSA-N 315.307 -0.654 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(OC)c1F 1326090346 ZGCKWQLORKLGPF-UHFFFAOYSA-N 313.241 -0.907 50 20 DBGD CCC[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)S(N)(=O)=O 1328342562 MWWUPDGUMGNJEX-XHNCKOQMSA-N 307.372 -0.984 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CCN(C)CC1 1330902913 PALUGXHTZORMBY-JTQLQIEISA-N 302.375 -0.538 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3c(nc2O)CCC3)N1 1331804626 XMAMVVDJNUXDHK-JTQLQIEISA-N 304.306 -0.685 50 20 DBGD CN(C)c1nccc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1 1549320840 ONBVCDOZBMKPEI-CHWSQXEVSA-N 318.381 -0.144 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCNC2)[C@H]1CCN1C1CCOCC1 1580732961 LBDIWSKIAHWAIN-WOSRLPQWSA-N 322.409 -0.613 50 20 DBGD Cn1c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cccc1=O 1592549425 BYRDHWJFKNYDQC-UHFFFAOYSA-N 312.293 -0.283 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1ncccc1C(=O)O 1594679877 UGDVMWBJYCOAJO-SSDOTTSWSA-N 307.266 -0.789 50 20 DBGD O=C(O)C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCCl 1608690298 GQFBHGYKEJJVQE-QMMMGPOBSA-N 312.775 -0.390 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(OCCC(=O)O)cc1 1609622297 NBTMABZCWREVQW-UHFFFAOYSA-N 309.278 -0.354 50 20 DBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)C(=O)NC1CC1 10215802 NEIHOSVFZPYGDB-UHFFFAOYSA-N 310.354 -0.891 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 49152570 WEMHEXPOSFCMKZ-UHFFFAOYSA-N 301.324 -0.030 50 20 DBGD COc1ccsc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273464564 IGDGOFNZBSEHIM-ZCFIWIBFSA-N 321.380 -0.545 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)C2CN(C(C)=O)C2)c1 276607151 MJQCTXGXFOWXIY-UHFFFAOYSA-N 320.349 -0.267 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cc2ccc3c(c2)OCO3)CC1 278773247 YJDWBYRAAOHHIH-UHFFFAOYSA-N 320.349 -0.054 50 20 DBGD C[C@H](C(=O)NNc1ccc(C(N)=O)nn1)N(C)CC(F)(F)F 287716754 LCBOPEUKVMCZLQ-ZCFIWIBFSA-N 320.275 -0.099 50 20 DBGD COC(=O)c1ccc(NNC(=O)CCn2ncn(C)c2=O)nc1 293337047 GIROKRICIPOABF-UHFFFAOYSA-N 320.309 -0.703 50 20 DBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)C1CC1 299221131 KKAFBKFRQNMQIU-ZETCQYMHSA-N 317.392 -0.028 50 20 DBGD O=C(NC1(CCO)CCOCC1)c1cc(B(O)O)ccc1F 585006994 SEAPOEAXYSIDRE-UHFFFAOYSA-N 311.118 -0.833 50 20 DBGD CC(C)[C@@H](CNCc1ccccc1B(O)O)N1CCN(C)CC1 585017884 NIUCTEHBHSTPKP-QGZVFWFLSA-N 319.258 -0.272 50 20 DBGD OB(O)c1ccc(CNCCCN=c2cc[nH]cc2)c(F)c1 585026572 PNWYDDKJWDVSMF-UHFFFAOYSA-N 303.146 -0.086 50 20 DBGD O=C(NCB(O)O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 585060306 CFBIMRUHCYYDSO-NSHDSACASA-N 308.118 -0.194 50 20 DBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)N1CCOCC1 745730537 UXQZJWHIUXHWCR-NSHDSACASA-N 315.443 -0.108 50 20 DBGD O=C(NCc1cccc(F)n1)NNC(=O)C(=O)N1CCCC1 749236346 MHBJBOUBIXCRRK-UHFFFAOYSA-N 309.301 -0.327 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCc2ccccc2)c(O)nc1=O 749801310 ZEDRMQSDCXZSSA-UHFFFAOYSA-N 316.317 -0.120 50 20 DBGD CSc1nnnn1-c1cccc(NC(=O)NNC(=O)CO)c1 755733890 MAYFDAFNQUYKOP-UHFFFAOYSA-N 323.338 -0.471 50 20 DBGD CN1CCCC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 758118428 XVDREIYAMMGNQZ-NSHDSACASA-N 302.400 -0.056 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](S(C)(=O)=O)C1 763915660 CRNXEONNTYKQSL-NXEZZACHSA-N 305.400 -0.559 50 20 DBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNc1cccnn1 776935901 HIVVDNJDCSZJDH-MNOVXSKESA-N 311.342 -0.077 50 20 DBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)CNC(=O)c1cccnc1 811644805 LKBCWXCAYGCVFN-LBPRGKRZSA-N 317.349 -0.028 50 20 DBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 812535144 WKJCLPKNKDJVSK-QWRGUYRKSA-N 322.365 -0.123 50 20 DBGD CN(CC(=O)NNc1nc[nH]n1)S(=O)(=O)c1ccccc1 816632264 ARYZNBBSSQJLJU-UHFFFAOYSA-N 310.339 -0.432 50 20 DBGD C[C@H](O)CN(C)NC(=O)Cn1cc(Br)ccc1=O 823718807 GFIINJSSSDTANU-QMMMGPOBSA-N 318.171 -0.045 50 20 DBGD CCOC(=O)C[C@@H](NC(=O)NNC(=O)COC)C(F)(F)F 824762447 ULDJDOPGAISDFA-ZCFIWIBFSA-N 315.248 -0.153 50 20 DBGD Cc1c(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1C 842589936 LTTVAZBUWSDAML-IUCAKERBSA-N 302.356 -0.537 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(-n2cncn2)n1 854682726 GETDFUXECHDRIT-LLVKDONJSA-N 316.321 -0.008 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(C)c2c(O)nc(O)nc2n1 854924193 RCKGARGNYZIVML-UHFFFAOYSA-N 322.350 -0.175 50 20 DBGD CCC1(Cn2cc(C(=O)NN(C)C(=S)NC)nn2)COC1 854927446 ISPOBOINMCZNSD-UHFFFAOYSA-N 312.399 -0.214 50 20 DBGD CCOC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858386762 URVXQJKSJIGVAI-UWVGGRQHSA-N 300.359 -0.344 50 20 DBGD CCC[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OCC 858683947 YQPQFNNFYYZIDA-NXEZZACHSA-N 300.359 -0.199 50 20 DBGD N#C[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCN1C1CC1 858705053 UXIXBMXMBKVQAJ-LLVKDONJSA-N 303.326 -0.564 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cn1 861716295 QVVXFRNXTRRHSM-AZNSZHPSSA-N 315.377 -0.005 50 20 DBGD C[C@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862456304 OCXNEVKTZJDFPM-SIVJFFJCSA-N 319.361 -0.033 50 20 DBGD O=C(NNC(=O)N1CCO[C@H](C(F)F)C1)c1ncccn1 873045579 GRQHPNPKWAFCIO-ZETCQYMHSA-N 301.253 -0.203 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CSCC(=O)N2)cc1 891957686 ICDOKVHKVCLWMJ-NSHDSACASA-N 322.390 -0.214 50 20 DBGD O=C1CN(CC(=O)NNC(=O)CCOc2ccccc2)CCN1 900436201 VSTZVXFJCSSMLQ-UHFFFAOYSA-N 320.349 -0.965 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccn1CCN1CCOCC1 907628111 VRKMVBQVUZCGJR-UHFFFAOYSA-N 324.381 -0.648 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc[n+]([O-])c2)C[C@@H](C)O1 912921388 OUBODUKLTMIGGK-VXGBXAGGSA-N 322.365 -0.420 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1COc2ccccc21 913730771 IQHUQRNHYINMOJ-LLVKDONJSA-N 303.318 -0.068 50 20 DBGD O=C(CCNC(=O)c1ccco1)NNC(=O)CN1CCCC1=O 920827026 QXAQMNBKTRXGAS-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)c2ccccc2F)cn1 1116619164 RGJFAWGLKNZGDE-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)o2)cn1 1251914365 GQJBEJFTOMXICI-UHFFFAOYSA-N 312.307 -0.509 50 20 DBGD C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)S(C)(=O)=O 1253604329 JGWZWFPIOOYYMV-SECBINFHSA-N 314.367 -0.612 50 20 DBGD N#CCc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1261834201 AQJAHJGZMREWTK-LLVKDONJSA-N 322.346 -0.659 50 20 DBGD CSCCNC(=S)NNC(=O)c1c[nH]c(C(N)=O)c1 1319722183 VHDYYNUYCYJTOQ-UHFFFAOYSA-N 301.397 -0.415 50 20 DBGD CCCNC(=O)NNC(=O)C1(S(C)(=O)=O)CCOCC1 1324461057 YXXLIOINGBVPCH-UHFFFAOYSA-N 307.372 -0.679 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1Cl 1326089943 REJYVUZMPYSAKV-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)CC2 1326495920 FAHVRMNHWPRDKA-JTQLQIEISA-N 302.338 -0.133 50 20 DBGD CCOc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)[nH]n1 1329312169 OMDKEGOUBYMLSS-SECBINFHSA-N 316.383 -0.086 50 20 DBGD C[C@H](Cc1ccccn1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331314806 KYTNXFFAWWISCE-KOLCDFICSA-N 305.338 -0.378 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)o1)c1ccnnc1 1582561462 GXMXXDCEXLIMHH-UHFFFAOYSA-N 300.238 -0.676 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(C(=O)O)c1F 1593353481 XYPKCYIMIQHYSQ-LURJTMIESA-N 319.314 -0.095 50 20 DBGD CS(=O)(=O)SCCNC(=O)C1(C(=O)O)CCOCC1 1594171115 BYKXJPVWGJKEKS-UHFFFAOYSA-N 311.381 -0.323 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1594442292 QQRBDVREEKNXPH-RKDXNWHRSA-N 310.310 -0.251 50 20 DBGD CC[C@H](C(=O)O)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 1604879029 YUQHNVTZJHESQQ-MXWKQRLJSA-N 315.370 -0.256 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(C(=O)O)nc1 1608479249 VRJAJDFHTLTXLV-VIFPVBQESA-N 310.266 -0.652 50 20 DBGD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)CN1 1843365816 LQYYUOOOTJNKSK-WCBMZHEXSA-N 317.748 -0.140 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(-n2cnnn2)c1 106417587 KFYGYXJWYYAIJI-UHFFFAOYSA-N 312.293 -0.611 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2cccnc2Cl)c1=O 128534369 ISCSCTTXGAAAOI-UHFFFAOYSA-N 309.713 -0.261 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)CCc2ccccc2O)CC1 264414153 UTAWARIVEUSQRL-UHFFFAOYSA-N 305.334 -0.002 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1nnc(C2CC2)s1 273618516 LPHYSGKDUQBHJI-UHFFFAOYSA-N 305.385 -0.202 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)NCC(F)(F)F 281200752 LAAOXDCNIPBLPS-UHFFFAOYSA-N 310.192 -0.316 50 20 DBGD CN1CCN(C(=O)NNC(=O)C(=O)c2ccc(O)cc2)CC1 288073662 UOKIKOAHRUYSAF-UHFFFAOYSA-N 306.322 -0.437 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 494538926 KOLYLTWWLFXFNY-UHFFFAOYSA-N 314.342 -0.815 50 20 DBGD CNC(=O)COc1ccc(C(=O)NNC(=O)OC)cc1OC 495409099 WQFDSRDJZCXESS-UHFFFAOYSA-N 311.294 -0.179 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](n2cccn2)C1 584993132 WEMFPFNLLMENRS-NSHDSACASA-N 303.102 -0.211 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 731499131 KOKSHKFPWCLJMP-SECBINFHSA-N 320.415 -0.213 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CCOC1 733341452 BTGSPONFNKMZIO-AWEZNQCLSA-N 324.337 -0.234 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(C)(F)F 758048776 VYZXCJCFNBQCBR-LURJTMIESA-N 301.315 -0.493 50 20 DBGD CN(CC(=O)NNc1ccc(C(N)=O)nn1)[C@@H]1CCSC1 764565612 JIRPBJITIHNAQH-MRVPVSSYSA-N 310.383 -0.544 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCCc2c[nH]nc21 767227817 XDBLTYOPUAGEMC-JTQLQIEISA-N 320.353 -0.260 50 20 DBGD CC(C)(C)[C@@H](Br)C(=O)N(CC(N)=O)CC(N)=O 781087496 HMLBVNHASHQRON-QMMMGPOBSA-N 308.176 -0.405 50 20 DBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802026972 ZGCRDYRDOLQSRB-JTQLQIEISA-N 305.338 -0.085 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnn[nH]2)c1 805603653 RMSCFOOAZVIKCT-UHFFFAOYSA-N 314.261 -0.706 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NN(C)[C@H](C)CO)C1 823965110 ISKFHWWELNTYFC-MNOVXSKESA-N 307.416 -0.608 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CCCS(=O)(=O)N1CCCC1 823971482 VBJCIDQEVNNQJS-NSHDSACASA-N 307.416 -0.464 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCC(=O)N(C)C 825761004 GYQOLPJVXMPSKE-UWVGGRQHSA-N 300.359 -0.390 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 833438783 LJMGFWTYOXPCBT-RQJHMYQMSA-N 301.299 -0.621 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 854922086 XDPGQNRRDXLMHR-DTORHVGOSA-N 310.379 -0.595 50 20 DBGD CC[C@H](C)[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858503457 ATTGHLDNGSAMHT-AEJSXWLSSA-N 300.359 -0.344 50 20 DBGD COc1cccc2c1NC(=O)C2=NNC(=O)[C@H]1CCC(=O)N1 863151923 YBALPTJHOJABDS-MRVPVSSYSA-N 302.290 -0.254 50 20 DBGD COC(=O)CN(C(=O)c1cccc(B(O)O)c1)C1CCCC1 863875601 BYWPJLJGLYPIAH-UHFFFAOYSA-N 305.139 -0.076 50 20 DBGD C[C@H]1CN(CCNC(=O)NNC(=O)C2CCOCC2)CCO1 883271336 KJLBTXOUSZTPMT-NSHDSACASA-N 314.386 -0.536 50 20 DBGD C[C@H](CC[S@](C)=O)NC(=O)c1cc(B(O)O)ccc1F 900877108 CSNDDOQEKQSCNL-SQFXPLBJSA-N 301.148 -0.608 50 20 DBGD CN1CCN(C)CC(C(=O)NNc2nc3ccccn3n2)C1 907697688 LYTLCSSPRGQOFZ-UHFFFAOYSA-N 303.370 -0.334 50 20 DBGD CC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 913466321 XENMLVZKOOLBCD-NSHDSACASA-N 307.285 -0.587 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CN1CCCS1(=O)=O 918690279 NZUYTIHKELNMSH-UHFFFAOYSA-N 308.429 -0.684 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)c1ccc2nnnn2c1 1323250652 QVCDAJUKVOACRF-UHFFFAOYSA-N 322.292 -0.143 50 20 DBGD N#Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCCO2)n1 1328223361 JLWHXHJHBGLFSO-SNVBAGLBSA-N 317.305 -0.392 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1332349162 WJVUXUQVQJHWOO-WDSKDSINSA-N 317.289 -0.488 50 20 DBGD Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1349432140 FHRZSANEIFBRQV-VHSXEESVSA-N 308.338 -0.208 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)[C@@H]1CN(C)CCN1C 1351788469 XPMLVNPMYCKCJD-PWSUYJOCSA-N 308.386 -0.407 50 20 DBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1589218733 CPOBTPIEKXGXAS-KRTXAFLBSA-N 318.351 -0.931 50 20 DBGD CN1C[C@H](O)C[C@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1591170345 FXHOKZJESWRPNO-BXUZGUMPSA-N 317.353 -0.235 50 20 DBGD COc1nccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)n1 1591667140 KDPHBVYZVJJBSZ-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1593157315 HXCRMLPLXZESFG-UHFFFAOYSA-N 313.281 -0.522 50 20 DBGD COCCN1C[C@@H](C(=O)NNc2ncccc2C(=O)O)CC1=O 1594014369 BHIAEUGNOFOFJB-VIFPVBQESA-N 322.321 -0.282 50 20 DBGD COc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)ncn1 1605196527 HLBFVSXQWSOBOQ-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ccc(CC(=O)O)cc1 1605727869 QMBSALGUXQUQJI-UHFFFAOYSA-N 315.351 -0.304 50 20 DBGD CN(C)[C@@H](CNC(=O)NNC(=O)C(=O)O)Cc1ccccc1 1606012391 WIBHYKMMQWXJQQ-LLVKDONJSA-N 308.338 -0.426 50 20 DBGD COc1nccnc1NNC(=O)c1cc(-c2nn[nH]n2)cn1C 1609366250 HSAVOISXUCDPRF-UHFFFAOYSA-N 315.297 -0.239 50 20 DBGD CNCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 195126584 MJKDHQGSYNQCAO-UHFFFAOYSA-N 317.349 -0.042 50 20 DBGD CCC(CC)N1C[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)CC1=O 264283196 OCJFEIUWUMNTFN-VIFPVBQESA-N 324.381 -0.551 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCC(=O)N1 270190915 CASWOHXCONUUIO-SNVBAGLBSA-N 321.333 -0.110 50 20 DBGD CCCn1nc(C(=O)NNC(=O)CO)c2ccccc2c1=O 270733070 CWIIQNMMGAGYGN-UHFFFAOYSA-N 304.306 -0.440 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cn(C)nn2)C[C@@H](C)O1 289436963 WEDVUICMFHUWRX-NXEZZACHSA-N 310.358 -0.925 50 20 DBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 291129423 GBSPVXIQVRLVGL-QWRGUYRKSA-N 324.293 -0.047 50 20 DBGD COC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C)cc1 298286483 BBQMQVGRZYOAEC-UHFFFAOYSA-N 301.324 -0.339 50 20 DBGD CCOCCONC(=O)NNC(=O)CNC(=O)OC(C)(C)C 495512541 PQNGRHMZVHANDO-UHFFFAOYSA-N 320.346 -0.190 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H]([C@@H]2CCCO2)C1 584957950 LARBVFXEVTWXQD-KBPBESRZSA-N 323.129 -0.475 50 20 DBGD Cc1nnc2n1CCC[C@@H]2NC(=O)c1cccc(B(O)O)c1 584959893 FFVZOPCZFRSATE-LBPRGKRZSA-N 300.127 -0.469 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC2(CCOCC2)O1 584982065 DKEGRAWYPIJEFZ-GFCCVEGCSA-N 319.166 -0.224 50 20 DBGD C=CCCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584986367 XCRUVDONIMQVET-UHFFFAOYSA-N 306.146 -0.161 50 20 DBGD COc1ccc(NCc2ccc(B(O)O)o2)cc1OCCO 585012156 NWZZPQTWUSBNKO-UHFFFAOYSA-N 307.111 -0.049 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CCNC(N)=O)cc1C 725995191 XMTAOLYIMGORED-UHFFFAOYSA-N 308.338 -0.112 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(N)c([N+](=O)[O-])c1 726612641 IXQQKOPXNCRDEP-UHFFFAOYSA-N 309.282 -0.537 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)CC(F)(F)F 727033963 ZWBLVMXSHPFPPK-UHFFFAOYSA-N 300.281 -0.153 50 20 DBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cnccn2)C1 739671516 USJIXYCCNJFXMR-NXEZZACHSA-N 313.383 -0.066 50 20 DBGD CC(C)NC(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C 747908926 RQPFOTFLKRPLHH-UHFFFAOYSA-N 324.403 -0.930 50 20 DBGD Cc1sc2ncn(CC(=O)NNC(=O)CO)c(=O)c2c1C 753438876 JVFLVXWAPZTAEW-UHFFFAOYSA-N 310.335 -0.785 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc2c(cc1O)OCO2 755279034 IPJYTCJAEXDKRI-UHFFFAOYSA-N 304.262 -0.152 50 20 DBGD CCNC(=O)N1CCc2ccc(NC(=O)NNC(=O)CO)cc21 756730949 VOGTXYWLHPMFRC-UHFFFAOYSA-N 321.337 -0.076 50 20 DBGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)CC)c1=O 757763377 KWAFYJYBFXAYLW-UHFFFAOYSA-N 310.310 -0.026 50 20 DBGD Cc1ncc(C(=O)NNC(=O)CNC(=O)c2cccnc2)[nH]1 764345850 ZAJADJRANKCIPZ-UHFFFAOYSA-N 302.294 -0.696 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1cccnc1)[C@@H]1CN(C)CCO1 769995015 DSAXKOKGOZVZFK-AAEUAGOBSA-N 321.381 -0.326 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)sc1C 770106273 XTEWKGFEKZOFJM-QMMMGPOBSA-N 317.392 -0.044 50 20 DBGD CC(C)c1nc(C#N)c(NNC(=O)Cn2ncn(C)c2=O)o1 778671489 KLXWBAGIPZUSIA-UHFFFAOYSA-N 305.298 -0.292 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1COC(C)(C)O1 783268921 JIHKBTQHJDWUJW-UWVGGRQHSA-N 319.358 -0.480 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)N1CCCCC1 825709898 VMAJPOIGBDJMLR-GHMZBOCLSA-N 312.370 -0.246 50 20 DBGD Cc1occc1C(=O)NCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843980198 RPDXKDATKCTQED-ONGXEEELSA-N 309.322 -0.110 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1scc2c1OCCO2 847298147 JUDSLWLEJADWPO-UHFFFAOYSA-N 313.335 -0.195 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCNC1=O 854216641 BQFGGZPVHYNESF-IUCAKERBSA-N 309.297 -0.124 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCN1CCCC1=O 854281008 MQHJDQADNMQWLX-UHFFFAOYSA-N 316.427 -0.127 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)[C@@H]2CCCC[C@@H]2N1 855356780 YGJVDSOOZDYRJX-GUBZILKMSA-N 305.338 -0.134 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)[C@H]2CCCC[C@H]2N1 855356781 YGJVDSOOZDYRJX-KXUCPTDWSA-N 305.338 -0.134 50 20 DBGD CCOC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCO1 858571361 FFKGHMLRCXNRFC-SRVKXCTJSA-N 315.370 -0.111 50 20 DBGD CCC[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OCC 858683949 YQPQFNNFYYZIDA-VHSXEESVSA-N 300.359 -0.199 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2nc3n(n2)CCCC3)N1 861175090 LPGRBGIQYOQHDB-SSDOTTSWSA-N 307.314 -0.954 50 20 DBGD C[C@@]1(C(=O)N2CCN(CC(N)=O)CC2)C[C@H]1Br 906428149 DOGDVORQEZJXSQ-LDYMZIIASA-N 304.188 -0.211 50 20 DBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)CC(F)(F)F 918064280 FGTYXYLWORCZJA-QMMMGPOBSA-N 312.292 -0.010 50 20 DBGD O=C(NCCO[C@@H]1CCOC1)NNC(=O)[C@@H]1CCCCO1 927521643 DVMGKSPLQODIGY-MNOVXSKESA-N 301.343 -0.309 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1cncc(F)c1 1119084437 UBKLPUVGYRKHCD-OIBJUYFYSA-N 309.301 -0.109 50 20 DBGD C[C@@H](NC(=O)NNc1nc2ccccn2n1)c1nnnn1C 1123737720 HMJUDVALBJXTME-SSDOTTSWSA-N 302.302 -0.360 50 20 DBGD O=C(CN1CCSC1=O)NNC(=O)C(=O)Nc1ccccn1 1252885042 DPAKWJUVUMIRSS-UHFFFAOYSA-N 323.334 -0.664 50 20 DBGD CCc1[nH]ccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1257418387 DJTCHHOXTIDYAW-MRVPVSSYSA-N 314.367 -0.292 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1319555451 UKNWACALNJZBIS-ZETCQYMHSA-N 309.326 -0.206 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCCS2(=O)=O)cn1 1320708989 PHBSCPKXPPOXFZ-VIFPVBQESA-N 300.340 -0.852 50 20 DBGD Cc1noc(C2CC2)c1NC(=O)C(=O)NNC(=O)CN(C)C 1321231840 YLKCTFFPALZXMR-UHFFFAOYSA-N 309.326 -0.492 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@@H]3OCCC[C@H]3C2)N1 1328717869 DOPCWOAXDRMIFR-AXFHLTTASA-N 310.354 -0.493 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)N1 1329175660 ZBGVVIYDEKPNRW-GWOFURMSSA-N 310.354 -0.447 50 20 DBGD CC(C)Cn1[nH]c(CC(=O)NNC(=O)c2cnn(C)c2)cc1=O 1332740857 IBRRKXUAUMOZME-UHFFFAOYSA-N 320.353 -0.430 50 20 DBGD COCC1(C(=O)NNC(=O)CN2CCCC2=O)CCOCC1 1335089219 HWYKIVUJNMUVQX-UHFFFAOYSA-N 313.354 -0.801 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNc1ccc(-n2ccnc2)nn1 1351936085 YVXRMZHKQPCCKL-UHFFFAOYSA-N 315.293 -0.746 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)C2CCNCC2)n1 1575294837 RXOXCBGVCRLSOI-UHFFFAOYSA-N 309.374 -0.882 50 20 DBGD COC(=O)c1ccc(C(=O)O)c(S(=O)(=O)NNC(C)=O)c1 1598965402 FEPGWKUADDYJOH-UHFFFAOYSA-N 316.291 -0.499 50 20 DBGD COCC(=O)NNC(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1 1605039773 UTGLSKMPLKFPTQ-UHFFFAOYSA-N 322.285 -0.931 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 68382734 UOYTUBQCGGVGDR-LLVKDONJSA-N 319.317 -0.500 50 20 DBGD C[C@H](CCc1cccn1C)NC(=O)NNC(=O)C(=O)NC1CC1 74746228 XIODWWYGQZCMHM-SNVBAGLBSA-N 321.381 -0.045 50 20 DBGD CC(=O)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 102678727 MGPQXLYYHZGTMH-UHFFFAOYSA-N 310.379 -0.327 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 139247812 UHXVNPANPNHPLP-UHFFFAOYSA-N 319.321 -0.298 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 156171380 WABKJPFLYDEZBE-CQSZACIVSA-N 320.393 -0.404 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2ccn(C)c12 190590789 LCGQUPZDXYFCAB-UHFFFAOYSA-N 317.349 -0.174 50 20 DBGD CN(C)C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1F 194507433 FAZUGPWJMMRCFY-UHFFFAOYSA-N 300.265 -0.003 50 20 DBGD CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)COc1ccccc1O 264536917 NBUKEIIKNRQGJV-LLVKDONJSA-N 321.333 -0.071 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)COCc2ccccc2)CC1 265665915 DRSGECIQRNKDKZ-UHFFFAOYSA-N 305.334 -0.123 50 20 DBGD CN(CC(=O)NNC(=O)C(C)(C)O)c1ccccc1[N+](=O)[O-] 277903208 HALCUVIPOHFOBH-UHFFFAOYSA-N 310.310 -0.051 50 20 DBGD CSSCCNC(=O)NNC(=O)C(=O)N1CCCC1 287710622 GIPXZKPUOIWLJQ-UHFFFAOYSA-N 306.413 -0.050 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F 288734188 FVIHVTWDKIAGJF-UHNVWZDZSA-N 320.293 -0.795 50 20 DBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(C)=O)c1 298272101 IKMPSMPLYROQGD-UHFFFAOYSA-N 315.351 -0.608 50 20 DBGD CCN1CCO[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 366528396 XPESCLKBQRWHQL-VXGBXAGGSA-N 319.427 -0.801 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CN2CCCN1CC2 376798417 HGPADHSQKZXPQQ-AWEZNQCLSA-N 320.368 -0.095 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494742655 PSLXWQWJLJCYTF-SSDOTTSWSA-N 302.331 -0.817 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 496663838 PYJIUUKILXKRNV-XPUUQOCRSA-N 316.314 -0.845 50 20 DBGD NC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584939773 YTYQSJNRDOLPLC-LBPRGKRZSA-N 305.143 -0.971 50 20 DBGD C[C@H](NS(C)(=O)=O)c1nc(-c2cccc(B(O)O)c2)no1 585054488 WPMWLQIJZNXNEX-ZETCQYMHSA-N 311.128 -0.973 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)COc2ccccc2O)CN1 730781033 CQFDPRWMWXNNNY-SECBINFHSA-N 307.306 -0.555 50 20 DBGD Cc1ccc(CCNC(=O)NNC(=O)C(=O)N2CCCC2)cn1 732472956 FUECFXFHVGHTNN-UHFFFAOYSA-N 319.365 -0.115 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 745833845 GMTKOFFDPCBZBC-UHFFFAOYSA-N 304.284 -0.235 50 20 DBGD CCc1sc(C(=O)NNC(=O)CNC2(C(N)=O)CC2)cc1C 754249309 RPVCGDNTMDZPQG-UHFFFAOYSA-N 324.406 -0.013 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)N3CCOCC3)cnc21 755199417 SGXLDCYYFHCCFI-UHFFFAOYSA-N 305.298 -0.950 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2CC(=O)C2)cc1 769801462 NDEWNBVBYKSKAU-UHFFFAOYSA-N 315.285 -0.158 50 20 DBGD C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 778709235 BECXTWLVDMRZEF-VIFPVBQESA-N 322.369 -0.498 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cc(Br)nn1C 782267274 BXNJIPGGMIQSGO-UHFFFAOYSA-N 318.131 -0.011 50 20 DBGD O=C(CC1OCCO1)NNC(=O)[C@H]1COc2ccccc2O1 788621062 KQFCVCYYMJACHF-LLVKDONJSA-N 308.290 -0.263 50 20 DBGD CC(=O)OCC(C)(C)CC(=O)NNC(=O)N1CCN(C)CC1 807381167 GSDLZAYTEYHHBO-UHFFFAOYSA-N 314.386 -0.046 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc3c(nc2O)CCC3)CC1 807383166 NBIOBHIWMMTDFU-UHFFFAOYSA-N 319.365 -0.122 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1CCc2nnn(C)c2C1 811073482 ADWDSDWWURFJIR-MRVPVSSYSA-N 303.326 -0.138 50 20 DBGD CC(C)(CCNC(=O)NNC(=O)[C@@H]1COCCO1)C(=O)O 818622692 DADORPDPRBXDFZ-QMMMGPOBSA-N 303.315 -0.767 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C[C@H]1C 827259215 HSGFZZZEKDBOKS-CHWFTXMASA-N 313.354 -0.107 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cncc(F)c1 842591185 AXRZMSVOMNVMQC-XVKPBYJWSA-N 303.315 -0.045 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccc(C(N)=O)cc1 843644752 DHHMSGCZKJCFKA-BXKDBHETSA-N 321.333 -0.263 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843975623 SGDLMLSODPEOHM-UTLUCORTSA-N 300.359 -0.214 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)N1 862459415 TUSQOAIBSGQXIG-HTQZYQBOSA-N 322.287 -0.703 50 20 DBGD Cn1cc(CC(=O)NNC(=O)CS(C)(=O)=O)c2ccccc21 863460376 UVYOVHGRUHZTQP-UHFFFAOYSA-N 323.374 -0.087 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)C[C@H]2CO)cc1 879002140 DAVXJIUMOGUDPW-AWEZNQCLSA-N 320.393 -0.636 50 20 DBGD Cc1cc(C)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)[nH]1 1252956714 OZTWAWFEHDRZIR-SECBINFHSA-N 314.367 -0.237 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)ccc21 1261830393 VEDJQRKCENUNKD-MRVPVSSYSA-N 302.294 -0.992 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnc(-n2ccnc2)c1 1317933432 ZSNGGCQEFUBVHW-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD O=C(NCCOCC1CC1)NNC(=O)C(=O)Nc1ccccn1 1319094707 KTMAMSQVGPXYLM-UHFFFAOYSA-N 321.337 -0.223 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 1321141043 UTWGQKPXGGYDOC-UHFFFAOYSA-N 320.349 -0.063 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)c2cnn(C)c2)s1 1323647670 BMQUWOQHKQJWSA-UHFFFAOYSA-N 310.339 -0.442 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNC(=O)NCC(F)(F)F 1326978254 KUJQPGOHMCJQFP-UHFFFAOYSA-N 317.231 -0.441 50 20 DBGD O=C(NNC(=O)c1ccn(CC(F)F)n1)C(=O)N1CCCC1 1339492042 ZPHFTJZEABDVQR-UHFFFAOYSA-N 315.280 -0.468 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCOC2(CCOCC2)C1 1349830129 SSOIPVFSOFGHJT-UHFFFAOYSA-N 304.368 -0.137 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 1514633787 WNYZFSUFJPGPJN-GFCCVEGCSA-N 303.322 -0.136 50 20 DBGD O=C(O)CSCCNC(=O)c1cc(B(O)O)ccc1F 1602099639 HGVVAPCSNGAIFZ-UHFFFAOYSA-N 301.104 -0.947 50 20 DBGD CN(NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OC(C)(C)C 1604826595 DFAWBKAUHIHRGV-UHFFFAOYSA-N 323.317 -0.644 50 20 DBGD O=C(O)c1cccc(NNC(=O)c2cnn(C[C@@H](O)CO)c2)c1 1608936509 XRHJZJFDONJHJQ-GFCCVEGCSA-N 320.305 -0.309 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1609558269 YFSUSELHCYWDGF-UHFFFAOYSA-N 315.293 -0.637 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCOC1)c1ccc(-n2cnnn2)cc1 263917725 QEBKUKXEKJTWRC-LLVKDONJSA-N 316.321 -0.150 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 273311783 NJBCTOIKUMTHAO-UHFFFAOYSA-N 310.266 -0.013 50 20 DBGD COCCN1CN(CC(=O)NNC(=O)c2ccccc2)CC1=O 282475861 LSZJXILTJKLGTQ-UHFFFAOYSA-N 320.349 -0.804 50 20 DBGD COCCN(C)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 288378842 IPRFWJHKYLDZML-UHFFFAOYSA-N 320.349 -0.039 50 20 DBGD C[C@@H](C(=O)NNC(=O)NC1CC1)N1C(=O)NC2(CCCC2)C1=O 363105401 VRXOAFPIXYIQEH-QMMMGPOBSA-N 323.353 -0.268 50 20 DBGD C[C@@H](NC(=O)CC(F)(F)F)C(=O)Nc1cccc(B(O)O)c1 584911769 YGYNUFAJGNBKDF-SSDOTTSWSA-N 318.060 -0.238 50 20 DBGD O=C1[C@H](NCc2cccc(B(O)O)c2)CCN1CC(F)(F)F 585023785 MCFKNVBJOLMUCF-LLVKDONJSA-N 316.088 -0.381 50 20 DBGD O=C1CC[C@](C(=O)N2CC[C@H](B(O)O)C2)(c2ccccc2)CN1 585063799 HHFSCHQFWFJBRI-XJKSGUPXSA-N 316.166 -0.090 50 20 DBGD CCN1CCCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 732471171 KYKXRURLDIOBMW-LLVKDONJSA-N 311.386 -0.530 50 20 DBGD CC1(OCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 746137442 CIGXTLZSOFFDAT-VIFPVBQESA-N 319.383 -0.537 50 20 DBGD O=C(CC[C@@H]1CCOC1)NNC(=O)CNC(=O)c1ccco1 751266521 MCPWKULANLUJHS-SNVBAGLBSA-N 309.322 -0.027 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1F 764302296 BGXRSKMDLFAVHC-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764421303 LLHYXSCHTVBKAQ-SECBINFHSA-N 309.322 -0.058 50 20 DBGD CCOCC(=O)NNC(=O)NCCS(=O)(=O)CC1CC1 767234182 NFWIPHJCSZNVMM-UHFFFAOYSA-N 307.372 -0.822 50 20 DBGD COc1ccnc(NNC(=O)NCCNC(=O)c2cc[nH]n2)n1 780881084 YMFLIGWKELMBOH-UHFFFAOYSA-N 320.313 -0.736 50 20 DBGD CCCN(CC(N)=O)CC(=O)NNC(=O)c1ccc(C)cc1 795508196 SETBFIHLZQTIMY-UHFFFAOYSA-N 306.366 -0.047 50 20 DBGD CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 801187850 PUVGOOORRVGEIX-IUCAKERBSA-N 301.343 -0.364 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2[nH]c(O)nc2c1 809667304 GZXFOJIVVYODJJ-UHFFFAOYSA-N 301.266 -0.610 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)c1ccccn1 816808423 NMEYXNYHOKFOTI-UHFFFAOYSA-N 314.367 -0.309 50 20 DBGD C[C@H](O)c1ncc(C(=O)NNC(=O)N2CCN(C)CC2)s1 819721398 RSPMTJWVKWZFTG-QMMMGPOBSA-N 313.383 -0.202 50 20 DBGD CCCN1CC[C@H](NC(=O)NNC(=O)[C@H](C)OCCOC)C1 823050009 WRCBVYVTOVFPEF-RYUDHWBXSA-N 316.402 -0.147 50 20 DBGD C[C@H](C(=O)NNC(=O)NC1CC1)n1cnc2c(N)ncnc21 823768447 VMZMTKHRCVMTMV-ZCFIWIBFSA-N 304.314 -0.538 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2NC(=O)O[C@@H]2C)nc1C 841412651 CEIGOWHQCAPRPA-VXNVDRBHSA-N 323.309 -0.098 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 842473397 BLMMSUOQHCWQPF-SNVBAGLBSA-N 321.337 -0.351 50 20 DBGD COC(=O)CNC(=O)NN=C1C(=O)N(C)c2ccc(OC)cc21 844589018 BTSBQEVOGUNTFE-UHFFFAOYSA-N 320.305 -0.152 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H](C)NC(N)=O)cc1 847293332 FVBVXIOOPSPBRV-SECBINFHSA-N 321.337 -0.472 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNc2cnccn2)CC1 847754851 QHGXXSIWLCPLLF-UHFFFAOYSA-N 313.383 -0.019 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1(N)CCCC1 851671787 TWDAQRXLTVVRLT-JTQLQIEISA-N 302.375 -0.360 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 854922498 AMPPZYWZSRSJTN-VIFPVBQESA-N 322.456 -0.486 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNc1cnnn1C)C2 857270699 LGWSTPIAQBWRSS-GUBZILKMSA-N 306.326 -0.099 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC[C@]2(O)C[C@H]3CC[C@H]2C3)N1 858483133 ZKDQEHJHMBHXPI-ZVXAKGHKSA-N 324.381 -0.463 50 20 DBGD CN(C)CCc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862460803 GXBNHDVCTCMFRX-ZDUSSCGKSA-N 318.377 -0.170 50 20 DBGD CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)CS(C)(=O)=O 863465756 FLULGVSHCVCFMC-UWVGGRQHSA-N 308.400 -0.244 50 20 DBGD CC[C@H](C)[C@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)OC 863865671 JKCKKIRDWMJXSQ-HZMBPMFUSA-N 323.154 -0.551 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)c1cc(B(O)O)ccc1F 900001111 HARVNKQHLFFSAN-UHFFFAOYSA-N 313.163 -0.587 50 20 DBGD CCCNC(=O)NNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1116174173 RKGOMMOWTQRMBU-VAWYXSNFSA-N 309.326 -0.357 50 20 DBGD Nc1cnnc(NNC(=O)[C@H]2CCS(=O)(=O)C2)c1Cl 1116298686 WEXNMWHEEIXVGG-YFKPBYRVSA-N 305.747 -0.410 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@H]1CC(=O)N1 1118732246 SJNHNAICHKFXIZ-SECBINFHSA-N 312.370 -0.645 50 20 DBGD CN1CCCC[C@@H]1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1123665219 VYFOMZRHIHYJDG-YPMHNXCESA-N 318.443 -0.148 50 20 DBGD CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)C(=O)NC1CC1 1318800607 TZGAKORLCSKNHK-NRFANRHFSA-N 318.399 -0.857 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1N(C)C 1320357665 FHIPJKNJMOLMQX-UHFFFAOYSA-N 308.338 -0.471 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CSc1cccc[n+]1[O-] 1326382802 PUNLPYPFSQEWRK-NXEZZACHSA-N 311.363 -0.016 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)N1 1328789455 QMYZHPHQAAGZDJ-MXWKQRLJSA-N 310.354 -0.447 50 20 DBGD CCn1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 1333323057 SLACHWCAAOUZMC-BDAKNGLRSA-N 309.326 -0.586 50 20 DBGD Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1334906675 AOMWQKXXIJTBRG-RCOVLWMOSA-N 309.326 -0.039 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O 1573909159 ZHMNZOYKSGCPRH-GFCCVEGCSA-N 315.326 -0.072 50 20 DBGD N[C@@H]1CCC[C@H]1CC(=O)NNC(=O)CNC(=O)c1cccnc1 1580378732 YXZXZQLSDTYWOT-CMPLNLGQSA-N 319.365 -0.524 50 20 DBGD O=C(NNC(=O)[C@H]1CCn2ccnc2C1)NC1CCNCC1 1580736238 PJOFGTDTXBPYLR-JTQLQIEISA-N 306.370 -0.472 50 20 DBGD O=C(O)Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1602134698 CDCBQHFSEJUDGZ-SNVBAGLBSA-N 305.290 -0.647 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1606899584 FQZNGPHSCFXZAB-XHNCKOQMSA-N 303.315 -0.769 50 20 DBGD O=C(NCc1ccc(OCC2CC2)nc1)NNC(=O)C(=O)O 1608469037 XEEZDPSCLXFEBK-UHFFFAOYSA-N 308.294 -0.215 50 20 DBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1F 49518673 BXERLGALRBQGKF-UHFFFAOYSA-N 303.315 -0.186 50 20 DBGD O=C(NNc1ncccn1)C1=CN2CCS(=O)(=O)N=C2C=C1 105798509 JVKLLSMOHVEJKG-UHFFFAOYSA-N 320.334 -0.583 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)Cc2ccc(F)cc2)c1=O 179705693 HBCJHBUILJVBIW-UHFFFAOYSA-N 307.285 -0.889 50 20 DBGD COc1ccnc(NNC(=O)[C@@H]2CCCCS2(=O)=O)n1 273259975 SYOQWIWRUNTPSE-QMMMGPOBSA-N 300.340 -0.104 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(-n3cnnn3)c2)O1 294406682 XYIDQPJMWHJLCB-CABZTGNLSA-N 316.321 -0.009 50 20 DBGD CNC(=O)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584926341 LEFXXZWHUAVJBF-UHFFFAOYSA-N 308.118 -0.896 50 20 DBGD O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc(B(O)O)c1 584932384 SLQPDPZSEHBZBP-CQSZACIVSA-N 315.138 -0.006 50 20 DBGD NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584960028 HIWNTKZNRIXFSZ-SKDRFNHKSA-N 308.118 -0.721 50 20 DBGD O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(B(O)O)c(F)c1 584997963 MKGZWRKOOIQEGR-GWCFXTLKSA-N 320.129 -0.611 50 20 DBGD CN1CCC(N2CCC(NCc3ccc(B(O)O)o3)CC2)CC1 585020760 ILJLKEIXIIXQTL-UHFFFAOYSA-N 321.230 -0.392 50 20 DBGD NS(=O)(=O)[C@H]1CCN(S(=O)(=O)CBr)C1 707496551 GZECWUIEZIHWOZ-YFKPBYRVSA-N 307.191 -0.969 50 20 DBGD COC(=O)CCCN1CCC(=NNC(=O)C(=O)NC2CC2)CC1 727061622 LRHRNHLHLRQJPT-UHFFFAOYSA-N 324.381 -0.214 50 20 DBGD CN(C)CC(=O)NNC(=O)CSCC(=O)N1CCCCC1 733361240 WEEAUBDLHHRPBM-UHFFFAOYSA-N 316.427 -0.559 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC(C)(C)N2CCOCC2)cn1 735513387 VGLPGUKQUXKPSU-UHFFFAOYSA-N 324.385 -0.525 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCN(CC2CC2)C1 739033796 CNYXSHOIOBKNQI-LLVKDONJSA-N 309.370 -0.920 50 20 DBGD COCCOc1cc(C(=O)NNC(=O)Cc2cc[nH]n2)ccn1 755270063 VSCGXWQKEZCTNM-UHFFFAOYSA-N 319.321 -0.166 50 20 DBGD Cc1cc(=NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc[nH]1 757806960 AVVGFIVXTDAJCT-SECBINFHSA-N 312.351 -0.601 50 20 DBGD CC[C@@H]1CC[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)O1 758031187 VGFBSHARUZCIAP-YIZRAAEISA-N 307.372 -0.971 50 20 DBGD COC[C@@H](O)C(=O)OCC(=O)NNC(=O)c1cccs1 766148716 QCBFIQBIYQVGIK-SSDOTTSWSA-N 302.308 -0.940 50 20 DBGD COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)NNC(=O)C1CC1 778238836 QFYURNHDUHDECE-MNOVXSKESA-N 313.354 -0.804 50 20 DBGD CC(C)CCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)nn1 788169255 LKOGSDNJKRFYGB-UHFFFAOYSA-N 323.401 -0.074 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn(CCF)c1 808569208 BBWHDZXHOZHYMI-QMMMGPOBSA-N 300.290 -0.045 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2ncn(C)n2)c1 811358184 MKQLVIQNZVMGEE-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NC[C@H]1CCCN1 841937488 UFPQOPGADQHASE-SNVBAGLBSA-N 308.338 -0.147 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H](CN)C2)cc1 843369651 RCRBOSMREXEALK-ZDUSSCGKSA-N 306.366 -0.584 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 845104411 HKFMXGMSAXWJPF-VIFPVBQESA-N 303.326 -0.575 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1ccc(Cl)nn1 846635588 PPPWPQAABKTVBI-UHFFFAOYSA-N 323.744 -0.032 50 20 DBGD CCOCCn1cc(C(=O)NNC(=O)c2cnn(C)c2)cn1 857129296 WRBKOBQIZJDQFF-UHFFFAOYSA-N 306.326 -0.272 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2cccc(F)c2)N1 858104868 ATDSTMDOKGAETI-NSHDSACASA-N 308.313 -0.023 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)CN1CCCC1 858277914 PTOOZAYEVGBMBO-WDEREUQCSA-N 311.386 -0.673 50 20 DBGD COC(=O)[C@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1F 863378342 BKTAUSBHCXKQNP-CMPLNLGQSA-N 309.297 -0.061 50 20 DBGD O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cs1 864230983 HWINATCYELJEHB-LURJTMIESA-N 306.130 -0.106 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c[nH]1 864231503 OLSFJXROIANHCV-SSDOTTSWSA-N 302.117 -0.961 50 20 DBGD COC[C@](C)(CO)NCC(=O)NNC(=O)Cc1ccccc1C 879161948 GGDMRUJLTCBFAZ-INIZCTEOSA-N 323.393 -0.328 50 20 DBGD C[C@]1(C(=O)NC[C@H]2CC(C(N)=O)=NO2)C[C@H]1Br 907606228 HOKUCNDKAFMCMO-LIGPWKHUSA-N 304.144 -0.094 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)CN1CCCC1 918221991 AGEUIJHQWYFUKP-SNVBAGLBSA-N 311.386 -0.673 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1n[nH]c2c1CCCC2 1116206199 XXCFRAJUDOZLAU-SECBINFHSA-N 308.338 -0.145 50 20 DBGD Cc1nc(N(C)C)sc1C(=O)NNC(=O)C(=O)NC1CC1 1254288870 RVCKCGLLNJWSSR-UHFFFAOYSA-N 311.367 -0.443 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCn1c(=O)oc2ccccc21 1319298563 DKVMKMZYEUSUAR-UHFFFAOYSA-N 322.277 -0.902 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 1321151236 DKDXGYKHWIDGMO-UHFFFAOYSA-N 315.289 -0.778 50 20 DBGD CCc1cnc(CNC(=O)NNC(=O)C(=O)NC2CC2)s1 1322208505 AOYGYRZXNOQWAI-UHFFFAOYSA-N 311.367 -0.186 50 20 DBGD COc1ccncc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326832927 QJMNPXDZSLWWKT-RKDXNWHRSA-N 322.321 -0.399 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)c2cccc(F)n2)nn1 1350389065 ZRGXKHBRQTYWLH-UHFFFAOYSA-N 307.289 -0.024 50 20 DBGD N[C@H]1CCCn2nc(C(=O)NNC(=O)N3CCOCC3)cc21 1580190582 IFRYPEGMOJGYQJ-VIFPVBQESA-N 308.342 -0.637 50 20 DBGD O=C(CNC1CC1)NNC(=O)[C@H]1C(=O)Nc2ccccc2C1=O 1580553291 KJPRCABCQSKBDF-GFCCVEGCSA-N 316.317 -0.663 50 20 DBGD OB(O)[C@@H]1CCN(c2c(-c3nn[nH]n3)nnc3ccccc23)C1 1593498831 VSNSVLGNNOXKGT-MRVPVSSYSA-N 311.114 -0.137 50 20 DBGD Cc1cc(F)ccc1S(=O)(=O)NNC(=O)NCC(=O)O 1600234233 WBFROZKZZIJTKS-UHFFFAOYSA-N 305.287 -0.289 50 20 DBGD O=C(NCC[S@@](=O)Cc1ccccc1)NNC(=O)C(=O)O 1601507784 UEMFWEXYFUSAGY-OAQYLSRUSA-N 313.335 -0.650 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1cc(C(=O)O)ccn1 1601553642 OXNPRZWNWWDSEA-QMMMGPOBSA-N 310.266 -0.652 50 20 DBGD C[C@H](Oc1ccc(NC(=O)NNC(=O)CO)cc1F)C(=O)O 1604438098 FJMWMUVFNSAOKV-LURJTMIESA-N 315.257 -0.177 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)N(C)C 106914539 HGCIFVVZCYZQHA-GFCCVEGCSA-N 310.354 -0.257 50 20 DBGD CCOCCN1CCN([C@H](C)C(=O)NNC(=O)CC)CC1 111227960 SALYLJSPHLHKIL-GFCCVEGCSA-N 300.403 -0.414 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 264135901 NKQRHHZMQOXFOP-MRVPVSSYSA-N 300.340 -0.911 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)COc1cccnc1 265846311 CGBRJVRSUQVDLL-UHFFFAOYSA-N 308.338 -0.087 50 20 DBGD O=C(NCC(=O)N1CCOCC1)NNC(=O)c1ccccc1F 272123439 UFUCISMHYJVPSR-UHFFFAOYSA-N 324.312 -0.372 50 20 DBGD COc1ccnc(NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)n1 272544645 YGSMYMCLLKSLOA-OIBJUYFYSA-N 309.326 -0.796 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCO2 274084685 RYBWGORVPNPBMG-UHFFFAOYSA-N 306.322 -0.731 50 20 DBGD CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 490575525 DKVSXWIJRAMFCY-UHFFFAOYSA-N 305.312 -0.079 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C(=O)OC 495408201 PVULOFJJWOZCSM-UHFFFAOYSA-N 313.241 -0.062 50 20 DBGD C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(B(O)O)c(F)c1 584949721 IXJMITDYRQYAJS-QMTHXVAHSA-N 308.162 -0.082 50 20 DBGD O=C(NCCCO[C@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584958897 URJIVVLHULQYPY-NSHDSACASA-N 311.118 -0.569 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@]2(CCOC2)O1 584983780 OUVJHSWWGHNCIO-XHDPSFHLSA-N 305.139 -0.614 50 20 DBGD O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(B(O)O)c(F)c1 585009337 XLBVMIZOCYITCO-GFCCVEGCSA-N 319.101 0.332 50 20 DBGD O=C(Cc1ccc(F)cc1)NCCNCc1ccc(B(O)O)o1 585021341 TXLBBURFQYGMLQ-UHFFFAOYSA-N 320.129 -0.453 50 20 DBGD Cn1ccnc1[C@@H](NCc1ccc(B(O)O)o1)C1CCOCC1 585041793 GNHAHYWGPBAICP-AWEZNQCLSA-N 319.170 -0.050 50 20 DBGD Cn1ncc(N2CC[C@@H](B(O)O)C2)c(Br)c1=O 585073533 MEWQRLRYTMGPSQ-ZCFIWIBFSA-N 301.937 -0.404 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1csc(N)n1 728436227 DVZAVPSJNHRJMF-LURJTMIESA-N 305.385 -0.497 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1[N+](=O)[O-] 729455531 JUGZBIYHLUOUQP-UHFFFAOYSA-N 306.238 -0.204 50 20 DBGD COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 735512768 MYFRILPOINVBRS-JTQLQIEISA-N 324.341 -0.405 50 20 DBGD CN1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736860398 OYCSJYIEFPTFLV-NSHDSACASA-N 315.337 -0.278 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739360457 FHVZYBOFUQNXNM-RKDXNWHRSA-N 302.290 -0.096 50 20 DBGD C[C@@H]1CC[C@H](CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)O1 743289717 BDDMYWSEHGFOMJ-OUAUKWLOSA-N 318.395 -0.084 50 20 DBGD CNC(=O)CCN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 744396333 HOHDXNRPIVPEIO-UHFFFAOYSA-N 317.349 -0.613 50 20 DBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)N2CCOCC2)CC1 746839502 CSZGCPFWVZTUGE-UHFFFAOYSA-N 319.383 -0.726 50 20 DBGD Cn1ncc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1N 754524318 IPAYRRNWASVJOQ-UHFFFAOYSA-N 323.334 -0.318 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ncc(C(C)C)s1 756154861 IXNPOGRPVHJSED-UHFFFAOYSA-N 300.340 -0.001 50 20 DBGD COCc1nc2n(n1)C[C@H](NC(=O)NNc1ncccn1)CC2 757788398 OQXFGVCFSRBJMF-SECBINFHSA-N 318.341 -0.144 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H](C)S(C)(=O)=O)nc1 759728306 AYUHPQXJVHHXEF-SSDOTTSWSA-N 301.324 -0.256 50 20 DBGD COCCN1CCN(C(=O)NNC(=O)C(C)(C)C)CC1=O 768725152 ZOGWGZLQOYHOCL-UHFFFAOYSA-N 300.359 -0.436 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O 768762793 XUKAHPSRLBAWLE-BXKDBHETSA-N 322.321 -0.332 50 20 DBGD CC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777589313 RUIDGVYNGXCXBG-VIFPVBQESA-N 310.379 -0.281 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCc1nnn(C)n1 787439568 ASHWYUMNDDNYTD-UHFFFAOYSA-N 319.325 -0.708 50 20 DBGD COC[C@@H](NCC(=O)NNC(=O)C(C)(C)C)[C@@H]1CCCO1 789381688 GROBJFVHDBAHRE-MNOVXSKESA-N 301.387 -0.037 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CC(c3cccnc3)=NO2)nc1O 792215923 MVUICBVVSVNSLJ-SNVBAGLBSA-N 315.293 -0.083 50 20 DBGD Cn1nnc(Br)c1C(=O)NNC(=O)NCC1CC1 813424741 WEEWJDSQJSUVIY-UHFFFAOYSA-N 317.147 -0.068 50 20 DBGD CC(C)NC(=O)NNC(=O)c1c(Br)nnn1C 813427807 MDMCHIIZFFJAGW-UHFFFAOYSA-N 305.136 -0.070 50 20 DBGD Cn1nncc1NNC(=O)Cn1c(=O)n(C)c2ccccc21 816768756 FPOQKVGFZCXEDP-UHFFFAOYSA-N 301.310 -0.388 50 20 DBGD CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)N1CCOCC1 817351260 VLCHBEBUJIHZRJ-NSHDSACASA-N 323.415 -0.076 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[nH]n2)s1 823273609 SBKZESJMSKJIMD-LURJTMIESA-N 324.322 -0.895 50 20 DBGD CCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(C)C 826863541 ZWUPZSFSBAPPPT-VWYCJHECSA-N 314.386 -0.098 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CCO1 827287688 GJMJQFFITISTDE-GARJFASQSA-N 301.343 -0.501 50 20 DBGD O=C(NNC(=O)C1SCCCS1)C(=O)N1CCCC1 841388488 WUQVGYNHHSLAFS-UHFFFAOYSA-N 303.409 -0.048 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC(=O)NCC(F)(F)F 843977479 GNENZJJZVRTFEH-NKWVEPMBSA-N 311.260 -0.373 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 847284331 FKEOYFMGHYLMPP-BDAKNGLRSA-N 305.290 -0.312 50 20 DBGD COC[C@@H](OC)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 850202393 WWPDKQGWRYDUSJ-NXEZZACHSA-N 304.343 -0.227 50 20 DBGD O=C(NNC(=O)c1ccc(N2CCCC2)nn1)c1cn[nH]c1 862472430 ZRXHFPQTJMFRKM-UHFFFAOYSA-N 301.310 -0.125 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1csc(NC2CC2)n1 863464562 PVQJWMIFAJLKGM-UHFFFAOYSA-N 318.380 -0.477 50 20 DBGD Cc1sc(Cl)nc1C(=O)NNC(=O)CS(C)(=O)=O 863465018 PSOGKRJVXMLGJG-UHFFFAOYSA-N 311.772 -0.089 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 913185604 ZAKGWGUNUDGNOY-QMMMGPOBSA-N 307.372 -0.034 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)NCC#CCO)cc1 923784839 MNPRCJJVXHVOQY-UHFFFAOYSA-N 305.334 -0.046 50 20 DBGD O=C1CN(CC(=O)NNC(=O)C2CC2)[C@H](c2ccccc2)CN1 933324731 CHFSSYNGOSZOPL-ZDUSSCGKSA-N 316.361 -0.283 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)NC1CCCCC1 1115812498 QBHWRAGBLCUHLL-SECBINFHSA-N 311.342 -0.362 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc2c(c1)C(=O)OC2 1117516734 QISSZZXRACLPHV-UHFFFAOYSA-N 303.274 -0.147 50 20 DBGD C[C@@H]1CCCN(C(=O)CCNC(=O)c2cccc(B(O)O)c2)C1 1124081778 AKUYKGDXJNGBMZ-GFCCVEGCSA-N 318.182 -0.255 50 20 DBGD COc1ccccc1NC(=O)C(=O)NNC(=O)c1cnn(C)c1 1320521177 PRKZVHYRUWZQIK-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD O=C(NN=C1CCS(=O)(=O)CC1)N[C@H]1CCS(=O)(=O)C1 1324473040 BWTMGSKHWWQLMQ-VIFPVBQESA-N 323.396 -0.963 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)NCC(F)(F)F)CC2 1326074090 GHOHKHAZANVOOO-ZCFIWIBFSA-N 320.275 -0.187 50 20 DBGD O=C(NCCCOC[C@H]1CCOC1)NNC(=O)c1cn[nH]c1 1328699589 IIDMCDBVTGLXES-SNVBAGLBSA-N 311.342 -0.203 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)OCC(F)(F)F 1330967182 ZHDDTSMQHQYGNA-RXMQYKEDSA-N 304.246 -0.117 50 20 DBGD CCN1CCO[C@H](C(=O)NNc2nncc(N)c2Cl)C1 1333507219 FVRYQKPWFCTQHE-QMMMGPOBSA-N 300.750 -0.124 50 20 DBGD Cn1ccc(CCNC(=O)NNC(=O)Cc2cccnc2)n1 1337861716 SWFZAKVSXVPXOK-UHFFFAOYSA-N 302.338 -0.069 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@H](C)c2nnnn2C)n1 1341937483 ZJMPRRFLSVNJDS-SSDOTTSWSA-N 307.318 -0.296 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1nncc(N)c1Cl 1346438041 WXZHUIWBTYJFLR-VXNVDRBHSA-N 311.777 -0.456 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CSCN2)C[C@H](C)O1 1576800346 IPFCWBUZYPHMJT-DCAQKATOSA-N 316.427 -0.704 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CNc3ccccc3C2)nn1 1579953018 DDLVVURLAWOFQY-SNVBAGLBSA-N 315.337 -0.204 50 20 DBGD Cn1cccc1C(=O)NNC(=O)C1=NO[C@@]2(CCCNC2)C1 1579973998 HFVHTUAHCFEENU-AWEZNQCLSA-N 305.338 -0.315 50 20 DBGD CC1(C)C[C@@]1(C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1589219317 MFWVLTXXKAQPIJ-AWEZNQCLSA-N 320.305 -0.332 50 20 DBGD CS(=O)(=O)SCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591680075 QYTKKZWCZTUQMP-UHFFFAOYSA-N 316.368 -0.383 50 20 DBGD COC[C@]1(C(=O)O)CCCCN1CC(=O)NNC(=O)C1CC1 1599187726 IFGPKUUDLAWKAR-AWEZNQCLSA-N 313.354 -0.501 50 20 DBGD COc1cc2c(cc1CNC(=O)NNC(=O)C(=O)O)O[C@H](C)C2 1607191087 ASPZVMBBUVAVDJ-SSDOTTSWSA-N 323.305 -0.066 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(N2CCCC2)nn1 186144105 VUHQTLNRHJRXBO-UHFFFAOYSA-N 315.337 -0.196 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)c2cccc(N(C)C)c2)C1 190890779 UAOYQBPRZQRJDK-UHFFFAOYSA-N 304.350 -0.008 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C)ccc1C 272457995 NTQQDCRSCOEMOH-UHFFFAOYSA-N 315.351 -0.031 50 20 DBGD CSCCNC(=S)NNC(=O)COCc1ccnn1C 285751431 UTXOSJJCEPWUAT-UHFFFAOYSA-N 317.440 -0.205 50 20 DBGD CC(C)[C@@H](C(=O)NNc1nnc[nH]1)N1CCCS1(=O)=O 293819918 FSPDJFRGCKYUMX-QMMMGPOBSA-N 302.360 -0.692 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOCC(F)(F)C1 584992767 NRKXTTRXCCZGMA-UHFFFAOYSA-N 303.045 -0.387 50 20 DBGD C[C@H]1NC(=O)CC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 585002293 SLWXJCYNZYEPKI-PSASIEDQSA-N 308.118 -0.850 50 20 DBGD CS(=O)(=O)Cc1ccc(CNCc2ccc(B(O)O)o2)cc1 585033024 UXAIMHWOMSNCAX-UHFFFAOYSA-N 323.179 -0.206 50 20 DBGD O=C(NCB(O)O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 585055706 HSJOIPLKBMLVIC-UHFFFAOYSA-N 317.559 -0.226 50 20 DBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)Cc1cc[nH]n1 755287307 XZIAUIFXBHVGML-UHFFFAOYSA-N 307.354 -0.204 50 20 DBGD CC(C)C(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 755404785 BYIZUJFLDSLFNK-UHFFFAOYSA-N 303.340 -0.053 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1CCCCC1 758040879 STPSHYXTLMERFC-SECBINFHSA-N 321.399 -0.579 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC(=O)N[C@H]2CCCC[C@@H]21 758775494 VNAMJKFVLCMXSE-QWRGUYRKSA-N 310.398 -0.077 50 20 DBGD CCC(C)(C)N[C@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 771937947 HMCNYYDQBXXHFW-NXEZZACHSA-N 319.427 -0.265 50 20 DBGD CC1(C)C(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777586882 SBSITAYYFMQRCY-UHFFFAOYSA-N 310.379 -0.281 50 20 DBGD CN(NC(=O)c1sccc1S(=O)(=O)N(C)C)C(N)=O 778412177 KXWCEOJOUUUDLA-UHFFFAOYSA-N 306.369 -0.346 50 20 DBGD Cc1oc(C(=O)NN(C)C(N)=O)cc1S(=O)(=O)N(C)C 778416603 FNAGQEHKMSMRGB-UHFFFAOYSA-N 304.328 -0.506 50 20 DBGD CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)N1CCOCC1 783573491 HBWVJRFBKUCQRG-NSHDSACASA-N 300.359 -0.390 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)cn2ccnc12 815569571 YXARVFJEMKVAQO-UHFFFAOYSA-N 318.337 -0.710 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc3nn[nH]c23)CC1 854378778 BMQUHOXUDFKOHI-UHFFFAOYSA-N 303.326 -0.440 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1cc[nH]n1 855359219 JZZMWOYWLKQLIW-IYSWYEEDSA-N 319.243 -0.372 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)c1cc[nH]n1 855359397 QIKDWCYBQWYPQY-SNVBAGLBSA-N 301.310 -0.370 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 858124596 MUYSUJBJEBVADE-OLZOCXBDSA-N 321.333 -0.256 50 20 DBGD Cc1ccn(C[C@@H](C)C(=O)NNC(=O)C(=O)N2CCCC2)n1 865071176 QPRHBQMBNGGYIF-SNVBAGLBSA-N 307.354 -0.403 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN2C)C[C@@H](C)O1 895511948 ZJORLDBERCFOAL-JHJVBQTASA-N 312.414 -0.273 50 20 DBGD CC1(C)CNC(=O)[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1 931660609 JNXSTEYYCOBOPQ-GFCCVEGCSA-N 322.340 -0.299 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc(Cl)nc2)N1 1118798705 HHJVDRUYKUWRKP-MRVPVSSYSA-N 311.729 -0.156 50 20 DBGD COCCn1cc(C(=O)NNc2cc(Cl)nc(N)n2)nn1 1118834819 DPZVUMVERVACRE-UHFFFAOYSA-N 312.721 -0.293 50 20 DBGD Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 1252032900 UADFIGWOBWMGQC-SSDOTTSWSA-N 308.342 -0.601 50 20 DBGD CCOCCO[C@@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1253273182 QUFJEKOGBSLBQS-QMMMGPOBSA-N 324.341 -0.046 50 20 DBGD NC(=O)C(=O)NN=Cc1cnc2cnc(Br)cn12 1318994028 OUXDHUDMEUTHMM-UHFFFAOYSA-N 311.099 -0.573 50 20 DBGD O=C(NNC(=O)c1ccc2nnc(S)n2c1)C(=O)NC1CC1 1321357672 RHZDRYOSTDYHQF-UHFFFAOYSA-N 320.334 -0.942 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccn(CCOC)n1 1321673012 UQDDBSLKQSGENI-UHFFFAOYSA-N 312.330 -0.840 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC(C)(C)CN1CCCC1 1321838238 KNYWLQOCENAAOC-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 1325506451 PEZPFYDZZXZWHO-UHFFFAOYSA-N 310.285 -0.334 50 20 DBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1C 1325519093 CYUPIELPAOTYMT-UHFFFAOYSA-N 323.305 -0.750 50 20 DBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1cccnn1 1337680039 UGTQNLSWQXSRJE-UHFFFAOYSA-N 323.334 -0.111 50 20 DBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cnn[nH]1 1338561509 LUUSXNCGWDOIOY-UHFFFAOYSA-N 316.325 -0.728 50 20 DBGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1345812993 QTVSWBJVHFPCEF-UWVGGRQHSA-N 323.353 -0.025 50 20 DBGD Cc1[nH]nc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1O 1347528724 MNTKNGHXPJKKIS-MRVPVSSYSA-N 302.356 -0.470 50 20 DBGD CN(C)N(C(=O)[C@@H]1[C@H]2CCCO[C@H]21)[C@H]1CCS(=O)(=O)C1 1355818448 JTHTYIXABJQLCB-IRCOFANPSA-N 302.396 -0.096 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)COCC(=O)O)c1 1594176283 RHGBEAJCNIGUDG-UHFFFAOYSA-N 302.308 -0.366 50 20 DBGD CCOC[C@H](C(=O)O)N(C)C(=O)c1cc(B(O)O)ccc1F 1605620115 CGJDBHKNINYCBW-LLVKDONJSA-N 313.090 -0.933 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc(C(=O)O)o2)N1 1609036141 VNUNAGAPTXIGQP-ZETCQYMHSA-N 310.266 -0.913 50 20 DBGD O=C(NNC(=O)c1ccc[nH]1)c1ccc(-c2nn[nH]n2)c(O)c1 1609558328 BMXIDMBXSNUFEC-UHFFFAOYSA-N 313.277 -0.025 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)[C@H]1CC(=O)N(Cc2ccco2)C1 32261316 YHXSHXAKUOTGTH-JQWIXIFHSA-N 321.333 -0.046 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 106417918 DIUZAUIMBHCUIO-JTQLQIEISA-N 319.365 -0.109 50 20 DBGD Cn1/c(=N/NC(=O)[C@@H](CO)NC(N)=O)sc2ccccc21 136286861 AHVXILSMMZURRN-UOHXUYJESA-N 309.351 -0.799 50 20 DBGD CC(=O)N1CC(C(=O)NNc2nc3ccccc3c(=O)n2C)C1 191849041 GGTLWMOIAZPASU-UHFFFAOYSA-N 315.333 -0.145 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1cnc(-c2ccccc2)n1 192913321 ABENIHCHAVTZMA-UHFFFAOYSA-N 303.322 -0.137 50 20 DBGD COCCCNC(=O)NNC(=O)CCC(=O)c1cnn(C)c1 280621511 PMZVKCUPXJSEGQ-UHFFFAOYSA-N 311.342 -0.250 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNc2ncccn2)nn1 287747142 IFZWIOOUSLZRQA-UHFFFAOYSA-N 306.286 -0.819 50 20 DBGD CN1CCC[C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@@H]21 584962437 FZTBDQOXGMNSEO-HIFRSBDPSA-N 302.183 -0.077 50 20 DBGD CCN1CCN(CCCNCc2ccc(B(O)O)cc2F)CC1 585032373 GFYQQIRSRVVMBB-UHFFFAOYSA-N 323.221 -0.377 50 20 DBGD OC[C@H](CNCc1ccccc1B(O)O)CC1CCOCC1 585039327 SHMPCNLFGVNMMV-AWEZNQCLSA-N 307.199 -0.119 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CN1 751206109 CIOIEOSJZMZIHW-QMMMGPOBSA-N 324.362 -0.849 50 20 DBGD CNC(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 753429839 HXRXOGPXXFRHJH-UHFFFAOYSA-N 319.365 -0.595 50 20 DBGD CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)CO)C1 753445094 FRVZVNNWXVXODG-JTQLQIEISA-N 300.359 -0.796 50 20 DBGD COCC(=O)NN[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 754001248 HIRDXDAUKBYAGF-GFCCVEGCSA-N 310.306 -0.046 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cn1 764345867 ZKAORXSWJDZGPY-UHFFFAOYSA-N 302.294 -0.994 50 20 DBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)Cc1cccnc1 765678473 TVRGQFUJWNUPMC-RYUDHWBXSA-N 319.365 -0.131 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnc(C)nc2N)n1 769469437 WUROZQCSTLOHRD-UHFFFAOYSA-N 303.326 -0.358 50 20 DBGD Cn1c(NNC(=O)C2(O)CCOCC2)nc2ccccc2c1=O 772992043 RBQIHBJEXMXXBI-UHFFFAOYSA-N 318.333 -0.082 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cnc(N2CCCC2)nc1 779824028 WJFCRWGTEGUMTO-UHFFFAOYSA-N 306.326 -0.117 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2CCN(C)C(=O)C2)c1 780997146 IHWXROFSJWVPIY-UHFFFAOYSA-N 320.349 -0.310 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)NCC1CC1 792085664 RLYSEMBYUWLVHR-OAHLLOKOSA-N 322.365 -0.352 50 20 DBGD CNC(=O)NNC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 793174246 BMJKXHHRNSHNFD-UHFFFAOYSA-N 314.367 -0.560 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(N)=O)C2)n1 794089120 AVHVQYGDNIKFDH-JTQLQIEISA-N 305.338 -0.058 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)NCC(F)(F)F 798315605 LYOQNRONISTVBF-MRVPVSSYSA-N 312.292 -0.153 50 20 DBGD CCn1c(NNC(=O)COCC(=O)O)nc2ccccc2c1=O 844245108 ZXHGCGHWCALQNJ-UHFFFAOYSA-N 320.305 -0.039 50 20 DBGD COc1ccnc(NNC(=O)Cn2nc3n(c2=O)CCCC3)n1 845181029 DHAFVIYVTDZPSZ-UHFFFAOYSA-N 319.325 -0.677 50 20 DBGD CC1=C(C(=O)NNC(=O)NC(C)C)[C@@H](C)n2nnnc2N1C 847401762 PRIKEBKNPGEKPE-MRVPVSSYSA-N 308.346 -0.303 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(O)nc(C3CC3)n2)cn1 847505720 CTGQQNBIUQTSTL-UHFFFAOYSA-N 302.294 -0.132 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CSc1n[nH]c(O)n1)C1CC1 855099855 PJLFDUGQIFDUSF-RXMQYKEDSA-N 316.412 -0.104 50 20 DBGD Cn1nncc1NNC(=O)CCCS(=O)(=O)N1CCCC1 857271625 SMHVJCJXLOUYJM-UHFFFAOYSA-N 316.387 -0.536 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1Cl 862463173 ZJBIWJWBZJHTLH-SSDOTTSWSA-N 307.697 -0.354 50 20 DBGD Cc1csc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 862476282 OGOKIFINNVJXME-SSDOTTSWSA-N 305.381 -0.245 50 20 DBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(O)c1 863459418 SCOKKMLXXHWMCQ-UHFFFAOYSA-N 302.308 -0.794 50 20 DBGD O=C(NC[C@H]1CCCN1CC(F)F)c1cccc(B(O)O)c1 863887806 WFPBRCQSEMKZMG-GFCCVEGCSA-N 312.125 -0.174 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1ccc2c(c1)CCO2 869911641 AVCDIDMCRQBZFY-UHFFFAOYSA-N 308.334 -0.026 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)N(C)C)C[C@@H](C)O1 877999078 NIZKMRZXFZOUPG-TUAOUCFPSA-N 300.403 -0.417 50 20 DBGD Cn1nnnc1SCCC(=O)NNC(=O)CC(F)(F)F 921203445 KRSKZYUOJGOBIK-UHFFFAOYSA-N 312.277 -0.208 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)OC(C)(C)C)nn1 1251359416 IEMMAKPQPZLCGR-UHFFFAOYSA-N 312.330 -0.464 50 20 DBGD CC(C)C(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 1252741232 UHSYICFXXQPENN-UHFFFAOYSA-N 303.340 -0.254 50 20 DBGD O=C(NC[C@H]1CCCNC1=O)NNC(=O)c1cccc(F)n1 1261640907 QGPHGLCWCYVECW-MRVPVSSYSA-N 309.301 -0.309 50 20 DBGD CN(C)C(=O)NNC(=O)Cc1ccccc1NS(C)(=O)=O 1318377677 KJXSNERNFCDTAJ-UHFFFAOYSA-N 314.367 -0.097 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(O)cc1O 1323605500 NHEIKFMMESWEPF-ZETCQYMHSA-N 314.319 -0.707 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cn1 1326048756 UUFIJQYYIANIHF-WCBMZHEXSA-N 317.305 -0.536 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NNc1nncc(N)c1Cl 1329036397 IWDRRUYEOQOXAS-MRVPVSSYSA-N 300.750 -0.124 50 20 DBGD O=C(CC1CC1)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1344017344 RCJVYOHEGWRDHM-UHFFFAOYSA-N 308.338 -0.298 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N1CC(N2CCCC2=O)C1 1357235419 XPOAHLMFVVLSHD-UHFFFAOYSA-N 317.349 -0.329 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CC(C(=O)O)=NO2)c1 1574489873 RKAWDLIVRRNYNI-SNVBAGLBSA-N 302.246 -0.451 50 20 DBGD CN(NC(=O)c1cc2cccn2cn1)C(=O)N1CCNCC1 1578506416 MQYLAMFURUGJEB-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCCCC1CCNCC1 1579337189 NHOVXDAXRYGQOT-UHFFFAOYSA-N 319.427 -0.262 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccccc1C(=O)O 1593353017 KOXBWMGZGFBUCO-ZETCQYMHSA-N 301.324 -0.234 50 20 DBGD C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)C(=O)O 1594542451 NSEUAZJDBRSJEL-ZYHUDNBSSA-N 320.349 -0.078 50 20 DBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNc1cccc(F)n1 1601311767 ILQJUPCZQMBLFQ-QMMMGPOBSA-N 310.285 -0.013 50 20 DBGD O=C(NCc1ocnc1C(=O)O)c1cc(B(O)O)ccc1F 1601551460 WFAPIHWMAOARIY-UHFFFAOYSA-N 308.030 -0.878 50 20 DBGD O=C(NNC(=O)c1cscc1-c1nn[nH]n1)c1cnsn1 1606854494 ULAMPLDFCSJDOK-UHFFFAOYSA-N 322.335 -0.146 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1csc(C(=O)O)c1 1776042148 OLKZGTNSUYJGQP-LURJTMIESA-N 319.364 -0.166 50 20 DBGD C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783883962 XHWMLKOZOJAABC-BXUZGUMPSA-N 314.769 -0.297 50 20 DBGD CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784086474 MINHKYROKIZFKP-BJDJZHNGSA-N 318.801 -0.024 50 20 DBGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1846175057 CYUMCUXAEUQJLK-SSDOTTSWSA-N 321.171 -0.716 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 114158626 BZKWSDLIUQISGI-CYBMUJFWSA-N 318.377 -0.142 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCN1CCOCC1 114464462 CAZALXJJFUJWMV-CYBMUJFWSA-N 314.430 -0.168 50 20 DBGD CN1C[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CC1=O 286585210 KBQQTXPGWYEGLE-VIFPVBQESA-N 301.310 -0.416 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN1Cc1ccccn1 373118485 RWQFWZZKNGYFMJ-LBPRGKRZSA-N 306.366 -0.036 50 20 DBGD CC(C)n1cnnc1CCNC(=O)c1cccc(B(O)O)c1 584945009 VATCNXRODJAVDV-UHFFFAOYSA-N 302.143 -0.489 50 20 DBGD C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(B(O)O)cc1 584976385 IYGBKWUQCXBQPR-ZDUSSCGKSA-N 319.214 -0.878 50 20 DBGD O=C1C[C@@H](CNCc2ccc(B(O)O)cc2F)CN1C1CC1 585045797 MFOXXCHBEGDAGB-JTQLQIEISA-N 306.146 -0.394 50 20 DBGD C[C@@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CCCNC1=O 585054786 MHVBPMYIDUWIDF-CQSZACIVSA-N 301.111 -0.416 50 20 DBGD C[C@H](C(=O)NCB(O)O)n1c(S)nnc1-c1cccs1 585060958 MIIWPZBISMYSSO-ZCFIWIBFSA-N 312.185 -0.016 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)COc1ccccc1O 732085694 NTDLZCXHVVQANB-UHFFFAOYSA-N 309.322 -0.165 50 20 DBGD O=C(Cn1cncn1)NNC(=O)c1cnn(-c2ccccc2)c1 733110283 VZAFHHRDWOLRQP-UHFFFAOYSA-N 311.305 -0.075 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)NC(CC)CC 740852559 CAZNRFKYBGPEHE-QMMMGPOBSA-N 300.359 -0.647 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc[nH]n2)cc1 744724939 RZSZHDYTBXHNJN-UHFFFAOYSA-N 313.273 -0.101 50 20 DBGD CCc1cc(CNC(=O)NNC(=O)[C@@H](C)OCCOC)n[nH]1 748633115 QGSRQNQZHPJSIO-SECBINFHSA-N 313.358 -0.146 50 20 DBGD CC(C)C(=O)NNC(=O)C1(C(=O)NNC(=O)C(C)C)CCC1 761801326 MKHXNZGCPPTOST-UHFFFAOYSA-N 312.370 -0.237 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnsn1 764344922 LLZJOCBMRPCXBR-UHFFFAOYSA-N 306.307 -0.876 50 20 DBGD CCN1CCN(CCC(=O)NNc2nccnc2OC)CC1 764470154 VVZSLYPHLFOPFV-UHFFFAOYSA-N 308.386 -0.044 50 20 DBGD CC1CC(C#N)(C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 768244910 VCWMEOIAYQNZGN-UHFFFAOYSA-N 315.333 -0.101 50 20 DBGD CN(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)C(N)=O 768372103 WPERWUCRIXEFIJ-UHFFFAOYSA-N 316.339 -0.702 50 20 DBGD CC(C)(C(N)=O)C(=O)OCC(=O)NNC(=O)c1cccs1 769701341 XADAVLHJHYNHIT-UHFFFAOYSA-N 313.335 -0.436 50 20 DBGD COC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCCCC1 771855373 ZFLWUOTUZLSXID-JTQLQIEISA-N 318.395 -0.082 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cnc(C)s1 779847101 UDKSRDUXBBEINT-UHFFFAOYSA-N 308.341 -0.883 50 20 DBGD CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(O)nn1 790149639 MSJAJRBKINJYGH-SNVBAGLBSA-N 307.354 -0.009 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(S(C)(=O)=O)CCC1 796186726 XAIMXZXXOVQVSW-MRVPVSSYSA-N 320.367 -0.557 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccc(C)cc1)[C@H]1CCNC1=O 799353230 FNCAJZOFVZFWFR-ZDUSSCGKSA-N 318.377 -0.034 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCn2ccccc2=O)CC1 807378580 GDPUUTPDINOCBQ-UHFFFAOYSA-N 307.354 -0.773 50 20 DBGD CCCN1CC[C@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)C1 823050006 WRCBVYVTOVFPEF-NEPJUHHUSA-N 316.402 -0.147 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C)(C)NC(=O)O 833438573 KMXDPKNQQRTDTI-UHFFFAOYSA-N 318.330 -0.295 50 20 DBGD C=C[C@H](CO)NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 852714481 RKMZAZLAOJBHHS-LLVKDONJSA-N 323.349 -0.399 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)C1(n2cnnn2)CC1 854448425 GTTZRGBDTUPZFM-UHFFFAOYSA-N 312.297 -0.719 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNC(=S)NCC1CCC1 855090406 FIGWZLBWTQXVBA-UHFFFAOYSA-N 322.456 -0.437 50 20 DBGD CC(C)OCCCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694905 AUIZVVMFKAYCMK-JTQLQIEISA-N 300.359 -0.247 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862461556 QFUUPHQIAKVUKK-ABAIWWIYSA-N 305.334 -0.290 50 20 DBGD C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 863460627 FNQPZXGCFACCLS-AEJSXWLSSA-N 305.400 -0.560 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CN1 915684834 GYBKQOGFMNVLKJ-BXKDBHETSA-N 319.317 -0.500 50 20 DBGD COc1cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 1118798613 FPRARXUDKQJXNC-SECBINFHSA-N 307.310 -0.801 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccnc(OC(F)F)c1 1323316062 KVGZUJIKBRLILH-UHFFFAOYSA-N 318.236 -0.314 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cncn2)c1 1323634858 DKDDOFPMZCRZIK-UHFFFAOYSA-N 323.334 -0.857 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)C(=O)NC2CC2)cc1 1324648590 MTKMEORQWZJEOS-UHFFFAOYSA-N 310.335 -0.937 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc[nH]c2nccc1-2 1328086052 JAQSAHXTKKQVOT-SSDOTTSWSA-N 323.334 -0.895 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCNC(=O)c1ccc(C)cc1 1330487210 CKLRQJMKZWLMDI-UHFFFAOYSA-N 322.321 -0.772 50 20 DBGD O=C(NNC(=O)c1ccc2nonc2c1)C(=O)N1CCCC1 1349535781 QKJXIQVOUZPFDE-UHFFFAOYSA-N 303.278 -0.394 50 20 DBGD O=C(NNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cn[nH]c1 1351352253 ISFUFFITAZSTTC-SECBINFHSA-N 308.298 -0.709 50 20 DBGD Cn1cc([C@@H](O)C(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1 1592568255 YWHABFBUIGUTSR-LLVKDONJSA-N 314.309 -0.223 50 20 DBGD COc1cc(C(=O)O)ccc1NNC(=O)[C@H]1CN(C)C(=O)N1 1599376621 XPXNAGPDRDVWLA-SECBINFHSA-N 308.294 -0.140 50 20 DBGD C[C@H](C(=O)NN(C)c1ccccn1)n1cnc(-c2nn[nH]n2)n1 1603019754 PLKIXRUZKGRXGJ-MRVPVSSYSA-N 314.313 -0.418 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1604670938 NVYWRLQCLLVTJJ-UHFFFAOYSA-N 311.327 -0.669 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)cn1 1608110507 SWNGTPVUKLEAJC-KBFMPZLNSA-N 314.305 -0.138 50 20 DBGD COCC(=O)NN=C1CCCc2c1cnc(O)c2-c1nn[nH]n1 1609316372 VZQIRXHGUCHPEQ-UHFFFAOYSA-N 317.309 -0.230 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1COc2ccccc2C1 47094690 LIEXEAPUUARSOM-LLVKDONJSA-N 318.333 -0.401 50 20 DBGD CN1CCO[C@H](C(=O)NNc2nc(-c3ccncc3)no2)C1 81318406 OKHZXQAMMMCBMV-JTQLQIEISA-N 304.310 -0.095 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)Cc2ccn(C)n2)C[C@@H](C)O1 180776142 GZMWKNDBDJHBBR-TXEJJXNPSA-N 323.397 -0.391 50 20 DBGD COC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 274291370 MNSFHDDQNNQVIF-LURJTMIESA-N 307.353 -0.198 50 20 DBGD C[C@H]1OCCN[C@@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 284499818 IASASWQGQXODTG-SKDRFNHKSA-N 317.349 -0.247 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)Cc1ccccc1OC 294827782 VZSORBOVLRLAPV-UHFFFAOYSA-N 308.338 -0.296 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 299064292 VPOUOQADVBTQAQ-SNVBAGLBSA-N 314.319 -0.982 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNc2cccnn2)C1 496569337 IFIBPRHHHZBDAK-UHFFFAOYSA-N 309.326 -0.099 50 20 DBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584958732 RWUPYJUJXYGFKQ-XPTSAGLGSA-N 306.146 -0.282 50 20 DBGD O=C(NCCSCCCO)c1ccc(B(O)O)c(F)c1 584961934 BZDMHRSHOIVNQA-UHFFFAOYSA-N 301.148 -0.649 50 20 DBGD C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584976037 PNLUAAFEUFKJOV-GXSJLCMTSA-N 311.118 -0.883 50 20 DBGD OB(O)c1ccc(CNCc2cnc(N3CCOCC3)s2)o1 585038434 FBJBDBGPMQGWPC-UHFFFAOYSA-N 323.183 -0.458 50 20 DBGD O=C(/C=C/c1ccco1)NCCC(=O)N1CC[C@H](B(O)O)C1 585078365 XZPNQNAWPUAKRT-UFFNRZRYSA-N 306.127 -0.126 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 728436007 CAZSBPJSTUGBRF-MRVPVSSYSA-N 314.323 -0.017 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1C[C@@H]1C(=O)O 739360455 FHVZYBOFUQNXNM-IUCAKERBSA-N 302.290 -0.096 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)N1CCCCC1 742031602 CHKTVPQMIZFAEA-UHFFFAOYSA-N 320.415 -0.357 50 20 DBGD O=C(CCNC(=O)c1cccs1)NNC(=O)C(=O)NC1CC1 744463793 PEAPEGVXIUPKAG-UHFFFAOYSA-N 324.362 -0.706 50 20 DBGD CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 749590735 NQFBEBZASJOHAF-GHMZBOCLSA-N 311.386 -0.532 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@@H](C)S(C)(=O)=O)n1 754128370 DPKCQSGNHBXZSU-MRVPVSSYSA-N 317.371 -0.147 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(C(N)=O)c1 755700328 WSBLLYCENQKEJS-QMMMGPOBSA-N 312.351 -0.827 50 20 DBGD COCC(=O)NNC(=O)Nc1cccc(N2C(=O)CNC2=O)c1 761860888 DCDJQDCWNOJUER-UHFFFAOYSA-N 321.293 -0.458 50 20 DBGD COc1cccc([C@H](O)C(=O)NNC(=O)c2cnn(C)c2)c1 765052263 UZCDIZUBDOFYAB-LBPRGKRZSA-N 304.306 -0.077 50 20 DBGD COC(=O)C[C@]1(NCC(=O)NNC(=O)C(C)(C)C)CCOC1 767034373 XJZGSMWLZUIPCB-CQSZACIVSA-N 315.370 -0.508 50 20 DBGD CCS(=O)(=O)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772041360 KHQQXJUSRAETBH-VIFPVBQESA-N 322.383 -0.454 50 20 DBGD CC1(C)Cc2cccc(NC(=O)C(=O)NNC(=O)CO)c2O1 789585830 HMQHWNSQAVIZAJ-UHFFFAOYSA-N 307.306 -0.522 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)COC(F)F)C[C@H](C)O1 806341072 YZHYGLVTXKCRTC-IUCAKERBSA-N 309.313 -0.128 50 20 DBGD CC[C@@]1(C)NC(=O)N(NS(=O)(=O)CBr)C1=O 808310683 VNVXESGTNNUPOH-SSDOTTSWSA-N 314.161 -0.106 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C[C@@H](C)O1 827273193 FQPSHHZANWVRLU-WISYIIOYSA-N 315.370 -0.112 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](CC(C)C)C(N)=O)n1 839469385 HQZRVPPOVWPMBG-NSHDSACASA-N 309.370 -0.205 50 20 DBGD CCC[C@H](C(=O)OCC)S(=O)(=O)NNC(=O)c1cc[nH]n1 849311011 YYBHUFXVZXCVDN-SECBINFHSA-N 318.355 -0.294 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)NC1CCCCC1 854192595 RDAJGDXCGBHMAO-SECBINFHSA-N 320.415 -0.023 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 854388767 XJMVZDSWTFKVRF-BDAKNGLRSA-N 301.343 -0.566 50 20 DBGD O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1CCC(=O)N1 862456041 LWMMQJAIEHNRLZ-SNVBAGLBSA-N 306.278 -0.437 50 20 DBGD O=C(CCC(=O)NC1CCCC1)NNC(=O)[C@H]1CCC(=O)N1 862457857 SCGCYWBKYPHZLE-SNVBAGLBSA-N 310.354 -0.749 50 20 DBGD CCC[C@H](OCC)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 863865567 GJMHYOIENJYAKZ-BDAKNGLRSA-N 309.388 -0.723 50 20 DBGD O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 863877928 IVZNOAFPMFCNOC-KGLIPLIRSA-N 317.150 -0.423 50 20 DBGD COc1cccc(C(=O)NNC(=O)CN2CCCNC2=O)c1O 919755773 DIKLORNHBRWSMR-UHFFFAOYSA-N 322.321 -0.423 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2CCNC(=O)C2)C[C@H]1Br 1118819141 COGJUOHEOOROAL-RDDDGLTNSA-N 318.171 -0.766 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1SCCC(N)=O 1320349054 PTPFHJIAYBYWAT-UHFFFAOYSA-N 324.362 -0.240 50 20 DBGD CNC(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 1324502246 KTQDSGJNLUBCJD-KHQFGBGNSA-N 315.399 -0.328 50 20 DBGD CN(C)c1ncc(C=NNC(=O)C(=O)Nc2ccccn2)n1C 1324648010 HTFLQEHQMMBPHH-UHFFFAOYSA-N 315.337 -0.030 50 20 DBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cn1 1337962098 ZHWPPVBLXVTSJR-UHFFFAOYSA-N 322.321 -0.397 50 20 DBGD C[C@@]1(NNC(=O)NC[C@@H]2CCCCCN2)CCS(=O)(=O)C1 1346701512 QQUIHFPQFHCAFA-WCQYABFASA-N 318.443 -0.100 50 20 DBGD C[C@@]1(CNC(=O)C(=O)NCCCON)C[C@@H]1Br 1353160456 UKUODPLGWLGKBW-XVKPBYJWSA-N 308.176 -0.327 50 20 DBGD C[C@@H]1Cn2nc(C(=O)NNC(=O)NCC(F)(F)F)cc2CN1 1576872812 ZMZXSJRZUZNMCU-ZCFIWIBFSA-N 320.275 -0.119 50 20 DBGD COc1ccnc(NNC(=O)[C@@H]2CCCN(CCN)C2=O)n1 1579317377 SBFAPWHHCKSANO-VIFPVBQESA-N 308.342 -0.874 50 20 DBGD CCOCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1 1596966821 ZMHWULBRTAQAKR-UHFFFAOYSA-N 309.278 -0.606 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2ccc(C(=O)O)cc2)nn1 1600931700 CDGFNACOPIJERV-UHFFFAOYSA-N 303.278 -0.483 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)nn1 1600931905 HFCGWARZXZNUEI-HLFFCZDVSA-N 319.321 -0.511 50 20 DBGD Cn1nncc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606286361 NIJRZCAMTRNSCL-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD Cn1cc(C(N)=O)cc1C(=O)NNc1ccc(C(=O)O)cn1 1610600891 AZTVGNBOGMMDQD-UHFFFAOYSA-N 303.278 -0.026 50 20 DBGD CCCNC(=O)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 49279641 PVAPXFIWNVNHTN-QMMMGPOBSA-N 309.413 -0.353 50 20 DBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)N1CCN(C)CC1 278506834 AMBCJZUVVKJVGU-JTQLQIEISA-N 323.353 -0.614 50 20 DBGD CC[C@@H](NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)OC 279674581 DSKUOWBIBNZFIB-LLVKDONJSA-N 304.310 -0.152 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnnn2C)C[C@@H](C)O1 282101206 WALIIUVNJFBROZ-AOOOYVTPSA-N 310.358 -0.925 50 20 DBGD C#C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C 282132704 GLKZOUCIPFUWOA-SNVBAGLBSA-N 306.322 -0.002 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 299064287 VPOUOQADVBTQAQ-JTQLQIEISA-N 314.319 -0.982 50 20 DBGD CN(C)CCOC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584943969 IAIRFUBQZWPKJV-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD CS[C@H](CO)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584963360 SDHJJWFKBKUOBL-WRWORJQWSA-N 301.148 -0.652 50 20 DBGD CCc1nn(C)c(OC)c1CNC(=O)c1cccc(B(O)O)c1 584969047 AHDLOIZLEUBAOD-UHFFFAOYSA-N 317.154 -0.399 50 20 DBGD O=C1CN(C(=O)c2cc(B(O)O)ccc2F)CN1CC1CC1 584983536 OUXYSVUEJOFSDM-UHFFFAOYSA-N 306.102 -0.843 50 20 DBGD O=C(N[C@@H]1C[C@@H]2CCCCN2C1)c1ccc(B(O)O)c(F)c1 584998030 NWUCOIYDAJFNAI-NEPJUHHUSA-N 306.146 -0.138 50 20 DBGD CN1CCC[C@@H](CCNC(=O)c2cc(B(O)O)ccc2F)C1 584998966 UECYIELJHBQVHW-NSHDSACASA-N 308.162 -0.033 50 20 DBGD CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(B(O)O)c(F)c1 585000014 IONZZWRNSDMFTM-LLVKDONJSA-N 322.145 -0.365 50 20 DBGD CO[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCOC1 585008202 LWAWMIYNAHVSSP-GWCFXTLKSA-N 311.118 -0.713 50 20 DBGD C[C@H](NCc1ccc(B(O)O)o1)[C@H](O)c1ccc2c(c1)OCO2 585039854 ZBEWHYONDFJAOD-VFZGTOFNSA-N 319.122 -0.100 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 736310363 YDSJVTVNVNGYIB-UHFFFAOYSA-N 314.302 -0.275 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cnn(-c2cccnc2)c1 759765824 DXKPIVDYQNIZPM-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD O=C(CN1CC[C@@H](NC(=O)NC2CC2)C1)NNC(=O)C1CC1 760896435 JQMZMQVNHFILOC-LLVKDONJSA-N 309.370 -0.920 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNc2ncc(F)cn2)C1=O 760904944 BTHNTVSXHOSZQZ-UHFFFAOYSA-N 310.289 -0.267 50 20 DBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccccc1F 763336894 RMVLNZPEQWAUAI-CYBMUJFWSA-N 306.341 -0.023 50 20 DBGD CCN1CCc2ccc(NC(=O)C(=O)NNC(=O)CO)cc21 764428617 IKHMQWQKEFCVLG-UHFFFAOYSA-N 306.322 -0.853 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C(C)(C)C(N)=O)cc1 769675966 HUDFNOGRNGFMQI-UHFFFAOYSA-N 321.333 -0.189 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cnn(C(C)C)c1 779846904 PEQSHHMTLFOQHI-UHFFFAOYSA-N 319.343 -0.871 50 20 DBGD CC(=NNC(=O)N1CCN(C)CC1)c1cc(C(N)=O)n(C)c1 790173580 IVZOZYUQMBFQAK-UHFFFAOYSA-N 306.370 -0.195 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1cc(C)ncn1 810407655 JYOBXXLNAWBFPC-UHFFFAOYSA-N 317.371 -0.816 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc[nH]1 844370530 IKKXWXFFQTUPEB-SECBINFHSA-N 300.340 -0.800 50 20 DBGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)CC1CC1 854667604 NBFNWUOIYANXNS-UHFFFAOYSA-N 303.365 -0.043 50 20 DBGD C[C@H](C(=O)NNC(=O)OCC(F)(F)F)N1CCN(C)CC1 856023687 SBJVNCHZLPAVKG-MRVPVSSYSA-N 312.292 -0.058 50 20 DBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNc1ccc(C(N)=O)nn1 857150027 KNWGQBFRXRHSPL-NSHDSACASA-N 322.369 -0.041 50 20 DBGD Cc1ccn2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c2c1 862458040 WHWZJQITPQEQJP-JTQLQIEISA-N 301.306 -0.318 50 20 DBGD C/C=C\C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCC 863879478 UFEAWQGMERNARE-DXTPNHAXSA-N 305.139 -0.006 50 20 DBGD CC(=O)Nc1nc(C(=O)NNc2nccn(C)c2=O)cs1 1252518705 NLLQORVDAUBFNA-UHFFFAOYSA-N 308.323 -0.048 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 1318878461 ZJFMJCOVZKILBI-RKDXNWHRSA-N 314.342 -0.863 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccccc1Cn1cncn1 1320260921 OVXHSABNGROIDI-UHFFFAOYSA-N 318.293 -0.348 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)n1 1320595822 FBNAPDAYIOTXTB-VIFPVBQESA-N 323.353 -0.024 50 20 DBGD CC(C)c1cnc(NC(=O)C(=O)NNC(=O)CCO)s1 1320729279 JTAVXISOBWJLBB-UHFFFAOYSA-N 300.340 -0.265 50 20 DBGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CCSC1 1321052897 FNXKGRLDKSTXHL-MRVPVSSYSA-N 309.351 -0.144 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 1321338059 FNPCXEPINXYVQG-UHFFFAOYSA-N 322.277 -0.633 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1F 1324362430 PDZKUUOFVJIZQV-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD O=C(CCCS(=O)(=O)N1CCCC1)N1CC[C@@H](B(O)O)C1 1329293648 SXQSLZYDUPGPMK-LLVKDONJSA-N 318.204 -0.733 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCCO2)[nH]n1 1335285683 RGIIMRSDYHHFLE-ZETCQYMHSA-N 311.298 -0.927 50 20 DBGD O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cc(O)ncn1 1335401456 CIXMXAQOHDCWDC-UHFFFAOYSA-N 302.294 -0.141 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)CC1(C)OCCO1 1340290633 BELKBECEVPDLRU-QMMMGPOBSA-N 303.315 -0.721 50 20 DBGD CSSCCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 1340761345 PWPZYBZNFYOQTA-UHFFFAOYSA-N 317.396 -0.566 50 20 DBGD COC(=O)N1CC(NC(=O)NNc2nncc(N)c2Cl)C1 1343322648 PFWDTHNBSQLWTF-UHFFFAOYSA-N 315.721 -0.211 50 20 DBGD CN(CC(=O)NNc1ncccc1C(=O)O)S(C)(=O)=O 1573998202 POQOTAHHFQIOTD-UHFFFAOYSA-N 302.312 -0.886 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC[C@@H](C(=O)O)C1 1594783235 WYRRPXWBHUYZLV-YIZRAAEISA-N 318.351 -0.931 50 20 DBGD COc1cccc([C@@H](NNC(=O)[C@H]2COCCO2)C(=O)O)c1 1599659742 NLWGNVAZVXGWKZ-VXGBXAGGSA-N 310.306 -0.143 50 20 DBGD O=C(O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CBr 1602201186 MKGNAKUKNLTACM-PHDIDXHHSA-N 302.146 -0.252 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)Nn2cnnc2)cc(-c2nn[nH]n2)n1C 1605486258 XIEBJDFPHCTSGB-KMKOMSMNSA-N 324.308 -0.218 50 20 DBGD Cc1nnc(NNC(=O)c2ccc(-c3nn[nH]n3)s2)nc1O 1606124450 NIMZNOCYVJWDJM-UHFFFAOYSA-N 319.310 -0.116 50 20 DBGD O=C(O)c1c(F)cccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1608828361 AWADFXWUPHLYSH-SSDOTTSWSA-N 317.103 -0.239 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(C)c(C(=O)O)c1 1609620141 NYBCJIDJDILBGE-UHFFFAOYSA-N 322.321 -0.611 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1ncc(C(=O)O)s1 1610149254 CEZOFMDIODSQMC-BYPYZUCNSA-N 316.295 -0.594 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(=O)O)nc1 1776042017 CJEMAJICNCVCQS-SSDOTTSWSA-N 314.323 -0.832 50 20 DBGD O=C1NC[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)O1 1843362136 FKOYCEZQEVTIEC-JGVFFNPUSA-N 319.720 -0.167 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(F)c1 264234141 CRCVCVAZGIKCDN-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1ccccn1 266066351 WPFQZDLYFKHQKC-UHFFFAOYSA-N 300.340 -0.830 50 20 DBGD COc1cc(C)nc(NNC(=O)C(C)(C)NS(C)(=O)=O)n1 266938502 PBPBGKPUHSIGEC-UHFFFAOYSA-N 317.371 -0.435 50 20 DBGD Nc1c(C(=O)NNC(=O)[C@H]2COCCO2)cccc1[N+](=O)[O-] 267390174 ICWUEEPWMQJMBX-SECBINFHSA-N 310.266 -0.647 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccncc1F 273681871 FZRLEPOYOHUBQR-LURJTMIESA-N 319.318 -0.689 50 20 DBGD O=C(NNC(=O)C1=NN(CCO)C(=O)CC1)Nc1ccccc1 282732709 INEGZPWTSCDVPC-UHFFFAOYSA-N 319.321 -0.190 50 20 DBGD CNC(=O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584944194 BNJNQPUPMDDKRH-JTQLQIEISA-N 308.118 -0.896 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(n2ccnn2)CC1 584965726 VPLMXHKFKNBNAA-UHFFFAOYSA-N 318.117 -0.426 50 20 DBGD OB(O)c1ccc(CNc2ccc(N3CCOCC3)nc2)o1 585033723 JFHHRBKLQCZLOO-UHFFFAOYSA-N 303.127 -0.197 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 732280637 NBRUYMCDSYEPPL-UHFFFAOYSA-N 301.350 -0.433 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNC(=O)c1cnn(C)c1 735446309 NFLIFFOMTVRZKM-UHFFFAOYSA-N 309.351 -0.197 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1ccncc1 738136188 HCFKIQMKQLBENQ-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)CCNC(=O)O 738136511 LKIHWGQWLVHHAI-UHFFFAOYSA-N 310.310 -0.088 50 20 DBGD O=C(O)NCCC(=O)OCC(=O)NNC(=O)c1cccs1 739948012 FRTCRFFZZGBZJU-UHFFFAOYSA-N 315.307 -0.290 50 20 DBGD CSc1cccc(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)c1 753444293 IVKIJXDRCAVEIS-SECBINFHSA-N 323.374 -0.099 50 20 DBGD Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)Cc1cc[nH]n1 755283928 GLCDJFSXRLBMOC-UHFFFAOYSA-N 304.266 -0.096 50 20 DBGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)C(=O)NC(C)C)c1 785399853 ANJIEADECSGWHN-GFCCVEGCSA-N 323.349 -0.729 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2ccoc2)nn1 790914776 QDTOPKUUPFVJAD-UHFFFAOYSA-N 322.281 -0.698 50 20 DBGD CC(Cn1cccn1)=NNC(=O)CSc1nnc(O)nc1O 814783974 DZIQXPPFEMNUGS-UHFFFAOYSA-N 323.338 -0.236 50 20 DBGD O=C(NCc1cccc(C(=O)O)c1)NNC(=O)[C@@H]1COCCO1 821446283 HMBCMDZNMDHDST-NSHDSACASA-N 323.305 -0.369 50 20 DBGD C[C@H](CO)N(C)NC(=O)Cc1ccccc1S(C)(=O)=O 823921997 GNMRCPRGAICFFQ-SNVBAGLBSA-N 300.380 -0.024 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ncn(CC(=O)OCC)n1 824449512 UJFOGWUFBYIDIS-UHFFFAOYSA-N 314.302 -0.970 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 828088208 UHONYKUYUPFFDK-QJPTWQEYSA-N 319.365 -0.124 50 20 DBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@@]1(O)CCOC1 840328256 ZOZXWJNOYMPHNY-OAHLLOKOSA-N 303.318 -0.060 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cccc2c1OCCCO2 844649640 OATKCZUYZFHEPN-UHFFFAOYSA-N 301.324 -0.030 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)C2(S(N)(=O)=O)CC2)n1 846263848 HIOACJNEHVKWMV-UHFFFAOYSA-N 305.747 -0.297 50 20 DBGD CCN1C[C@@H](C(=O)NN(C)C(=S)NCCCOC)CC1=O 854280558 YDZHFFVIHSQVEL-JTQLQIEISA-N 316.427 -0.271 50 20 DBGD CCC[C@@H](OCC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 858174754 VHRVKEJBFCVUAW-NXEZZACHSA-N 306.384 -0.226 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2COCCN2)cc1 861682846 WWOMQKCTPDKPLE-GFCCVEGCSA-N 303.322 -0.509 50 20 DBGD Cn1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1-n1cccc1 862451197 JYTVTRNJYIIUGJ-SNVBAGLBSA-N 316.321 -0.750 50 20 DBGD C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862455071 CYCHPARKTJKTIV-ABAIWWIYSA-N 305.334 -0.594 50 20 DBGD CC(C)(C)[S@@](=O)CCNC(=O)c1cc(B(O)O)ccc1F 863872411 GSYBNABOQDGPAI-NRFANRHFSA-N 315.175 -0.218 50 20 DBGD COC(=O)N1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 865112203 HYURMCZQINIPPX-LBPRGKRZSA-N 306.127 -0.673 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)CN1CCNCC1 876656388 NGDSSUCJYKVMIU-UHFFFAOYSA-N 312.395 -0.562 50 20 DBGD CC[C@@H](CN1CCOCC1)NC(=O)c1cccc(B(O)O)c1 928635650 NFLPFAHSSRWPRZ-AWEZNQCLSA-N 306.171 -0.793 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1sc(C)nc1C 1116187283 NACMVBNFRVVENO-UHFFFAOYSA-N 300.340 -0.194 50 20 DBGD C[S@@](=O)C1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 1116910877 LVSXAEHKGMISAH-APBUJDDRSA-N 323.440 -0.722 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCc2ccc(CO)cc2)N1 1118806109 NUGJWNJGSZHIGP-LBPRGKRZSA-N 320.349 -0.670 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 1320357721 GFNGALDOMWAXAQ-UHFFFAOYSA-N 309.326 -0.494 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC[C@H](C)N1CCCCC1 1320961509 HQOPIBGYHNUOHW-JTQLQIEISA-N 300.359 -0.246 50 20 DBGD COCC(C)(C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1322998155 GBXVKHVJYJCLBJ-QMMMGPOBSA-N 307.372 -0.824 50 20 DBGD O=C(c1ccc(N2CC[C@H](B(O)O)C2)nc1)N1CCOCC1 1334046731 PMHUNNRJBCAYEQ-LBPRGKRZSA-N 305.143 -0.393 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC1CCN(CC#N)CC1 1349060979 FAUPOPYEDDQRRH-CMPLNLGQSA-N 309.370 -0.270 50 20 DBGD CC(C)C[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)O 1588853229 SZYGHMYCTMGXMS-DTWKUNHWSA-N 314.342 -0.658 50 20 DBGD O=C1N[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCO1 1593401722 DNRDDCWUAVJOPR-ZETCQYMHSA-N 304.270 -0.797 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc(C(=O)O)c2)N1 1602638756 VCOHSJRSZSYYRN-SECBINFHSA-N 306.278 -0.184 50 20 DBGD CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795183750 OLKAFCIAGIBJEW-QCMRWSPLSA-N 321.780 -0.328 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)[nH]n1 111543423 SXHRBMPNLOVNHC-GHMZBOCLSA-N 309.370 -0.022 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1nnc[nH]1 177138223 GTEXWUTYCVKAJF-UHFFFAOYSA-N 306.301 -0.163 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2COCCO2)nc1C 272161767 HXTJVXXBSGREIH-JTQLQIEISA-N 310.310 -0.180 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 282478688 GYAVJWMZRDASLB-SKDRFNHKSA-N 321.333 -0.113 50 20 DBGD COC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 495448604 PHMNXXRHXXMJSF-JTQLQIEISA-N 323.284 -0.367 50 20 DBGD C[C@@H](CN1CCOC[C@@H]1C)NC(=O)c1ccc(B(O)O)cc1 584942397 USTRIUWYVFOZSN-RYUDHWBXSA-N 306.171 -0.795 50 20 DBGD CC(C)N1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1=O 584946982 CRQQIKMWGUETDJ-LBPRGKRZSA-N 308.118 -0.755 50 20 DBGD CC(C)N1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1=O 584947717 ZBOJCGWOGIGZHD-LBPRGKRZSA-N 308.118 -0.755 50 20 DBGD O=C(NCCSCCCO)c1cc(B(O)O)ccc1F 584963485 ZGZWWSIHRAMQDY-UHFFFAOYSA-N 301.148 -0.649 50 20 DBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H](C)S1=O 584980673 HHVUEXRHJPOYOC-RKDXNWHRSA-N 313.159 -0.513 50 20 DBGD OB(O)c1ccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)o1 585028223 HCFGWNUNJGGBNL-ZIAGYGMSSA-N 308.187 -0.308 50 20 DBGD O=S1(=O)CCCC[C@H]1CNCc1ccc(B(O)O)cc1F 585034687 LMQRBKTYXUBQBC-LBPRGKRZSA-N 315.175 -0.438 50 20 DBGD O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585040646 PAGZLDMANFZAIY-GFCCVEGCSA-N 321.186 -0.271 50 20 DBGD Cc1cnn(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 740922409 ZKHCEFVYUDFVRZ-BETUJISGSA-N 323.397 -0.162 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N=c1nc[nH]n1C 757760142 FOZABWKKJOFMRT-QMMMGPOBSA-N 322.300 -0.004 50 20 DBGD COc1ccsc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 760337941 CIKPANALQGOVTA-UHFFFAOYSA-N 321.380 -0.409 50 20 DBGD COC(=O)c1ccc(NNC(=O)CCS(C)(=O)=O)nc1 760785065 KELNVSJNTNDKMH-UHFFFAOYSA-N 301.324 -0.254 50 20 DBGD CN1CCC(=NNC(=O)c2csc(N3CCOCC3)n2)C1=O 761768330 ADKUSOZACHLMHR-UHFFFAOYSA-N 323.378 -0.072 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(CN(C)C)c1 764300290 WYEZQFXHZVOUIL-UHFFFAOYSA-N 308.338 -0.520 50 20 DBGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)C(=O)NC2CC2)c1C 769078316 XUTWMQBKDLPHKH-UHFFFAOYSA-N 322.321 -0.542 50 20 DBGD CCCNC(=O)CCCC(=O)NNC(=O)N1CCN(C)CC1 773673291 NBWBPGSHVNFEKZ-UHFFFAOYSA-N 313.402 -0.329 50 20 DBGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)C2CCC2)c1 788494615 WQBSCWABCXBYLQ-UHFFFAOYSA-N 313.335 -0.022 50 20 DBGD CN1CCN(C(=O)NN=Cc2ccc(OCC(N)=O)cc2)CC1 790175353 XQXBUSBLWZNFEI-UHFFFAOYSA-N 319.365 -0.158 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)C(C)C)nc1 792399453 DHGMTJNTHVGZEB-UHFFFAOYSA-N 315.355 -0.202 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCc2nncn2C1 813821015 NMBYNISGKYBUOZ-SECBINFHSA-N 301.310 -0.490 50 20 DBGD C[C@H](C#N)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 824034974 RBJDVPIDHFJKRP-MRVPVSSYSA-N 314.309 -0.030 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nc(C2CC2)n[nH]1 827126838 MINFPKVVKQSAIZ-CBAPKCEASA-N 308.342 -0.063 50 20 DBGD N#Cc1ccc([C@H](NNC(=O)[C@@H]2COCCO2)C(=O)O)cc1 833071325 DYZRMSSECROVKW-RYUDHWBXSA-N 305.290 -0.280 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@]2(O)CCOC2)cc1C 840238344 XIIPWKNWNJFCRU-OAHLLOKOSA-N 308.334 -0.019 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843755533 MLSAZMNQRKEWAS-JTQLQIEISA-N 310.354 -0.941 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)NCC1CC1 847390130 CBBYYXPJQRVPIH-UHFFFAOYSA-N 313.383 -0.776 50 20 DBGD Cn1cnn(CC(=O)NC[C@]2(C)C[C@H]2Br)c1=O 857395140 QOWWOVCCTKLTIC-XCBNKYQSSA-N 303.160 -0.129 50 20 DBGD Cc1cnn([C@H]2CCN(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C2)c1 858700720 RUMMYKVNRXTNSJ-QWRGUYRKSA-N 320.353 -0.542 50 20 DBGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 862449225 CUUKKEYYWDLXTC-QMMMGPOBSA-N 322.321 -0.542 50 20 DBGD COC(=O)C[C@]1(NC(=O)c2ccc(B(O)O)cc2)CCCOC1 863878794 KXQVRPTXMSHRCR-OAHLLOKOSA-N 321.138 -0.792 50 20 DBGD COc1ccc(CC(=O)NNC(=O)N2CCN(C)CC2)cc1O 868121725 MLFAJXWNWUNAFQ-UHFFFAOYSA-N 322.365 -0.069 50 20 DBGD COCCOCC(=O)NNC(=O)CN1Cc2ccccc2C1=O 869908895 AXJJAUCYGVIHJT-UHFFFAOYSA-N 321.333 -0.547 50 20 DBGD O=C(NN=Cc1nc(CO)cs1)[C@@H]1CN2CCC[C@@H]2CO1 905487057 VSLZDFWPEKKOKY-MNOVXSKESA-N 310.379 -0.051 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 910180597 NOVILXOKDSFJDW-NNYUYHANSA-N 311.382 -0.106 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc3cccn3cn2)CC1 935860785 VBMVGVWXBGALGS-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD COc1ccc(C(=O)NNC(=O)C2(n3cnnn3)CC2)cc1 1118608636 KZEGMVPQBOYKOI-UHFFFAOYSA-N 302.294 -0.368 50 20 DBGD CN(C)[C@]1(CNC(=O)NNC(=O)c2cccnn2)CCSC1 1119347187 KHEJTYMEGPQVNP-ZDUSSCGKSA-N 324.410 -0.142 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCCNC(N)=O 1256075146 IKMNMLRTQCULNV-QMMMGPOBSA-N 302.331 -0.686 50 20 DBGD CN(C)N(C(=O)c1cnn2cccnc12)[C@@H]1CCS(=O)(=O)C1 1317786925 HEBSBZPUORJMJX-SNVBAGLBSA-N 323.378 -0.165 50 20 DBGD Cn1cc(C(=O)NNC(=O)CC2(CS(C)(=O)=O)CC2)cn1 1318876672 KXXNMKLKLCTUHP-UHFFFAOYSA-N 314.367 -0.604 50 20 DBGD Cc1ccncc1/C=C/C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323729860 PCMADZFFUOAEDG-QAVQXKDTSA-N 323.374 -0.015 50 20 DBGD O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)C(=O)N1CCCC1 1324567318 QPMZPDFEQFJCCW-SNVBAGLBSA-N 305.338 -0.785 50 20 DBGD C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NNC(=O)c1cn[nH]c1 1328803256 BGEOBPWPDPHCTM-ZYHUDNBSSA-N 322.369 -0.441 50 20 DBGD O=C(CCC1CCOCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1329669658 MKRHRXONUHHONE-LLVKDONJSA-N 318.395 -0.225 50 20 DBGD Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)nc2nc(O)nc(O)c12 1329673312 WPYSNSBBIGVYLI-SSDOTTSWSA-N 318.098 -0.567 50 20 DBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NN(C)[C@H](C)CO)c2C1 1332471334 VPNSDQROTWCBNQ-ZYHUDNBSSA-N 323.397 -0.461 50 20 DBGD CCC(=O)NC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1349296476 GAIAGJGGPRMRBX-UHFFFAOYSA-N 304.155 -0.503 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1CCC(=O)N1C 1350777809 BEIWUVIGZPROOH-SNVBAGLBSA-N 312.370 -0.551 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)CC2(N)COC2)cc1 1579206311 YUKAJUJIZBLOLU-UHFFFAOYSA-N 307.350 -0.107 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)cc1N 1579989556 GYIVOMKFPRAQPL-NSHDSACASA-N 322.369 -0.983 50 20 DBGD C=CCNC(=S)NNC(=O)COCc1ocnc1C(=O)O 1588845402 LMNDMLOGBTZOQR-UHFFFAOYSA-N 314.323 -0.429 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)NCCc1cccs1 1593907961 CSJMPVCEZBTABP-QMMMGPOBSA-N 301.324 -0.279 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H]1C(=O)O)c1nc[nH]c2ncnc1-2 1594782972 PWKIESSEMIMPDA-NTSWFWBYSA-N 304.266 -0.824 50 20 DBGD O=C(O)CCCC(=O)NNC(=O)CNC(=O)c1cccnc1 1595027885 UZHRUJVQWYUYNB-UHFFFAOYSA-N 308.294 -0.786 50 20 DBGD CC[C@H](CNC(=O)NNC(=O)C(=O)O)NC(=O)OC(C)(C)C 1595150115 PMLLWEWHSISVTK-SSDOTTSWSA-N 318.330 -0.295 50 20 DBGD CN1CC[C@H]1CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604855943 PDSQZQAYMXYVPD-VIFPVBQESA-N 303.330 -0.408 50 20 DBGD CCOCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1605642234 HCTXDWJKGGYKAY-UHFFFAOYSA-N 309.278 -0.606 50 20 DBGD O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNC(=O)[C@H]1CCCCO1 1608460837 GUYGJQJGTXIVCB-OPRDCNLKSA-N 315.326 -0.624 50 20 DBGD O=C(CN1CCN(C(=O)c2ccco2)CC1)NNC(=O)C1CC1 112975519 QAEKTUFMFOMNNK-UHFFFAOYSA-N 320.349 -0.405 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)Cn1cnc2ccccc21 264836037 KBQIBQLIPLFFOS-UHFFFAOYSA-N 319.321 -0.070 50 20 DBGD COCCOc1cncc(C(=O)NNC(=O)c2cnn(C)c2)c1 283040487 RERBMCCZOKJQIK-UHFFFAOYSA-N 319.321 -0.085 50 20 DBGD CN1CCC(CCNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584937903 ZBPHOZBFHURNEF-UHFFFAOYSA-N 308.162 -0.033 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 585070592 APILLQOPJZRVBM-JTQLQIEISA-N 312.156 -0.716 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CC(=O)NCc1ccco1 732197753 YVVAYDORFOSSNB-SNVBAGLBSA-N 310.354 -0.227 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3CNC[C@@H]3C2)c1 744389442 STVXYJFZIZYVMA-ZIAGYGMSSA-N 313.361 -0.530 50 20 DBGD Cc1ccncc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758034948 IYMOFQKRTGCECT-QMMMGPOBSA-N 300.340 -0.911 50 20 DBGD C[C@@H]1C[C@H]1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 758372728 AGQNZDLKAWIGCH-SFYZADRCSA-N 311.367 -0.671 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)CCc1ccccc1 758960471 WTFMPVIFJYAGCS-UHFFFAOYSA-N 307.350 -0.129 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O 768772051 XPSWQXVHPMSYNR-CABZTGNLSA-N 322.321 -0.332 50 20 DBGD CO[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C(C)C 771738142 JYQZJMQLIUVAKZ-GFCCVEGCSA-N 308.338 -0.370 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)NCCF 799916729 OHWZSMFCKWJBTQ-SECBINFHSA-N 321.312 -0.024 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ncncc1F 814296293 FNAGGMDJXALKKP-UHFFFAOYSA-N 306.323 -0.819 50 20 DBGD CCNC(=O)CN(CC)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827315051 NFDBMCIVGNSDRA-NXEZZACHSA-N 300.359 -0.390 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CC23CCNCC3)n1 831172330 KCFDHPJOISIXKX-LBPRGKRZSA-N 320.397 -0.028 50 20 DBGD CCO[C@@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1OC 841622922 CJUWUBRMVGDFMT-FXBDTBDDSA-N 307.372 -0.780 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 843661890 OFZSLABQHVLFOH-JGVFFNPUSA-N 308.294 -0.551 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1F 845080621 JYLMIAQDPBQERK-VIFPVBQESA-N 301.299 -0.722 50 20 DBGD CO[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)C(F)(F)F 846638030 DQDRGAPHUOGGPE-ZCFIWIBFSA-N 307.232 -0.014 50 20 DBGD O=S(=O)(CCl)N1CCN(S(=O)(=O)C2CC2)CC1 859277058 SDEOMRUMRBZEHR-UHFFFAOYSA-N 302.805 -0.378 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NN(C)C[C@@H](C)O)C1 910168581 OWIFNWHYIYUKKU-MNOVXSKESA-N 307.416 -0.608 50 20 DBGD COCCn1cc(C(=O)NNC(=O)OCC(F)(F)F)nn1 1118734375 YYGNRYBJSCNPSM-UHFFFAOYSA-N 311.220 -0.142 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)c1nnnn1C 1121907082 LRGNXJQYZHBZDG-QMMMGPOBSA-N 314.309 -0.213 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(CCOC)n1 1254896475 CHLGEEHPTRCILB-SECBINFHSA-N 311.342 -0.339 50 20 DBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)COC)c(C)c1 1254905650 QBJKDGCNNBOWTB-UHFFFAOYSA-N 322.321 -0.913 50 20 DBGD Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)C(=O)NC(C)C 1318954091 RLTVIGFBNPPCQZ-UHFFFAOYSA-N 323.353 -0.100 50 20 DBGD CN1CCC(CNC(=S)NNC(=O)c2cnccn2)CC1 1320294970 HWWOCVPEGPHGER-UHFFFAOYSA-N 308.411 -0.073 50 20 DBGD O=C(CCO)NNC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 1320567325 SBUWLPNZZDXHSS-UHFFFAOYSA-N 313.335 -0.449 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)c(=O)n(C)c1 1321153668 CDRXHWGFEVPYOA-UHFFFAOYSA-N 320.349 -0.030 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 1322026759 MDBFSCCHSYTPDR-UHFFFAOYSA-N 315.351 -0.993 50 20 DBGD O=C(NNC(=O)c1cnn2c1OCCC2)C(=O)N1CCCC1 1324223070 QEJRYVZFGAYRAY-UHFFFAOYSA-N 307.310 -0.951 50 20 DBGD O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CC[C@@H](B(O)O)C1 1329214768 KCVSHGVCZKUYKN-ZJUUUORDSA-N 315.160 -0.918 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2conc2C(F)(F)F)N1 1329530118 JTFALMPNICSDSB-YFKPBYRVSA-N 306.200 -0.267 50 20 DBGD CCc1nnc(O)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1CC 1331804429 WDJOATKJIDTMKS-SECBINFHSA-N 321.337 -0.653 50 20 DBGD Cc1nn(C)cc1CCC(=O)NNC(=O)CN1CCCC1=O 1354110043 APNMJPLZHPFGOT-UHFFFAOYSA-N 307.354 -0.569 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)N1CCNCC1=O 1575072779 XSEMXGPZKQKMFR-SECBINFHSA-N 324.768 -0.079 50 20 DBGD CC(C)(CS(=O)(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)O 1590817586 DDCCFVCAZDONCH-IWSPIJDZSA-N 320.367 -0.385 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 1601555707 MHNBKFCXFHZKDL-ZXZZCXTASA-N 307.310 -0.147 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 7955212 MEEIEDFRFBDOJL-JTQLQIEISA-N 312.347 -0.109 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1cncn1 44576547 KIZKXGFNBWQZAU-JOYOIKCWSA-N 317.305 -0.174 50 20 DBGD COc1ccccc1C(=O)NCC(=O)NNC(=O)NC1CC1 64428533 XEIGUUNXHLYBMQ-UHFFFAOYSA-N 306.322 -0.082 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(-n2cnnn2)c1 109995815 KGSOGPXEETUFQO-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD N#Cc1c[nH]c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 177469779 IHAMGWAZQGKNFY-UHFFFAOYSA-N 322.288 -0.063 50 20 DBGD Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NNC(=O)C1CC1 264142435 XACQWQXKOVDRML-UHFFFAOYSA-N 303.322 -0.261 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N[C@@H]1CC(=O)N(C)C1 267590489 ICUPYHNFETZVFV-SECBINFHSA-N 306.322 -0.130 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)CC(=O)OC 268226411 SOARAOVTFVLTCB-QMMMGPOBSA-N 301.343 -0.362 50 20 DBGD CC(C)n1cccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273354663 BSLFBZUANMYHNP-SECBINFHSA-N 316.383 -0.232 50 20 DBGD CCc1ncsc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273478334 KUDVNDHHOVDRMQ-LURJTMIESA-N 320.396 -0.596 50 20 DBGD Cc1ccc(CNC(=O)NCC(=O)NNC(=O)C(C)(C)O)cc1 277900357 GUBONSIWLXZALX-UHFFFAOYSA-N 322.365 -0.287 50 20 DBGD CN(CCOCCO)CC(=O)NNC(=O)c1ccc(F)cc1 282449377 KBXYTKXGPYCTJX-UHFFFAOYSA-N 313.329 -0.473 50 20 DBGD O=C(CC1CC1)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 294022284 CHZPXQAECTVZHL-UHFFFAOYSA-N 316.317 -0.070 50 20 DBGD Cc1cccc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)c1C 368157431 DFAAZBYAPJZSIU-NSHDSACASA-N 305.334 -0.204 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)n1 373760632 XCFUWHBDHVCTOJ-CYBMUJFWSA-N 303.366 -0.459 50 20 DBGD O=C1CN(C(=O)c2cccc(B(O)O)c2)[C@@H]2CCCC[C@H]2N1 584957359 GAEYNSXAQHVCHP-CHWSQXEVSA-N 302.139 -0.750 50 20 DBGD OC[C@H]1CCCN1CCCCNCc1ccc(B(O)O)cc1F 585024226 VNCCQHZGTULTNH-OAHLLOKOSA-N 324.205 -0.168 50 20 DBGD CN(CC(F)(F)F)C(=O)CNCc1ccccc1B(O)O 585025327 RGMHBTCJANTIJD-UHFFFAOYSA-N 304.077 -0.523 50 20 DBGD CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccccc2B(O)O)C1 585028811 NLGDNAVAOCUZGQ-CHWSQXEVSA-N 311.212 -0.188 50 20 DBGD O=C1CC[C@@H](CCc2nc(-c3ccc(B(O)O)cc3)no2)N1 585055033 PENIQEPGXZBFDL-NSHDSACASA-N 301.111 -0.372 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)COc1ccc(C#N)cc1 726765404 MZQLFTJSFKEZRP-UHFFFAOYSA-N 318.333 -0.001 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccnc1-n1cccn1 755285294 MWPSNYBSINLJAP-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD CCOc1cccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)n1 763172396 LJQUVJWPIGVHHC-VIFPVBQESA-N 314.367 -0.132 50 20 DBGD O=C(NNC(=O)C1(O)CCOCC1)[C@H]1COc2ccccc2O1 771859167 PAWPQBMRVVBPBG-GFCCVEGCSA-N 322.317 -0.485 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)C(C)(C)C 772235942 JEHBEKPLODDEFT-MRVPVSSYSA-N 322.383 -0.311 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2cccnn2)O1 774777348 WNNAMROPHAQSQY-UWVGGRQHSA-N 308.342 -0.262 50 20 DBGD CN(C)C(=O)CNC(=O)NNc1cccc(S(C)(=O)=O)c1 776608546 KRBCYTPZTHLARC-UHFFFAOYSA-N 314.367 -0.196 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccccc1OC 779845542 QEHNLZWKSQDTFR-UHFFFAOYSA-N 317.323 -0.639 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1c(Cl)cnn1C 780226195 WGLBOENMTFXNMU-ZCFIWIBFSA-N 307.763 -0.539 50 20 DBGD CCn1cc(C(=O)C(=O)NNC(=O)N2CCN(C)CC2)cn1 788169283 LWXCDXNHYMGQMQ-UHFFFAOYSA-N 308.342 -0.926 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC(=O)N2CCCC[C@H]12 799478802 OTGXRYDLHJUJGU-WCBMZHEXSA-N 316.383 -0.819 50 20 DBGD COCCN(C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 808071831 MLXSKLPGSBPIFF-UHFFFAOYSA-N 312.370 -0.150 50 20 DBGD O=C1CC(C(=O)NNC(=O)C(=O)NC2CC2)(c2ccccc2)C1 809968940 JPKLMVXORALBPV-UHFFFAOYSA-N 315.329 -0.287 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)c2cnccn2)cc1 811637083 QNRULCYEAGXZLR-UHFFFAOYSA-N 305.319 -0.112 50 20 DBGD O=C1NC(=O)C(=NNC(=O)Nc2cc(F)cc(F)c2)C(=O)N1 815005922 BJDJQNHFYMJWLB-UHFFFAOYSA-N 311.204 -0.192 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)n1C 815475306 FUWCKFFQFFLIRA-UHFFFAOYSA-N 305.294 -0.462 50 20 DBGD N[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H]1c1ccccc1 843381817 TZKRMMSKEGQXJW-UONOGXRCSA-N 302.378 -0.030 50 20 DBGD COCC1(CC(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 844136121 AUVNOLREXBFKDZ-UHFFFAOYSA-N 320.349 -0.225 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)CNC(C)=O 845597300 BQWASPYRADVJMI-UHFFFAOYSA-N 314.386 -0.399 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCOC(=O)N1 861765097 LHHSWVVJCRMNOF-JTQLQIEISA-N 307.306 -0.116 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCc1cnn[nH]1 864590698 NTRICNGLHGDFQM-UHFFFAOYSA-N 300.388 -0.389 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 915916207 NYDQUASXSIXBAM-LLVKDONJSA-N 322.321 -0.707 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)Cn2cnnn2)c1 929086670 RYUJLICRXUUXDB-UHFFFAOYSA-N 306.282 -0.849 50 20 DBGD Cc1ncsc1/C=C\C(=O)NNC(=O)CS(C)(=O)=O 1119896600 PPYOWBBXXOPAPJ-ARJAWSKDSA-N 303.365 -0.343 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)cc1 1318451279 OFFVJHPQIUQZKY-UHFFFAOYSA-N 315.289 -0.739 50 20 DBGD Cc1cc(NNC(=O)C2CCN(S(C)(=O)=O)CC2)ncn1 1318502430 SJOJAYYLVZZXGF-UHFFFAOYSA-N 313.383 -0.100 50 20 DBGD COC(=O)C(=O)NNC(=O)NC1CC(C)(C)NC(C)(C)C1 1319003264 JLKMNMLJPMRUHS-UHFFFAOYSA-N 300.359 -0.201 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC 1320711009 LHGGPGBRGBCKIH-UHFFFAOYSA-N 313.241 -0.907 50 20 DBGD CC(C)NC(=O)NNC(=O)c1sccc1S(N)(=O)=O 1327871662 MPLTWECIUZMWCC-UHFFFAOYSA-N 306.369 -0.252 50 20 DBGD O=C(CCc1ccncn1)NNC(=O)CNC(=O)c1ccco1 1343655886 JDWYOZAAMLQOSU-UHFFFAOYSA-N 317.305 -0.420 50 20 DBGD CSCC[C@H](N)CC(=O)NNC(=O)c1ccc(=O)n(C)c1 1579380795 WNVKSDSHYQHHNQ-JTQLQIEISA-N 312.395 -0.383 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCCCO1 1592561678 SAZMSDRTGZKRDT-SNVBAGLBSA-N 319.325 -0.465 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccsc1-c1nn[nH]n1 1593158362 RSPUSMUKRNPADH-SSDOTTSWSA-N 324.322 -0.895 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1coc(/C=C\C(=O)O)c1 1594163902 NIJNMGBJIHYNLC-IHWYPQMZSA-N 316.291 -0.817 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1 1602392813 GDIMBNAJNJBYAI-ZETCQYMHSA-N 300.101 -0.983 50 20 DBGD CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847110213 DQFXXZSSMMRXNX-VIFPVBQESA-N 316.789 -0.125 50 20 DBGD O=C(c1ncccn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847557090 UXIRKJNXLIJUQD-GARJFASQSA-N 324.768 -0.108 50 20 DBGD COc1ccccc1CCNC(=O)NNC(=O)C(=O)NC1CC1 43294418 MUEGOUVFGMTGKL-UHFFFAOYSA-N 320.349 -0.153 50 20 DBGD O=C(CN1CCC[C@H](O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 48616112 ZJITWSFURNJCAU-LBPRGKRZSA-N 322.321 -0.188 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CN1CSCC1=O 55352908 NCAOBSDUFXMQTC-UHFFFAOYSA-N 323.374 -0.082 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)[C@H](C)NC(N)=O)cc1 67473617 UJQOCXFQWWUHRH-VIFPVBQESA-N 308.338 -0.168 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)Cc2cnn(C)c2)C[C@@H](C)O1 111545260 FQGYXAPGWDCQCC-TXEJJXNPSA-N 323.397 -0.391 50 20 DBGD O=C(NC[C@H]1Cc2ccccc21)NNC(=O)C(=O)NC1CC1 131878931 PGWGUAFPRWOOSK-SNVBAGLBSA-N 302.334 -0.065 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n[nH]1 273471988 JNFRSFVZXZPEBA-SSDOTTSWSA-N 317.371 -0.768 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)n1 282268149 PHZGRBVHVPIDSD-XVKPBYJWSA-N 308.342 -0.056 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2ncc[nH]2)C[C@H](C)O1 289164901 WTYWEIGMRNLMOY-RYUDHWBXSA-N 323.397 -0.011 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)C(C)(C)C 298820312 WJAVYFLVHRHYPS-UHFFFAOYSA-N 302.356 -0.520 50 20 DBGD NC(=O)C(=O)NN=C1CCN(C(=O)OCc2ccccc2)C1 496170148 OYWQSBOWYREYTG-UHFFFAOYSA-N 304.306 -0.014 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCCC[C@H]1c1nc[nH]n1 584969322 LFQHJBNGKPZTRG-LBPRGKRZSA-N 300.127 -0.148 50 20 DBGD Cn1c(CNC(=O)c2ccc(B(O)O)cc2)nnc1C1CC1 584971600 URPQDSWDZQGNTL-UHFFFAOYSA-N 300.127 -0.698 50 20 DBGD Cn1cc([C@@H]2OCC[C@H]2CNCc2ccc(B(O)O)o2)cn1 585045896 JOIIVHQLVNUEIR-IINYFYTJSA-N 305.143 -0.440 50 20 DBGD O=C(NCB(O)O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 585059722 YDRURXDRGPIQAA-SNVBAGLBSA-N 320.110 -0.852 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccncc1 732839660 WXCJBKIJHOVKJG-JTQLQIEISA-N 312.351 -0.733 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)N(C)C 734124707 QBOUNIDSHMGZFW-JTQLQIEISA-N 320.415 -0.117 50 20 DBGD Cc1cc(NNC(=O)c2cc(S(N)(=O)=O)cn2C)nc(C)n1 736711549 APBANVVUDILTRF-UHFFFAOYSA-N 324.366 -0.164 50 20 DBGD CNC(=O)COc1ccc(NC(=O)NNC(=O)COC)cc1 756442330 ONEBDXYHLZXDIF-UHFFFAOYSA-N 310.310 -0.390 50 20 DBGD CCN(CC(=O)NC)CC(=O)NNC(=O)c1cccc(C)c1 764203451 YNDHMAOTRRJHCL-UHFFFAOYSA-N 306.366 -0.176 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C)c1 764299134 CQRSQBJASLRREC-UHFFFAOYSA-N 323.305 -0.486 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCN(C)C1=O 771940912 RQMIOCFJHIAEMD-JTQLQIEISA-N 315.333 -0.118 50 20 DBGD CCn1nccc1C(=O)NNC(=O)CNC(=O)c1cccnc1 776177299 SALMYHRLKPFJPQ-UHFFFAOYSA-N 316.321 -0.511 50 20 DBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NN(C)C(N)=O 778417946 ZQVZBAROCZDVRA-ZETCQYMHSA-N 312.417 -0.911 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)CCCN1CCOCC1 782478820 VELVATQJHKPPNH-UHFFFAOYSA-N 308.404 -0.796 50 20 DBGD Cn1nnc(CNC(=O)NNc2ccc(-n3cccn3)nn2)n1 787442530 SFPDHPDNJDQDPO-UHFFFAOYSA-N 315.301 -0.988 50 20 DBGD CCCN(CC)C[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 812700218 XQCCOKJCYQFFEH-JTQLQIEISA-N 313.402 -0.284 50 20 DBGD CCN(CCO)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 823834245 YJWMFKJNADPABD-UHFFFAOYSA-N 315.395 -0.381 50 20 DBGD CCN(CCO)NC(=O)[C@H](C)Sc1nnnn1C1CC1 823853000 WIKSZBYJJLNATE-QMMMGPOBSA-N 300.388 -0.166 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOC[C@@H]1CCCO1 826015534 AEBQSJYRXPFCCX-SRVKXCTJSA-N 315.370 -0.063 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cn1)NNC(=O)C1CC1 826414459 XASVXVLIZZNYCN-UHFFFAOYSA-N 302.298 -0.769 50 20 DBGD C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)CCl)CC1 829847680 KHJITEUNSGUCMK-VIFPVBQESA-N 309.819 -0.203 50 20 DBGD COCCO[C@@H](C)C(=O)NN=C(C)c1cn(CC(=O)O)nn1 831757032 GKZKWTBBYKKQPR-VIFPVBQESA-N 313.314 -0.746 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCCS2(=O)=O)nc1 847615620 CTDISVXTPVHCQQ-SECBINFHSA-N 313.335 -0.112 50 20 DBGD COCCN(C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 848378329 NPJGDGKQIDQRLB-UHFFFAOYSA-N 318.399 -0.502 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)[C@@H]2CCCCO2)n1 854682581 BVSVKWBMKJTCLO-VIFPVBQESA-N 310.358 -0.313 50 20 DBGD CC1=C(C(=O)NN[C@H](C)C(F)(F)F)Cn2nnnc2N1C 862317983 NXEUVKKIWUEOCV-ZCFIWIBFSA-N 305.264 -0.032 50 20 DBGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862459885 YEZGSSQZRPJEEH-LLVKDONJSA-N 321.381 -0.487 50 20 DBGD CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 865089523 FNSNAIQVOYEFRF-OAHLLOKOSA-N 315.182 -0.328 50 20 DBGD COC(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCCC1 866284692 HCHAHLXUSIWGMZ-UHFFFAOYSA-N 305.139 -0.170 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F 873765966 SDLSLESZVSAQCU-NKWVEPMBSA-N 324.328 -0.018 50 20 DBGD COC(=O)C[C@H](NS(=O)(=O)CCCCl)C(=O)OC 881774256 XXGCHUSRRJVZGB-ZETCQYMHSA-N 301.748 -0.361 50 20 DBGD CC(C)CC(=O)NNC(=O)CSCC(=O)N1CCOCC1 913164416 PZVKHZMGBPDBBY-UHFFFAOYSA-N 317.411 -0.228 50 20 DBGD CCNC(=O)N(C)NC(=O)c1nnn(Cc2noc(C)n2)c1C 1116844375 FHICOXBEIPQOGR-UHFFFAOYSA-N 322.329 -0.368 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)Cc2ccncc2)C1 1318899371 LPERLXRISKBGJS-CYBMUJFWSA-N 320.397 -0.800 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)S(C)(=O)=O 1319295602 KKDGNLGKSRHXHK-SECBINFHSA-N 324.362 -0.543 50 20 DBGD NC(=O)N1CCC[C@H](C(=O)NNc2nc3ccccn3n2)C1 1321852851 FQQPEMPIEVMSHA-VIFPVBQESA-N 303.326 -0.037 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1323942153 YYVMIFHZCDGDNN-UHFFFAOYSA-N 324.385 -0.423 50 20 DBGD C[C@H](O[C@H](C)C(=O)O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1325793746 PEVBZUCFSHIDSZ-JGVFFNPUSA-N 324.337 -0.072 50 20 DBGD Cn1nc2ccccc2c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331690478 JPCYFMVVJYHQAU-JTQLQIEISA-N 301.306 -0.387 50 20 DBGD CN(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 1341925606 BJIAETDLNNKVJX-UHFFFAOYSA-N 317.371 -0.809 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C12CCC(C(=O)O)(CC1)C2 1591635863 SHFAQUZXMSJQRX-UHFFFAOYSA-N 311.338 -0.307 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)c(OC)c1 1604858378 AFAQZWGIECXKBP-UHFFFAOYSA-N 309.278 -0.111 50 20 DBGD O=C(O)COCC(=O)NNC(=O)Cn1cnc2ccccc21 1606273039 PXQNPJRCWJKKSH-UHFFFAOYSA-N 306.278 -0.715 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1ccnc2[nH]nnc12 1606858292 OWFNGPCKKHNWAP-UHFFFAOYSA-N 323.280 -0.315 50 20 DBGD CN1CC(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)C1 1846713961 AWSPRGFRFVXDLC-NSHDSACASA-N 315.801 -0.649 50 20 DBGD N#Cc1ccc(C(=O)NNC2=c3ccc(F)cc3=NC2=O)cc1 140042956 LLFGTFMPYYPQFM-UHFFFAOYSA-N 308.272 -0.100 50 20 DBGD Cc1cnn(CCC(=O)NNC(=O)CNC(=O)c2ccco2)c1 156836566 MIRXGAPAIZLYPY-UHFFFAOYSA-N 319.321 -0.248 50 20 DBGD COCCN1CC[C@@H](NC(=O)NNc2nccc(OC)n2)C1 265720709 GNMNUVPAPZAOHB-SNVBAGLBSA-N 310.358 -0.168 50 20 DBGD COc1cccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)n1 272439199 ABIMBUPGDWMLED-RKDXNWHRSA-N 309.326 -0.251 50 20 DBGD COCCOCC(=O)NNC(=O)COc1ccc(C#N)cc1 291834567 IXRGIJRLAKTOPI-UHFFFAOYSA-N 307.306 -0.253 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2NC(=O)O[C@H]2C)cc1 496669541 YACIFFARZYANLW-WPRPVWTQSA-N 320.305 -0.422 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N(CCCO)Cc1ccccn1 584981652 AMIPMVIMVSKZLI-UHFFFAOYSA-N 314.150 -0.214 50 20 DBGD C[C@@H]1NC(=O)CC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 585002296 SLWXJCYNZYEPKI-WPRPVWTQSA-N 308.118 -0.850 50 20 DBGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1ccccc1 727064913 DPQPZXFUMFXITB-UHFFFAOYSA-N 316.408 -0.655 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C1CCCC1 728466409 ZCHGEUXMPSBPLT-GFCCVEGCSA-N 324.381 -0.549 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(C(=O)NC3CC3)CCC2)cn1 735471020 JMLIRAVBPRYNAE-UHFFFAOYSA-N 305.338 -0.370 50 20 DBGD CN(CC(=O)NNc1nc2ccccc2c(=O)n1C)C(=O)O 737393465 NBNOOILNXBOWRO-UHFFFAOYSA-N 305.294 -0.014 50 20 DBGD COc1cc(C(=O)NNC(=O)C(=O)NC(C)C)ccc1[N+](=O)[O-] 751303842 ZFWMJPALJYHCPG-UHFFFAOYSA-N 324.293 -0.111 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(F)n1 768129476 FRMHQUMNWFBTMN-SSDOTTSWSA-N 316.314 -0.192 50 20 DBGD Cc1nn(C)c(Cl)c1C(=O)NNC(=O)N1CCN(C)CC1 773673425 OASSEKAXCJEKCI-UHFFFAOYSA-N 314.777 -0.016 50 20 DBGD COc1ccc(NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)nc1 781531026 YQEFQJFADFFRHT-JTQLQIEISA-N 314.367 -0.043 50 20 DBGD COCCONC(=O)NNC(=O)c1ccc2c(c1)OCCO2 789346548 LQPWYKPHSDUFDW-UHFFFAOYSA-N 311.294 -0.020 50 20 DBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802026973 ZGCRDYRDOLQSRB-SNVBAGLBSA-N 305.338 -0.085 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)S1(=O)=O 810112026 HDZMDYLOAXQYIG-DTORHVGOSA-N 303.384 -0.949 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCCN(C)C2=O)CC1 822764841 PMSASCOGMKTQRG-LLVKDONJSA-N 311.386 -0.767 50 20 DBGD CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 825732283 SOYQPAUGAWMQKI-BBBLOLIVSA-N 305.400 -0.102 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H](O)C1CCOCC1 827298429 IPYFWOVBXRMXEE-ZMLRMANQSA-N 315.370 -0.471 50 20 DBGD COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)CBr)C1 828382685 VXALYTSQZMEGHM-RQJHMYQMSA-N 316.173 -0.476 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)OCC(F)(F)F 856023657 REWZDODGWQDFTF-BYPYZUCNSA-N 307.250 -0.756 50 20 DBGD COC(OC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 895511573 VVEYKCANMIOIIH-UWVGGRQHSA-N 303.359 -0.748 50 20 DBGD CN1C[C@@H](O)C[C@@]1(C)C(=O)NNC(=O)Cc1ccccc1F 900639454 XOOSAZQDNVUDMX-NHYWBVRUSA-N 309.341 -0.029 50 20 DBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)CC(C)C 912522427 SOJVQMREHHLXGE-UHFFFAOYSA-N 304.328 -0.448 50 20 DBGD CC1CCN(C(=O)C(=O)NNC(=O)CN2CCCC2=O)CC1 913732373 TUDMRZHGNRRVLQ-UHFFFAOYSA-N 310.354 -0.985 50 20 DBGD COC[C@@H]1COCCN1CC(=O)NNC(=O)c1cccs1 933333403 LGCGVZDSYBBLPB-SNVBAGLBSA-N 313.379 -0.144 50 20 DBGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)CC2 1116903839 YZNNSCOXUSPBFI-VIFPVBQESA-N 302.338 -0.362 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccnc(-n2cncn2)c1 1254696849 LSDUIFLLLTXQGR-UHFFFAOYSA-N 312.293 -0.611 50 20 DBGD Cn1nccc1CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1254876876 MHEDEZTVTWFPNE-LBPRGKRZSA-N 315.399 -0.656 50 20 DBGD C[S@@](=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 1318081604 JSMDTNUNYZGVSN-JOCHJYFZSA-N 323.374 -0.193 50 20 DBGD Cn1cc(CCC(=O)NNc2nc(O)c3cnn(C)c3n2)cn1 1319292228 PABPFAQETHNEHS-UHFFFAOYSA-N 316.325 -0.122 50 20 DBGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320224232 LBGAYQOQVPBKES-UHFFFAOYSA-N 322.321 -0.009 50 20 DBGD Cc1cc(NC(=O)NNC(=O)CCO)ccc1-n1cnnn1 1320279146 BOWWDECFULFSSM-UHFFFAOYSA-N 305.298 -0.494 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)Cc1cc[nH]n1 1325321115 KDHSPUOIPQHERA-UHFFFAOYSA-N 307.310 -0.971 50 20 DBGD O=C(NNC(=O)N1CC[C@@H](N2CCCC2=O)C1)c1cn[nH]c1 1328803849 IMOJCXCEHNMVGC-SNVBAGLBSA-N 306.326 -0.539 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2cncn2C1 1330955945 UCHLKVIPDOKQAA-SNVBAGLBSA-N 321.381 -0.102 50 20 DBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 1337274322 LQAWEFOTOAXBFS-ZJUUUORDSA-N 309.322 -0.028 50 20 DBGD CN(C)N(C(=O)c1cc2ncccn2n1)[C@@H]1CCS(=O)(=O)C1 1345670369 UCKSKTXXHJFPCX-SNVBAGLBSA-N 323.378 -0.165 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549316143 FHEWIIPYWJAZGA-VXGBXAGGSA-N 317.411 -0.224 50 20 DBGD Cn1c(O)ncc(C(=O)NNc2ccccc2C(=O)O)c1=O 1600896342 XKIJBVRAVHKYSM-UHFFFAOYSA-N 304.262 -0.059 50 20 DBGD Cn1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)O 1600946233 PLEWVAMAHGAYLX-SECBINFHSA-N 313.335 -0.392 50 20 DBGD CC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1602929611 VCGQACAOFCYPOD-JTQLQIEISA-N 316.325 -0.284 50 20 DBGD O=C(NCCCNC(=O)c1ccccc1)NNC(=O)C(=O)O 1608444412 CTNIRMOIXLFDBK-UHFFFAOYSA-N 308.294 -0.779 50 20 DBGD O=C(O)Cc1csc(NC(=O)NNC(=O)c2cn[nH]c2)n1 1608793133 VHESLAYAORROMV-UHFFFAOYSA-N 310.295 -0.040 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(-n2cccn2)c1 1610714309 OAIDKNVEGAGBCN-UHFFFAOYSA-N 317.261 -0.957 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 32081657 LLCFBMUJIGBKJX-UHFFFAOYSA-N 317.323 -0.267 50 20 DBGD O=C(NCCc1ccccc1F)NNC(=O)C(=O)NC1CC1 43480838 FVBIZHJZKRCZRK-UHFFFAOYSA-N 308.313 -0.023 50 20 DBGD CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)CN(C)C)C1 113423708 BSHNYHDALGSXJT-NWDGAFQWSA-N 312.414 -0.020 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)COCc2ccccc2)C1 266832428 IPOTWYZRXIBGCY-ZDUSSCGKSA-N 307.350 -0.319 50 20 DBGD COC(=O)c1cn(CC(=O)NNc2nccc(OC)n2)nn1 266952867 FNHQKAVMFSRRCB-UHFFFAOYSA-N 307.270 -0.993 50 20 DBGD CC(=O)OC(C)(C)C(=O)NNC(=O)CNC(=O)c1ccco1 275201517 AOPRLFOXSJCWSJ-UHFFFAOYSA-N 311.294 -0.502 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CCn1cnccc1=O)C1CC1 292349478 DPFRWXFPEBPOII-SECBINFHSA-N 309.395 -0.073 50 20 DBGD O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1cccc(B(O)O)c1 584911004 FJKNMCMWSVLPSZ-SNVBAGLBSA-N 311.168 -0.480 50 20 DBGD CC(C)CN1CCO[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 584926539 RMVWLOPREKITIW-OAHLLOKOSA-N 320.198 -0.547 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 584986160 BTPHMHJUUKSIKU-VLQBMKARSA-N 305.114 -0.653 50 20 DBGD CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 585010577 VEUDRQVLEJBADR-LBPRGKRZSA-N 308.118 -0.802 50 20 DBGD CS(=O)(=O)C1(CNCc2ccc(B(O)O)cc2F)CCC1 585038901 JZCRGAXEHRZLSB-UHFFFAOYSA-N 315.175 -0.438 50 20 DBGD Cn1c(CC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)nc2ccccc21 739012845 RYGMDZYETYLFFH-BDAKNGLRSA-N 316.317 -0.016 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 759773755 QIMGSJARJJWNOL-BDAKNGLRSA-N 300.359 -0.214 50 20 DBGD Cc1noc(C)c1C(=O)NNC(=O)CNC(=O)c1cccnc1 764345847 YWMCIOADBBCDND-UHFFFAOYSA-N 317.305 -0.123 50 20 DBGD C[C@@H]1C[C@H](N2CCOCC2)CN1CC(=O)NNC(=O)C1CC1 796373780 CHLXGIZLUPQLAH-YPMHNXCESA-N 310.398 -0.661 50 20 DBGD CC[S@](=O)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 803473257 PHZQSYNXZQLJKI-YBYGRFCBSA-N 306.384 -0.120 50 20 DBGD CCOCCO[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 807383019 YUUMMNCQUXBZLO-LLVKDONJSA-N 302.375 -0.584 50 20 DBGD CC(C)(CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C(=O)O 818624800 RIIWHOXKPXLCEK-GFCCVEGCSA-N 321.399 -0.132 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNc2nc3ccccn3n2)C1=O 824788090 IUIROLMKOJISGQ-MRVPVSSYSA-N 317.309 -0.497 50 20 DBGD CO[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)C(F)(F)F 846640932 XQTOPEBSWPXWDU-QMMMGPOBSA-N 312.292 -0.058 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 848100228 LJPCPZZDQIVEBX-MNOVXSKESA-N 305.334 -0.103 50 20 DBGD CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858702932 QIMPXSVUTHLRSN-GHMZBOCLSA-N 312.370 -0.105 50 20 DBGD C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)c1cn[nH]c1 858704302 HENXOBVGQMZUFR-JGVFFNPUSA-N 315.355 -0.729 50 20 DBGD COCCCn1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860658418 LOIQLEIXWUOVON-VIFPVBQESA-N 324.341 -0.649 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)CCc2cccs2)N1 863414226 XOSDYAHHNQKNMM-VIFPVBQESA-N 317.392 -0.480 50 20 DBGD Cc1c(C(=O)NNC(=O)CS(C)(=O)=O)cccc1[N+](=O)[O-] 863457806 NZPHHRUAMYJTHA-UHFFFAOYSA-N 315.307 -0.291 50 20 DBGD COC(=O)C[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 863875558 AKQYZIPCFZIBRX-JTQLQIEISA-N 309.102 -0.327 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(OC)CCSC1 885755583 MXLCCJWLXQYSLN-QPUJVOFHSA-N 304.368 -0.002 50 20 DBGD CO[C@]1(C(=O)NNC(=O)CN2CCCC2=O)CCSC1 913728897 BTJOPBWXHDFHOU-GFCCVEGCSA-N 301.368 -0.722 50 20 DBGD CCc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n[nH]1 915262204 SWFMGIAWLHPHPC-ZETCQYMHSA-N 300.340 -0.832 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 919960900 KDYOHJSTCDSQLN-UHFFFAOYSA-N 304.284 -0.274 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1120717450 SDQNMXUQEILIIJ-TTZKWOQHSA-N 316.335 -0.771 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCCN(C(N)=O)C1 1318089899 KEGIGJIOSIMBAF-VIFPVBQESA-N 301.347 -0.856 50 20 DBGD C=CCOCCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1318723372 JCWNFBOUOAWZDR-JTQLQIEISA-N 304.368 -0.449 50 20 DBGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccc1F 1321154593 ZBQLOHAFICUYRR-UHFFFAOYSA-N 322.296 -0.189 50 20 DBGD Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)n(C)n1 1323443925 YZKLNYLUUUXQLQ-JTQLQIEISA-N 300.384 -0.166 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(C#N)cn1 1346673045 MLYJUJMGNAPLPW-SNVBAGLBSA-N 321.337 -0.165 50 20 DBGD CNC(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCC1 1579386490 KGLSONSFHJRSQN-UHFFFAOYSA-N 316.325 -0.379 50 20 DBGD O=C(N[C@@H](C[C@@H]1CCCO1)C(=O)O)c1cccc(B(O)O)c1 1601408154 BQTGXZAUDHLZDY-RYUDHWBXSA-N 307.111 -0.882 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)c1cccc(-c2nn[nH]n2)n1 1606862781 KAKDOGVGFKPIKO-UHFFFAOYSA-N 323.280 -0.315 50 20 DBGD CCC(=O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353519 ASASPWMPQIWPAQ-SNVBAGLBSA-N 302.758 -0.231 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 75653907 ZPEBOFPDKBDLGE-UHFFFAOYSA-N 310.329 -0.807 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 76981419 RKSXRQZUNMHECP-GFCCVEGCSA-N 306.370 -0.152 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)Cc1ccncc1 266965036 AMEYIMPYZYUPPS-GFCCVEGCSA-N 321.381 -0.325 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@@H](C(N)=O)O1 268349626 UOWIIQGSGKGGGQ-KOLCDFICSA-N 306.322 -0.384 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC(c2cccnc2)=NO1 276590213 GKHOTCTUQAIJRP-NSHDSACASA-N 319.321 -0.753 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)COCc2ccccc2)O1 280088525 JWPZTHXRUZMJDK-NEPJUHHUSA-N 321.333 -0.617 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cc[nH]n1 496617494 VQXVUWGVRNJANY-UHFFFAOYSA-N 312.330 -0.122 50 20 DBGD O=C(NCCCN1CCCCCC1=O)c1ccc(B(O)O)cc1 584925830 PSAUCTSEVCDAPJ-UHFFFAOYSA-N 318.182 -0.111 50 20 DBGD C[C@@H]1CC[S@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584982118 IOFPZGGTKYRRQF-BTKVJGODSA-N 313.159 -0.511 50 20 DBGD C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(B(O)O)c(F)c1)CCO2 584984990 DXEYSBRMYDSWAF-BONVTDFDSA-N 323.129 -0.475 50 20 DBGD CN1CCC(F)(F)[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 585003940 YQQLFPXUJHCGLP-NSHDSACASA-N 312.125 -0.317 50 20 DBGD CCOCCOc1ccc(S(=O)(=O)NCB(O)O)cc1 585056021 NMYQPMQFSZCCFG-UHFFFAOYSA-N 303.145 -0.608 50 20 DBGD Cc1cccc(N2CCN(CCC(=O)NCB(O)O)CC2)c1 585060236 CBCWHOKYLFACQU-UHFFFAOYSA-N 305.187 -0.365 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C2=NNC(=O)C2)c1 731890427 AQTAMXWWVPJJGO-UHFFFAOYSA-N 304.306 -0.294 50 20 DBGD C[C@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)NNC(=O)C(C)(C)C 744407766 RDLHCFZAKVERIW-VHSXEESVSA-N 319.427 -0.313 50 20 DBGD CN(C)C(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 746008756 UJDCKOGBVLIXTO-AOOOYVTPSA-N 310.354 -0.146 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)Cc1ccncc1 747429663 XSONFECKBWOUDQ-UHFFFAOYSA-N 321.381 -0.772 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCCC2)co1 757635565 VEQRIJRJEISQFL-UHFFFAOYSA-N 301.324 -0.122 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ncc(F)cn1 760905437 IMLJWAKRUSUQNK-QMMMGPOBSA-N 303.319 -0.517 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 764465638 ZTZXWGCICRFBAD-QMMMGPOBSA-N 315.355 -0.648 50 20 DBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1 765678469 TVRGQFUJWNUPMC-NWDGAFQWSA-N 319.365 -0.131 50 20 DBGD CCn1nc(C(=O)NNC(=O)C=NOC)c2ccccc2c1=O 774323478 QYOZSJYSDNOMNC-UHFFFAOYSA-N 317.305 -0.190 50 20 DBGD CNC(=O)[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(C)c1 777560698 ZOTUDWKRMWSDLU-CYBMUJFWSA-N 318.377 -0.034 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1c(F)cccc1F 779847332 YRUIUQRSVLJDGD-UHFFFAOYSA-N 323.277 -0.370 50 20 DBGD Cc1cc(C)n(CC(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)n1 807182691 IMIIIOMBTXVYNM-UHFFFAOYSA-N 318.337 -0.952 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](CO)[C@@H](O)C2)cc1 808751941 QAATXOPZQKBVBT-KGLIPLIRSA-N 321.377 -0.569 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)NC(=O)N1 816830743 SBDQYUSWWNAMNI-JTQLQIEISA-N 315.289 -0.473 50 20 DBGD CS(=O)(=O)CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 826223061 ZVFQPGXEQXACGJ-UHFFFAOYSA-N 310.339 -0.256 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC(=O)N[C@@H](C)C2)cc1 831763923 POMLIBQWLCOWTK-NSHDSACASA-N 304.350 -0.424 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2CCC(=O)N2)cc1 854192181 BDQCMGXXDSMMJN-NSHDSACASA-N 316.317 -0.247 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1 862460892 KXCPBHFRXRZTQB-JTQLQIEISA-N 320.305 -0.702 50 20 DBGD CCc1nnc(S)n1CCNC(=O)c1ccc(B(O)O)cc1 863873219 BDZVGQVUMCZXJM-UHFFFAOYSA-N 320.183 -0.761 50 20 DBGD C[C@H](O)CN(C)NC(=O)CNc1ccc(S(C)(=O)=O)cc1 910141008 OOHWSOHZPVNHBP-JTQLQIEISA-N 315.395 -0.154 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ncc2ccccn12 913729959 FYQHDOJSOQDEGL-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NNC(=O)CCO 1116599939 KRJSYYCPVQNVKN-UHFFFAOYSA-N 323.353 -0.454 50 20 DBGD COC(=O)c1occc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1317725788 HQFOOZJGXRIZQN-VIFPVBQESA-N 314.319 -0.049 50 20 DBGD COc1cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)ccn1 1319171819 RNGPRGRVSRQZCB-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD C[C@@H](C(=O)NNC(=O)NC1CC1)S(=O)(=O)C1CCOCC1 1319380183 MTYAEABABHSXTB-QMMMGPOBSA-N 319.383 -0.539 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1326761794 KVPRIIWNDQNCNM-QMMMGPOBSA-N 300.340 -0.696 50 20 DBGD COCCONC(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1328967417 IUSKRGXZHPRPHT-XVKPBYJWSA-N 309.160 -0.030 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1329711367 BIEWHIMFNFVSKR-LPEHRKFASA-N 304.368 -0.616 50 20 DBGD Cc1c(C(=O)NN(C)[C@@H](C)CO)nnn1Cc1ccncc1 1336010224 CZYLWCILFSKZGH-JTQLQIEISA-N 304.354 -0.013 50 20 DBGD CS(=O)(=O)c1nc(C(=O)NNc2nc[nH]n2)c2ccccn12 1347709776 QLBLYJWTAZOBAQ-UHFFFAOYSA-N 321.322 -0.387 50 20 DBGD O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CC[C@H](B(O)O)C1 1348490101 MXQIJUALKSLRLI-ZDUSSCGKSA-N 323.202 -0.011 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@H]2CCN2)cnn1-c1ccncc1 1579526558 OYWSNLHUCDDWQS-GFCCVEGCSA-N 300.322 -0.301 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)c1ccncc1 1601023359 AQJACWIFQDTXSF-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD CC1(C)C(C)(C)C1(C(=O)O)C(=O)NNC(=O)[C@@H]1COCCO1 1603312001 HWGSADQRCSBATH-QMMMGPOBSA-N 314.338 -0.314 50 20 DBGD O=C(O)CNC(=O)NN=C1C(=O)Nc2cc3c(cc21)OCCO3 1608754055 CERKMDHXJONOID-UHFFFAOYSA-N 320.261 -0.502 50 20 DBGD CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1786616727 PEORCBQVJIZNOM-YFKTTZPYSA-N 304.774 -0.414 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2ccc(=O)n(C)n2)cc1 3423418 FOESZKVDLGRHJO-UHFFFAOYSA-N 302.290 -0.136 50 20 DBGD CCCCNC(=O)NNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 142543930 PKTWLYUNXAXRMK-UHFFFAOYSA-N 320.309 -0.645 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cc(F)c(F)cc1F 190484837 NZQPUXRCAIKDCB-UHFFFAOYSA-N 318.255 -0.249 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)C1CC1 198419375 QMYORZLOUDCVDI-QSFUFRPTSA-N 303.318 -0.649 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ccc(C(=O)OC)cn1 270344746 DDWCJWAPXLLARG-UHFFFAOYSA-N 316.339 -0.749 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1 276319806 WNFCDPYDHQSLAA-UHFFFAOYSA-N 315.351 -0.873 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1nc2ccccn2n1 276824102 JFPCYDHDURVJOJ-UHFFFAOYSA-N 312.355 -0.500 50 20 DBGD O=C(CC1CC1)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 294159326 MZLXODCGAJIIBH-CHWSQXEVSA-N 318.333 -0.095 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)N1C[C@H]2C[C@H]1C(=O)O2 296321753 GUEJOPVVOIBYHM-NEPJUHHUSA-N 319.317 -0.056 50 20 DBGD Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 584940352 SRMXQZNFEYKAEL-LBPRGKRZSA-N 300.127 -0.989 50 20 DBGD Cc1nnc(CNC(=O)c2cccc(B(O)O)c2)n1C1CC1 584971259 NDWQKFJYFWFQRS-UHFFFAOYSA-N 300.127 -0.469 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)CCN1c1ccccc1 585020498 ZFZJROLDZMPHDC-ZDUSSCGKSA-N 300.123 -0.146 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)cc1F)C(=O)N1CCCCC1 585039449 RRYFHYPDFZHSHY-LLVKDONJSA-N 308.162 -0.004 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)N1CCOCC1 728024604 SFJDZBORJSCSNX-UHFFFAOYSA-N 321.399 -0.336 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)[C@H]1COc2ccccc2O1 739453321 FOYDBTRFGGKXPE-SOCHQFKDSA-N 306.274 -0.306 50 20 DBGD COC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCCC1 754651398 YYPSTMXTMWLRJZ-VIFPVBQESA-N 319.383 -0.537 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 764320420 XQMBDKCQUFDEIA-UHFFFAOYSA-N 308.269 -0.180 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCCO1 776225050 OSQATIKJXVDDMS-QWRGUYRKSA-N 308.338 -0.880 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cnn(C)c1C 778541248 BFWGJHQPWTWJNS-MRVPVSSYSA-N 301.372 -0.494 50 20 DBGD C[C@]1(C(N)=O)CCN(CC(=O)NNC(=O)c2cccs2)C1 796580290 JIVQTPFZXBBSRT-ZDUSSCGKSA-N 310.379 -0.294 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1 811853683 JGZJINQFKRYMHX-UHFFFAOYSA-N 314.367 -0.478 50 20 DBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 814547418 ZKBUOSXFNWUSGU-MRVPVSSYSA-N 313.335 -0.768 50 20 DBGD O=C(NCc1cccc(C(=O)O)c1)NNC(=O)[C@H]1COCCO1 821446282 HMBCMDZNMDHDST-LLVKDONJSA-N 323.305 -0.369 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)c2ccccc2O)C1=O 824794822 WZVGAICATTXCLL-SECBINFHSA-N 320.305 -0.516 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1cc(C)[nH]n1)C(C)=O 831419150 VVWPRWYYWBNVAM-VIFPVBQESA-N 310.310 -0.362 50 20 DBGD CC(=NNC(=O)NCC(=O)O)c1ccc(-n2cnnn2)cc1 833384284 GNXDWTNNOOKQLV-UHFFFAOYSA-N 303.282 -0.230 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H](CN)C2)cc1 843369650 RCRBOSMREXEALK-CYBMUJFWSA-N 306.366 -0.584 50 20 DBGD CC(C)[C@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)C(=O)O 848593162 ZHJBZUWAVTUTPQ-VIFPVBQESA-N 314.342 -0.704 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 854922982 VPKXEZXNPVJNRD-ZJUUUORDSA-N 323.378 -0.576 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2ncccn2)[C@@H]2CCCC[C@@H]2N1 854952401 KSVTWDISELGLBS-DCAQKATOSA-N 317.349 -0.068 50 20 DBGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)c1cc[nH]n1 855356067 GKVSBHKUCJFCQR-UHFFFAOYSA-N 307.232 -0.372 50 20 DBGD COC(=O)N1CCC(CNCc2ccc(B(O)O)cc2)CC1 863890450 VCSTYSSHKRFHDG-UHFFFAOYSA-N 306.171 -0.066 50 20 DBGD CC[C@]1(C(=O)NN(C)C(=S)NCCCOC)CCNC1=O 864590870 QGWBXTJHNYGGDL-ZDUSSCGKSA-N 316.427 -0.223 50 20 DBGD COC(OC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 895511571 VVEYKCANMIOIIH-AOOOYVTPSA-N 303.359 -0.748 50 20 DBGD C[C@]1(C(=O)N2CCN(C(=O)CO)CC2)C[C@@H]1Br 907147307 VAPSMTYYTQGYBX-KWQFWETISA-N 305.172 -0.177 50 20 DBGD CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1119084352 QYIPGUQUHKCFGI-PPRQPISWSA-N 318.399 -0.857 50 20 DBGD Cc1nccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)n1 1251401870 JRNWRNDWERXHIW-UHFFFAOYSA-N 306.326 -0.762 50 20 DBGD O=C(NNC(=O)C1CCSCC1)N[C@H]1CCS(=O)(=O)C1 1251808286 YYPSOXWQYSHVPJ-VIFPVBQESA-N 321.424 -0.353 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H](CCSC)NC(N)=O 1261792604 DWWVFFOXYGGKRB-QMMMGPOBSA-N 321.403 -0.857 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCc2c[nH]nc2C1 1319096099 ZFQBWVDSINKEMW-SNVBAGLBSA-N 320.353 -0.780 50 20 DBGD C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1320078657 QLNSMKGHRXSORQ-ZJUUUORDSA-N 312.370 -0.199 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCCC(=O)NC 1320622640 LVRGPCFSSPWIKT-UHFFFAOYSA-N 314.386 -0.255 50 20 DBGD CN(CC(=O)NNc1ncncc1F)[C@@H]1CCS(=O)(=O)C1 1325042654 QQDSHKHWBSGHEG-MRVPVSSYSA-N 317.346 -0.822 50 20 DBGD NC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1 1325520000 UDZJWHNLMFKEHZ-UHFFFAOYSA-N 318.333 -0.400 50 20 DBGD CCn1cc([C@@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 1329174749 HFLOMONQNWFFRZ-PSASIEDQSA-N 308.342 -0.427 50 20 DBGD Cc1cc(=NNC(=O)c2cn(CC(=O)N(C)C)nn2)cc[nH]1 1330226469 LXUXHZKTIICIIW-UHFFFAOYSA-N 303.326 -0.751 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC2(CCNC2=O)CC1 1333072272 XDWABRGFTHBBGO-UHFFFAOYSA-N 310.398 -0.218 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)n1 1350947812 IQJGXWCWKSLARC-SECBINFHSA-N 305.294 -0.861 50 20 DBGD CCOC(=O)[C@H]1CNCCN1C(=O)/C(C#N)=C\c1cnn(C)c1 1577935663 BSHPWGWCGQCNFW-MVXISAMASA-N 317.349 -0.309 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)O)C1 1589416146 ORVQGOUODFDLBI-ZDCRXTMVSA-N 314.338 -0.171 50 20 DBGD CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 1590744464 PQTDWJUPNOCHFQ-MRVPVSSYSA-N 319.325 -0.016 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCCO)cc(-c2nn[nH]n2)n1C 1591816250 QJQXIXFGUPULTI-YHYXMXQVSA-N 301.310 -0.471 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cccc(C(=O)O)c2)nn1 1594530519 ZEUMYTJQVLYEOL-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD O=C(NCC[C@@H]1COc2ccccc2O1)NNC(=O)C(=O)O 1601493797 YICJOKLAURBCKP-MRVPVSSYSA-N 309.278 -0.369 50 20 DBGD CN(C)N(C(=O)[C@@H]1CC[C@H](C(=O)O)C1)[C@@H]1CCS(=O)(=O)C1 1604074946 OQIZZNWDFLWMGE-OUAUKWLOSA-N 318.395 -0.020 50 20 DBGD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2 1843350327 FJZJQYNEMKBRNY-ZETCQYMHSA-N 309.197 -0.721 50 20 DBGD O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NNC(=O)C1CC1 112981533 IEMDYQALWUDJCG-WPRPVWTQSA-N 309.288 -0.069 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)N1CCOCC1 264653203 GZXHXHZFRIYLNB-UHFFFAOYSA-N 311.298 -0.820 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2ccccn2)CC1=O 266795932 QKCAKBWEYPMJCO-NSHDSACASA-N 319.365 -0.747 50 20 DBGD COC(=O)N(C)CC(=O)NNc1ccc(-n2ccnc2)nn1 278545228 FXVDKDPULSWMPI-UHFFFAOYSA-N 305.298 -0.196 50 20 DBGD CC(C)(C(=O)NNC(=O)Cc1cccnc1)N1CCOCC1 283206984 NEIYQRXOFRLLSN-UHFFFAOYSA-N 306.366 -0.118 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NN(C)CCOC)c(C)o1 288161482 CUXPKGXYGGDVFW-UHFFFAOYSA-N 305.356 -0.281 50 20 DBGD CNC(=O)CCCNC(=O)NNc1ccc(-n2cccn2)nn1 298973837 YLRXHOCABCNEII-UHFFFAOYSA-N 318.341 -0.185 50 20 DBGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)N1CCOCC1)CC2 374249929 IIELNCIVEKBKBJ-JTQLQIEISA-N 307.354 -0.402 50 20 DBGD CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)CCCCl 380904648 PSUSIIGNVGXNAI-SECBINFHSA-N 318.848 -0.089 50 20 DBGD COC(=O)N(C)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 495692340 HQGWBRVOFOHTGU-UHFFFAOYSA-N 301.324 -0.394 50 20 DBGD CC(C)c1nncn1CCNC(=O)c1ccc(B(O)O)c(F)c1 584947883 DXCHMAOOAUYJGN-UHFFFAOYSA-N 320.133 -0.350 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(F)(F)[C@@H](CO)C1 584990885 NLARCOAOUCPMKC-SECBINFHSA-N 317.072 -0.405 50 20 DBGD OB(O)c1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)o1 585017407 WRHQSEAKHUFTKN-LLVKDONJSA-N 302.143 -0.492 50 20 DBGD CC(C)(C)C(=O)N1CC[C@H](CNCc2ccc(B(O)O)o2)C1 585040826 KJEYIARLXQMGOL-LLVKDONJSA-N 308.187 -0.056 50 20 DBGD CN1C(=O)C[C@H](C(=O)NCB(O)O)[C@@H]1c1cccc(Cl)c1 585059333 JSNMIQTZDIHWND-JQWIXIFHSA-N 310.546 -0.012 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](COCCOC)C1 744416760 FYFXFFQOHYQMJQ-VXGBXAGGSA-N 301.387 -0.083 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)N1CCCC1 748247905 ZSFIXCFWROZSJD-UHFFFAOYSA-N 309.297 -0.026 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1C1CCCC1)C(=O)NC1CC1 749184161 MOMLMMJXEMAXLJ-LBPRGKRZSA-N 308.382 -0.181 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CCN(C)CC2)nc1 759737782 BEMNJIQTDVUFOW-UHFFFAOYSA-N 307.354 -0.441 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)cc1OC 760234325 GAMNDOCJNJMUMW-SNVBAGLBSA-N 321.333 -0.009 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1Cl 764421869 ODUPFVCDKPPGKX-UHFFFAOYSA-N 315.713 -0.183 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 771858274 KMJNMWKFJBGBSI-SKDRFNHKSA-N 319.317 -0.548 50 20 DBGD CN1CCN(CC(=O)NNC(=O)NC2CCCCC2)CC1=O 780162557 YXOYRJAKLXSXFU-UHFFFAOYSA-N 311.386 -0.577 50 20 DBGD COc1cccc(NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)n1 781024414 YVAPBHSHTSRHMI-QPUJVOFHSA-N 308.338 -0.191 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1nc2ccccn2n1 791259131 WPPSQLQKUWAYLR-UHFFFAOYSA-N 315.293 -0.887 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)N2CCOCC2)cc1 811640478 TUGIMTUKBOFRKI-UHFFFAOYSA-N 312.351 -0.290 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)NC1CCCC1 813426390 FSOZILZKLNBRCZ-JTQLQIEISA-N 300.359 -0.608 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@H](C(=O)O)[C@@H](C)C1 814835068 GDICBYRWRJJNCM-NRPADANISA-N 319.383 -0.083 50 20 DBGD C#C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 820605367 NEVGZDRIZQGGKJ-GFCCVEGCSA-N 300.318 -0.030 50 20 DBGD CCN(CCO)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 823879106 FAJIUVVTAWQLOD-INIZCTEOSA-N 321.377 -0.261 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCO1 827287687 GJMJQFFITISTDE-DCAQKATOSA-N 301.343 -0.501 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860981655 XEZKOZKZVWFCFD-RKDXNWHRSA-N 324.341 -0.478 50 20 DBGD CCOC(=O)c1cnc(NC(=O)NNC(=O)c2cn[nH]c2)n1C 861093963 KLKYVHPNDPWCQG-UHFFFAOYSA-N 321.297 -0.214 50 20 DBGD C[C@H](OCC1CC1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 920773314 MXTMJSKPQCGKCQ-WPRPVWTQSA-N 304.368 -0.616 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ncoc1C 1254152856 GCTLSWHEXPAWHN-VIFPVBQESA-N 300.315 -0.135 50 20 DBGD Nc1cnnc(NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1Cl 1319777374 QJPRNUFTSVTCFF-LURJTMIESA-N 319.774 -0.020 50 20 DBGD CS(=O)(=O)CC(=O)NNc1cccc(S(C)(=O)=O)c1 1319848934 CPNNMZGMUOZYSQ-UHFFFAOYSA-N 306.365 -0.422 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NN(C)C(N)=O)ccc1OC 1319972018 DNTKKBNLIAZNAK-UHFFFAOYSA-N 316.339 -0.741 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C[C@H]2CCOC2)CC1 1319994916 JATNZNOCVXDKIY-CHWSQXEVSA-N 312.414 -0.414 50 20 DBGD Cc1cc(C(=O)NN=C2CCC3(CC2)NC(=O)NC3=O)n[nH]1 1320229588 LFIUAFVNFOJTNU-UHFFFAOYSA-N 304.310 -0.044 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccccc1 1320931622 XAPVZSLJOCJJIC-UHFFFAOYSA-N 304.306 -0.605 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)C2CCNCC2)n1 1348943405 LGYIYBSUFOUBNG-UHFFFAOYSA-N 309.374 -0.564 50 20 DBGD CNC(=S)N(C)NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1591216313 XCKVNBCIRVPOLX-UHFFFAOYSA-N 305.367 -0.124 50 20 DBGD Cc1cccnc1NNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1592264448 YDUJRUMAGUFESY-QMMMGPOBSA-N 314.313 -0.134 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)o1 1594347075 SAZQUBCCDBILCY-VIFPVBQESA-N 323.305 -0.328 50 20 DBGD CNS(=O)(=O)NCC(=O)NNc1cccc(F)c1C(=O)O 1598671441 QMLICFOZYYXOAR-UHFFFAOYSA-N 320.302 -0.979 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)c(F)c1 1600482497 BRKSPYZIARDFQG-UHFFFAOYSA-N 305.287 -0.289 50 20 DBGD CC(C)C(=O)NNC(=O)Cn1cc(C(=O)O)cc(C#N)c1=O 1603706458 UNOYPUZVNWWTKU-UHFFFAOYSA-N 306.278 -0.778 50 20 DBGD CC(C)C[C@H](NC(=O)CNS(=O)(=O)CCl)C(=O)O 1603841529 HWFOOMBFUMRFJL-ZETCQYMHSA-N 300.764 -0.282 50 20 DBGD CC[C@H](C(=O)O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1609885901 AHPRSZMGEPAZFQ-ZETCQYMHSA-N 303.315 -0.231 50 20 DBGD CO[C@@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 54859325 TZDJWFWUUTWOQQ-QMMMGPOBSA-N 304.306 -0.271 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 114158629 BZKWSDLIUQISGI-ZDUSSCGKSA-N 318.377 -0.142 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnn(-c2ccccc2)n1 186151585 PVSSOBSCJOMQTN-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1CCCC(=O)N1 270337538 ZMHOXCJGFKLHTB-QMMMGPOBSA-N 324.362 -0.706 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)Cc1cccnc1 276946327 QZLUFNWEGWHNLH-JTQLQIEISA-N 307.354 -0.179 50 20 DBGD O=C(NCCCN1CCCC1=O)c1ccc(B(O)O)c(F)c1 584924302 SFDAOQSGYQHHTJ-UHFFFAOYSA-N 308.118 -0.752 50 20 DBGD Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)CC2 584938762 BMAKDJJNNRPWQC-JTQLQIEISA-N 318.117 -0.850 50 20 DBGD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1 584947406 PEBBDKYCAUDHDR-GXTWGEPZSA-N 318.182 -0.257 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(n2cnnc2O)CC1 584985181 HYWGCAAYJKJAGD-UHFFFAOYSA-N 316.126 -0.859 50 20 DBGD C[C@H]1[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)CC[S@]1=O 584985670 OHUOHOBXJJTXME-KRNBLGIKSA-N 313.159 -0.513 50 20 DBGD O=C1CC[C@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@@H]2N1 585008164 UFGJJLCEXBEPHX-AAEUAGOBSA-N 302.139 -0.893 50 20 DBGD CC(=O)N1CC[C@](C)(c2nc(-c3cccc(B(O)O)c3)no2)C1 585053251 JOGPYZJILRJTKU-HNNXBMFYSA-N 315.138 -0.074 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1 728437270 OPWOMOLBDYLXSJ-ZCFIWIBFSA-N 304.284 -0.424 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)c1ccccc1F 729157752 INSCKXLJMCAFLL-UHFFFAOYSA-N 319.383 -0.021 50 20 DBGD CCCNC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 733194845 QYIYDJOWIUEKFE-GFCCVEGCSA-N 310.398 -0.218 50 20 DBGD CCOC(=O)/C(C#N)=C\NNC(=O)CNC(=O)c1cccnc1 763109052 QXCOJCTUCWYYGP-FLIBITNWSA-N 317.305 -0.597 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 773671682 AAENJSLRBBHAOG-UHFFFAOYSA-N 316.365 -0.135 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NNc2ncc(F)cn2)n1 775643846 YEZZACMSUAWPOC-UHFFFAOYSA-N 323.292 -0.556 50 20 DBGD COC(=O)[C@@H](CO)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C 777819343 OOGJZCSRVYWGMA-XFVCYKSVSA-N 316.317 -0.238 50 20 DBGD CC(=O)N1CC(C(=O)NNc2ccccc2S(N)(=O)=O)C1 788227688 FXFNPMMAKREDHQ-UHFFFAOYSA-N 312.351 -0.745 50 20 DBGD CC(C)C(Cn1cccn1)=NNC(=O)[C@H](C)NS(C)(=O)=O 802711774 XRQJBKKXXHVTSE-JTQLQIEISA-N 315.399 -0.051 50 20 DBGD O=C(C[C@H]1CCC(=O)N1)NNC(=O)c1ccc2c(c1)OCCO2 816831245 LRKISZYNROZVDT-SNVBAGLBSA-N 319.317 -0.113 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNc2ncncc2Cl)C1=O 823905754 LCKLXKRORFCABE-ZETCQYMHSA-N 312.717 -0.097 50 20 DBGD CCC[C@H](C(=O)NNC(=O)NC1CCCC1)S(N)(=O)=O 824349086 HIQNTHAEIZLGDY-SECBINFHSA-N 306.388 -0.283 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1cnc2ccccc2n1 832211941 HHGIFQFTAGVZJO-UHFFFAOYSA-N 324.366 -0.531 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccccc1C(=O)O 833397079 VUTOOLNFUVSZKV-UHFFFAOYSA-N 308.294 -0.920 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CS(=O)(=O)C1CCCC1 843643837 JETJEFVKUQHQQB-KOLCDFICSA-N 318.395 -0.084 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 846123339 WYFUJTBOKJEKIX-QMMMGPOBSA-N 314.273 -0.959 50 20 DBGD Cc1nn(CC(=O)NNC(=O)NCc2ccco2)c(=O)n1C 847391170 SOQCCEXWYPILTQ-UHFFFAOYSA-N 308.298 -0.986 50 20 DBGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1CCNC1 851672334 BWQAOGOZEMWEMV-ZETCQYMHSA-N 309.282 -0.394 50 20 DBGD CCOC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CCO1 858571362 FFKGHMLRCXNRFC-WOPDTQHZSA-N 315.370 -0.111 50 20 DBGD C[C@@H]1CCSCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858699225 MFLKWTVTBXBBGA-RKDXNWHRSA-N 300.384 -0.167 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCc3c(O)cccc3C2)N1 858701502 LIYQTJRKTFUTLR-LLVKDONJSA-N 318.333 -0.230 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cnn(CC3CC3)c2)N1 860710549 YLXOKZFTRSQHQK-SNVBAGLBSA-N 306.326 -0.276 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(=O)n(C)c1 860790612 AEAHISYQEKNJCJ-MRVPVSSYSA-N 307.310 -0.875 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCc1ccc(O)cc1 863464103 GVNCYKDPLRUYGN-UHFFFAOYSA-N 300.336 -0.483 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cn2c(n1)CCCC2 863466048 LQHSGFIXDYYYPK-UHFFFAOYSA-N 300.340 -0.975 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCc2cn[nH]c2)C[C@@H](C)O1 863854073 ITCBITLFNOHGOC-VXGBXAGGSA-N 323.397 -0.011 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1=O 899977088 LFWBLVPFAKZMSO-GFCCVEGCSA-N 320.349 -0.629 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CS(C)(=O)=O)cc1C 919684099 XIZCETDUOGITNJ-UHFFFAOYSA-N 314.363 -0.126 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC2CC2)cc1S(N)(=O)=O 920766767 NOSFUXCCVZVSSA-UHFFFAOYSA-N 312.351 -0.251 50 20 DBGD O=C(NNS(=O)(=O)c1cccc2nonc12)c1cnccn1 1319748765 AEUUEJBJSMDBRU-UHFFFAOYSA-N 320.290 -0.364 50 20 DBGD Cn1ccc(NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 1321388271 HXJQVUKYRGGADK-FUAUIPCOSA-N 319.321 -0.974 50 20 DBGD Nc1cnnc(NNC(=O)NCCN2CCOCC2)c1Cl 1323965124 WBFWNIRUZBOUKW-UHFFFAOYSA-N 315.765 -0.330 50 20 DBGD CCn1nc(C)c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)n1 1324292983 YZULZFAXFHLRAD-SNVBAGLBSA-N 315.399 -0.288 50 20 DBGD CS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)CCO)cc1 1325582366 HNAFSKWHNFOORO-UHFFFAOYSA-N 316.339 -0.407 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CC[C@@H]1NC(=O)NC1=O 1328273069 LUNVGSCTGYUJMT-JTQLQIEISA-N 320.305 -0.096 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)N1 1328789450 QMYZHPHQAAGZDJ-AXFHLTTASA-N 310.354 -0.447 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1=O 1329910821 IGYUJTAYIYTJKA-MRVPVSSYSA-N 323.284 -0.688 50 20 DBGD COC(=O)[C@@H]1CNCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1 1578797693 SNYBCVLOPZGLDY-TZQNSNDFSA-N 317.349 -0.309 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]([C@@H]2CCNC2)C1 1580818840 RODLERHIHSXZCR-ZIAGYGMSSA-N 302.183 -0.172 50 20 DBGD CC(C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1589724524 QKRLWBQBOZDEQT-UHFFFAOYSA-N 305.298 -0.075 50 20 DBGD Cn1c(C(=O)NNc2ncncc2F)ccc1-c1nn[nH]n1 1592549903 PBPAPPQNHYLTQT-UHFFFAOYSA-N 303.261 -0.109 50 20 DBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)ccc1F)c1cc[nH]n1 1593157281 FNMDMYSJRRUFMU-UHFFFAOYSA-N 316.256 -0.196 50 20 DBGD O=C(NNC(=O)c1n[nH]cc1F)c1ccc(-c2nn[nH]n2)cc1 1606854532 WHOVWZJDWFWCBT-UHFFFAOYSA-N 316.256 -0.196 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cscc1-c1nn[nH]n1 1609558081 NUAXWDSBBKLBOJ-UHFFFAOYSA-N 323.338 -0.385 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 127569355 YZTBDMIWJFHXNN-UHFFFAOYSA-N 314.305 -0.027 50 20 DBGD C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1Cl 173296376 XXASSBFBNCDWSI-VIFPVBQESA-N 324.768 -0.079 50 20 DBGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N(C)CC(F)(F)F 193030165 VCLNWAWLTIGUFI-MRVPVSSYSA-N 324.303 -0.361 50 20 DBGD CC(C)(C)C(=O)NNC(=O)c1cc(N2CCNC(=O)C2)ccn1 276369994 WZJHPDFEIZMBPE-UHFFFAOYSA-N 319.365 -0.175 50 20 DBGD CC(C)(C(=O)NNC(=O)Cc1ccncc1)N1CCOCC1 283334413 WVPASYRNGTUHBR-UHFFFAOYSA-N 306.366 -0.118 50 20 DBGD CCN1C[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CC1=O 286763107 VTNCUJCLKYXOMR-SNVBAGLBSA-N 315.337 -0.026 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)C(=O)N1CCCC1 299598426 VCIDZKQHIMBFIS-UHFFFAOYSA-N 305.334 -0.027 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1=O 365831276 AAHRWRUDKYCIFM-JTQLQIEISA-N 319.365 0.015 50 20 DBGD O=C(N[C@H]1CCCn2ncnc21)c1ccc(B(O)O)c(F)c1 584960937 OBMBTDNQSHRMRW-NSHDSACASA-N 304.090 -0.638 50 20 DBGD CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584979503 VVMKNMKOIHDVSI-CYBMUJFWSA-N 322.145 -0.508 50 20 DBGD CCN1C[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 585002665 CDPQOXFEHDUAHR-SECBINFHSA-N 308.118 -0.896 50 20 DBGD CN1C(=O)c2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc2C1=O 585075097 PWQHRVQYBXBJHG-VIFPVBQESA-N 302.095 -0.399 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC1(Cl)Cl 728381978 SKAVQNFUIBKWON-WDSKDSINSA-N 315.178 -0.238 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2nccn2C)n1 728753406 QHDIIMLUFHXNBO-UHFFFAOYSA-N 305.342 -0.236 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)CC(=O)O)n1 738815131 BGUOAUZJVKLPOE-UHFFFAOYSA-N 300.340 -0.842 50 20 DBGD C[S@](=O)CCNC(=O)NNc1ccc(-n2cccn2)nn1 745845410 QCPOQGNYSBWYGD-NRFANRHFSA-N 309.355 -0.333 50 20 DBGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNc2ccccn2)C1 753106868 ZUKXVLCHBMKMAK-JTQLQIEISA-N 313.383 -0.011 50 20 DBGD CS(=O)(=O)N1CCN(C(=O)NNC(=O)C2CCCC2)CC1 753343814 KDIKWWOUOJLGDC-UHFFFAOYSA-N 318.399 -0.505 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CSCC(F)(F)F 761220617 PPOHUGPOWCMVJF-UHFFFAOYSA-N 301.290 -0.046 50 20 DBGD CN(NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(N)=O 770439314 AJQODTPBJKICEZ-UHFFFAOYSA-N 312.351 -0.118 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@H]1COC2(CCOCC2)O1 776938171 GBAJZYHFKUECGP-JTQLQIEISA-N 301.343 -0.105 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1COCCN1CC(F)F 806808495 GHEOJXGKYLRXGO-SECBINFHSA-N 317.296 -0.935 50 20 DBGD C[C@](O)(C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CCC1 813480867 YZZCYVMAKIALHD-CQSZACIVSA-N 306.322 -0.281 50 20 DBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cnn(C)n1 817054605 QAJGTFPJNIEBMT-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)CC(C)(C)C 821154236 MMNWOQXSLDQKKR-RKDXNWHRSA-N 321.399 -0.435 50 20 DBGD O=C(O)Nc1ccccc1C(=O)NNC(=O)[C@@H]1COCCO1 833287446 HZLVCJCHYSOJRX-JTQLQIEISA-N 309.278 -0.047 50 20 DBGD Cn1c(NNC(=O)[C@H]2CCS(=O)(=O)N2)nc2ccccc21 848381056 FVXZXRVIMDQTNZ-SECBINFHSA-N 309.351 -0.292 50 20 DBGD O=C1NCC[C@@H]1C(=O)NNc1ncc(Br)cn1 855053498 ITRIALILDYEPAX-LURJTMIESA-N 300.116 -0.182 50 20 DBGD C[C@@H](C(=O)NNC(=S)NCC1CCC1)N1CCN(C)CC1 855091271 JNWVXDHMJMAXPJ-NSHDSACASA-N 313.471 -0.082 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)c1cccc(F)n1 856422257 QBZRWGWOMMEMSZ-UHFFFAOYSA-N 323.284 -0.686 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC[C@H]2CCCCO2)N1 858362164 QAQZTYMXUWTHDO-GHMZBOCLSA-N 312.370 -0.055 50 20 DBGD Cc1cccc(CCCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 858446008 FOSUKVUNMJPLBJ-GFCCVEGCSA-N 319.365 -0.068 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-c2nnnn2C)cc1 861458483 ZBJAYSCPNNSOOM-UHFFFAOYSA-N 318.341 -0.409 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccco1 863866881 MFBDTUGKZOUXKV-IWSPIJDZSA-N 315.351 -0.532 50 20 DBGD CC(C)n1c(S)nnc1CNC(=O)c1cccc(B(O)O)c1 863874211 OPEWSXZGEQSPNP-UHFFFAOYSA-N 320.183 -0.243 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)c1c(C)nc2ccccn12 919693756 BJQQXHCLWBFNTN-UHFFFAOYSA-N 324.362 -0.162 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCc2c(nnn2C)C1 1118393124 AUGZWCSYZUESAW-GUBZILKMSA-N 322.369 -0.572 50 20 DBGD O=C1C[C@H](C(F)(F)F)[C@H](C(=O)N2CC[C@H](B(O)O)C2)CN1 1119606299 DIGOWHQZPKMYRP-RNJXMRFFSA-N 308.065 -0.624 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1120717451 SDQNMXUQEILIIJ-UJICNMFASA-N 316.335 -0.771 50 20 DBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cn2n1 1261202975 JWMHHAOVWRHZFY-UHFFFAOYSA-N 316.321 -0.076 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1cn2cccc(C)c2n1 1319011912 BRBZZVFFLKSATO-UHFFFAOYSA-N 319.321 -0.311 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@@H]3COCCO3)nc21 1319276404 LHXACHNJXHLHLU-SSDOTTSWSA-N 323.313 -0.890 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319404224 LHYGIYJOHOBDQP-SECBINFHSA-N 312.351 -0.479 50 20 DBGD CCNC(=O)NNC(=O)c1n[nH]cc1I 1320439935 VBPZKKRESLCDAC-UHFFFAOYSA-N 323.094 -0.022 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)nc1 1320712252 YMBOUHBYTPUYDV-UHFFFAOYSA-N 324.293 -0.872 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(-n2cncn2)nc1 1322555896 RRDJBQBWLOVSOH-UHFFFAOYSA-N 303.351 -0.043 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(OC(=O)NC)c1 1324288822 RLIUXBJSAOXZFC-UHFFFAOYSA-N 308.294 -0.099 50 20 DBGD O=C(CCn1cnc2sccc2c1=O)N1CC[C@@H](B(O)O)C1 1329294002 VGFORZWUOXBIMP-SECBINFHSA-N 321.167 -0.077 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331881192 HAJKGNFVRVBYFI-GZMMTYOYSA-N 305.338 -0.734 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NN(C)[C@H](C)CO)CC1 1336010529 HJXSYJHPRMBZJQ-SNVBAGLBSA-N 307.416 -0.608 50 20 DBGD Cn1nccc1NC(=O)C(=O)NNC(=O)c1ccccc1F 1337960528 FQWMKPAISHWONY-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD CN(C)c1ncc(C=NNC(=O)Cc2cc(O)nc(O)n2)cn1 1343882705 SMLXFJVTAXUMBX-UHFFFAOYSA-N 317.309 -0.563 50 20 DBGD COCCCNC(=O)NNC(=O)C[C@H]1CCCS(=O)(=O)C1 1347646355 GWRSNDUNEZRGDY-SNVBAGLBSA-N 321.399 -0.432 50 20 DBGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCN1 1578226228 ZTUQWTYHCMJVNX-RKDXNWHRSA-N 300.359 -0.201 50 20 DBGD CN(NC(=O)C1=CS(=O)(=O)CCC1)C(=O)N1CCNCC1 1578506035 DNXJUPTVNFIMNQ-UHFFFAOYSA-N 316.383 -0.933 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)C1=NO[C@@]2(CCNC2)C1 1580573663 NDKPVHDEBVREDF-AWEZNQCLSA-N 303.322 -0.720 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1591764996 JKRLUKMFVQQHMM-BNICOGTQSA-N 302.308 -0.859 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C(=O)O)C1CCCC1 1594017938 GJCYPYAPJCVOND-NSHDSACASA-N 302.327 -0.312 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C(=O)O)CC2)cc1 1594368759 RZNDUZSWBRQQMJ-UHFFFAOYSA-N 305.290 -0.054 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CC[C@@H]1C(=O)O 1599227242 SBMYNQKPBVDKQJ-BDAKNGLRSA-N 303.384 -0.029 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cccc(CC(=O)O)n2)cn1 1600932869 UQXKGASDEQKORU-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc(C(=O)O)nc2)N1 1602638137 LGXCKTJWVGWAFP-ZETCQYMHSA-N 307.266 -0.789 50 20 DBGD C[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1801951278 AZIQQMGKRBJJFY-KAMPLNKDSA-N 304.774 -0.395 50 20 DBGD O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845065586 SDLLEWGVLNAQQS-GUBZILKMSA-N 319.764 -0.553 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc2c(c1)OCCO2 32836794 JDNBNXCJBCSXAV-GFCCVEGCSA-N 308.290 -0.366 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1ccccc1F 47666143 ULNYUWLKZWRENS-UHFFFAOYSA-N 303.315 -0.474 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(N)=O 263658510 DUMJGCOSTJLPIF-QMMMGPOBSA-N 312.301 -0.201 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C[C@@H]1CCCCO1 268711948 VUCZPBJZCVVKJP-LBPRGKRZSA-N 320.349 -0.082 50 20 DBGD O=C(CN(CCO)C1CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 297882317 NLUFSUBIFGJHQW-UHFFFAOYSA-N 322.321 -0.188 50 20 DBGD COC(=O)NCCC(=O)NNc1nccc(N2CCOCC2)n1 493426435 MZUIREQKKAVERN-UHFFFAOYSA-N 324.341 -0.498 50 20 DBGD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584947407 PEBBDKYCAUDHDR-JSGCOSHPSA-N 318.182 -0.257 50 20 DBGD CC(C)OC[C@@H](CO)N(C)C(=O)c1cc(B(O)O)ccc1F 584984227 YSNSEISBYCXINH-LLVKDONJSA-N 313.134 -0.637 50 20 DBGD C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(B(O)O)c1)CCO2 584985906 SDYNOCCKTSQYJD-NHYWBVRUSA-N 305.139 -0.614 50 20 DBGD O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@@H](B(O)O)C1 585074570 BCASHDSLSCPNKF-QWHCGFSZSA-N 323.202 -0.011 50 20 DBGD COCc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764210401 DNINJRFLPFVGPY-UHFFFAOYSA-N 308.338 -0.520 50 20 DBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)C(C)(C)O 768255303 IABLQMXFBMTPDP-UHFFFAOYSA-N 319.339 -0.924 50 20 DBGD CS(=O)(=O)[C@H]1CCCC(=NNC(=O)C(=O)NC2CC2)C1 788422514 GRBNVBWLGGFGQW-JTQLQIEISA-N 301.368 -0.276 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2nnnc2C(C)C)n1 794084913 JNKRDPKPIRJIIH-UHFFFAOYSA-N 303.326 -0.039 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 800687990 LAVNFZFDUBJKNH-RKDXNWHRSA-N 310.358 -0.627 50 20 DBGD C[C@H]1CSC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 807475810 OOQINKKJORJGEZ-DTWKUNHWSA-N 300.384 -0.309 50 20 DBGD Nc1c(C(=O)NNC(=O)c2cnn[nH]2)cnn1-c1ccccn1 815443429 XCIRMNVCKDHTKB-UHFFFAOYSA-N 313.281 -0.958 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1CCCS(=O)(=O)C1 816971057 RYFDHESTXHSDMK-QMMMGPOBSA-N 300.340 -0.247 50 20 DBGD CN1C(=O)CS/C1=C\C(=O)NNC(=O)NCC(F)(F)F 822671756 PNJFGSQUKTXWTL-UQCOIBPSSA-N 312.273 -0.074 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](N2CCCC2=O)C1 827275629 WPMBJZXPMRXKHM-TUAOUCFPSA-N 324.381 -0.151 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](n2cncn2)C1 827284075 UCNUDOSJPDAPFS-HBNTYKKESA-N 308.342 -0.309 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(NS(C)(=O)=O)nc1 860668355 PUCODKORZXDIEA-UHFFFAOYSA-N 315.355 -0.241 50 20 DBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CC2CC2)C1 861840873 LYWYOIMGCBGLDV-JTQLQIEISA-N 303.384 -0.395 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3C2)N1 862449909 LWSXUDJNHBYBMM-GHMZBOCLSA-N 303.318 -0.336 50 20 DBGD O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1CCC(=O)N1 862451026 GZXWSDSPTANNIJ-JTQLQIEISA-N 322.277 -0.600 50 20 DBGD CCCCn1cc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)n1 863464640 KAYVVXADZIFPPH-UHFFFAOYSA-N 316.383 -0.203 50 20 DBGD COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 864231795 SMPSOHBSLSMLIU-SSDOTTSWSA-N 319.169 -0.228 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NN(C)[C@@H](C)CO)C1 911445155 NJRMPAHFKCETKW-NWDGAFQWSA-N 301.387 -0.395 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccccc2O)c(O)nc1=O 915057911 LCOXRZSNAWIJEL-UHFFFAOYSA-N 304.262 -0.734 50 20 DBGD CC(C)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 915776066 VWVZYSPUGCHKCN-UHFFFAOYSA-N 317.342 -0.093 50 20 DBGD COCCOCCCCNC(=O)NNC(=O)c1cnn(C)c1 1116083563 KOYHIWQJWNTBPD-UHFFFAOYSA-N 313.358 -0.193 50 20 DBGD Cc1cnn(C)c1C=NNC(=O)CSc1nnc(O)nc1O 1117127304 FZUXRJQTOFHVEA-UHFFFAOYSA-N 323.338 -0.433 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 1118858621 OKTCVMRGELIQQQ-VXGBXAGGSA-N 320.349 -0.017 50 20 DBGD CCCNC(=O)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1 1122097534 QIEQPSJPEJNFGX-ZJUUUORDSA-N 300.359 -0.199 50 20 DBGD NC(=O)N[C@@H](CC(=O)N1CC[C@H](B(O)O)C1)c1ccccc1 1261844359 LQALFMCRARIWOD-RYUDHWBXSA-N 305.143 -0.139 50 20 DBGD CC(C)C(=O)NNC(=O)NCCCN1C(=O)NC(C)(C)C1=O 1263135676 DNECPOIELLYZOH-UHFFFAOYSA-N 313.358 -0.307 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1317906476 KUCBRAKKXDMLAX-LLVKDONJSA-N 311.363 -0.485 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 1321140747 PKPMASPUQZOTRC-UHFFFAOYSA-N 308.338 -0.267 50 20 DBGD COC(=O)CN(C)CCNS(=O)(=O)CBr 1322597110 PQBMNCLSRCMPHX-UHFFFAOYSA-N 303.178 -0.637 50 20 DBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326716382 UXRAFLMEHGFIKQ-IYSWYEEDSA-N 304.328 -0.700 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1ccccc1F 1327443168 NJLLCXRLLBAPGI-UHFFFAOYSA-N 308.269 -0.471 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1330108779 RGYMGOCNJBALKH-JTQLQIEISA-N 304.306 -0.914 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCNC(=O)C(C)(C)C)cn1 1330234233 FAFSYHZIUIJALX-UHFFFAOYSA-N 310.358 -0.474 50 20 DBGD COc1ccccc1C(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1348387416 LWEZIMGVFMMWNM-SECBINFHSA-N 305.290 -0.696 50 20 DBGD CO[C@@]1(C(=O)NN[C@@H](C)C(F)(F)F)CCS(=O)(=O)C1 1350817646 FCQHAZSJCYOCCD-XPUUQOCRSA-N 304.290 -0.238 50 20 DBGD O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)[C@H]1CCC(=O)N1 1574513906 OEYJHJAXFXIOMA-ZTHSNPKKSA-N 307.262 -0.583 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2coc(/C=C/C(=O)O)c2)CC1 1593780636 AGCFGDNHAFVFBI-NSCUHMNNSA-N 322.321 -0.021 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1594646752 ZXQDDAHKVFXXST-LMLFDSFASA-N 314.338 -0.029 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1596862076 MPKGFYVZLMCFKG-TTZKWOQHSA-N 316.335 -0.469 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(C(=O)O)n1 1601312246 GBNBNXFOACHQIV-UHFFFAOYSA-N 306.278 -0.837 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cnc2ccccc2c1 1601635988 SNBDDLADFIGIMD-UHFFFAOYSA-N 302.246 -0.595 50 20 DBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1602852289 JZSFCTCKTSIZJY-SECBINFHSA-N 322.321 -0.086 50 20 DBGD O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1cccc(B(O)O)c1 1605729090 GPFOFGJUESKAAC-ZDUSSCGKSA-N 314.106 -0.813 50 20 DBGD CC(C)CN1CCC[C@H](CNC(=O)NNC(=O)C(=O)O)C1 1609698780 ADLWYYUQIIATHT-SNVBAGLBSA-N 300.359 -0.231 50 20 DBGD O=C(Cc1cccc(F)c1)NCC(=O)NNC(=O)[C@@H]1CCCO1 53050087 KPXPQAIPRSHZMI-LBPRGKRZSA-N 323.324 -0.189 50 20 DBGD Cn1c(=O)[nH]c2ccc(C(=O)NNC(=O)[C@@H]3CCCO3)cc21 157868844 DDVKLYVNYQHYHC-NSHDSACASA-N 304.306 -0.193 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1F 264095765 GSQYXNSWQPTAAE-ZETCQYMHSA-N 318.330 -0.084 50 20 DBGD CC(C)COC[C@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584961970 DCIUHRALWUXFIG-LLVKDONJSA-N 313.134 -0.731 50 20 DBGD CN1CCN(c2ccc(NCc3ccc(B(O)O)o3)nc2)CC1 585017356 VHRCSICEGPZLLN-UHFFFAOYSA-N 316.170 -0.282 50 20 DBGD CCN(CC)S(=O)(=O)CCNCc1cccc(B(O)O)c1 585023941 OJECLKDTRCLPHN-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD CN(C)C1CCN(CCNCc2ccc(B(O)O)cc2)CC1 585035045 XPVWUHRJERLNGP-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1n[nH]c2c1CCC2 740851381 CBHNYGPKZKCPIV-UHFFFAOYSA-N 307.354 -0.036 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1nnn(-c2ccccc2)c1=O 742451217 NSIPKXIXIIBMGK-UHFFFAOYSA-N 318.337 -0.378 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccc([N+](=O)[O-])cc2)C1=O 747985886 LSBXYTJZBIQQMS-UHFFFAOYSA-N 321.249 -0.542 50 20 DBGD CCOC(=O)Cc1csc(NC(=O)NNC(=O)CO)n1 755360235 FFGQJUILEHZOGE-UHFFFAOYSA-N 302.312 -0.606 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1N 757709629 UASDTEKOJFLWHO-UHFFFAOYSA-N 304.266 -0.015 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)C2CCC2)O1 774776052 PCPIHURSRNMYMX-GHMZBOCLSA-N 312.370 -0.247 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CNC(=O)CNC(C)=O 777773713 VZWGCIXYHOBMEQ-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD COC1(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC1 792317304 QZGMJLUGTVZNJA-MRVPVSSYSA-N 307.372 -0.969 50 20 DBGD Cn1cncc1CC(=O)NNC(=O)CNC(=O)c1cccs1 806735551 AAGLARAFKGCSKO-UHFFFAOYSA-N 321.362 -0.399 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2CCCS(=O)(=O)C2)n1 816859946 QVRFZFJGVFGJFM-QMMMGPOBSA-N 300.340 -0.247 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)CO1 825847919 QUMGPCYXZBFPAA-DTWKUNHWSA-N 310.310 -0.483 50 20 DBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)C1CCC1 827215746 DFBWYSUOZSLVGA-UHFFFAOYSA-N 312.351 -0.250 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1CCCCO1 833243421 SNLRYOHRJFCNKM-VIFPVBQESA-N 309.282 -0.098 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1=O 843648542 XWAMURAZXGOBNK-GMTAPVOTSA-N 313.354 -0.946 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 843659005 GYBRDLBMKALVFV-IUCAKERBSA-N 306.384 -0.228 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(n2cnnn2)CCCCC1 844620152 RIBKCCNLTKDSFM-GHMZBOCLSA-N 322.369 -0.095 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)CC2 845353914 KWAAABPXPXJXCW-NSHDSACASA-N 319.365 -0.476 50 20 DBGD COC(=O)N(C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 848055941 JRWMZIHNQGRAOC-UHFFFAOYSA-N 307.372 -0.223 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853387885 SKWLDPNPWBNKMO-MNOVXSKESA-N 303.384 -0.614 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 854929713 OWQLLORIEZURPO-UUTMEEIUSA-N 322.390 -0.739 50 20 DBGD Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 858209897 CBENAYCGVJYVFV-LLVKDONJSA-N 305.338 -0.458 50 20 DBGD CC(C)CSCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858322322 SXLLWECIYUJTCS-VIFPVBQESA-N 302.400 -0.015 50 20 DBGD CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cn[nH]c1 862472347 KRDHPXHXUANABF-JTQLQIEISA-N 308.342 -0.247 50 20 DBGD COc1cccc([C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O)c1 863460464 YMDWCDHTXQDORQ-SECBINFHSA-N 314.363 -0.009 50 20 DBGD CCOC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863870512 HOBLCSBYQZEQBE-UHFFFAOYSA-N 324.117 -0.580 50 20 DBGD C[C@H](CC[S@@](C)=O)NC(=O)c1cc(B(O)O)ccc1F 900877109 CSNDDOQEKQSCNL-ZPWHCFADSA-N 301.148 -0.608 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)OC)c1 913176913 MJRMFXSDYLFBAI-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD C#CC1(O)CN(CC(=O)NNC(=O)c2ccccc2Cl)C1 934448065 YUMMEZBBEIGHQH-UHFFFAOYSA-N 307.737 -0.219 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCc2nnnn2CC1 1332593828 FZPJKQPLWMQKQH-LLVKDONJSA-N 315.337 -0.589 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(N)=O)cc1Br 1335991489 SSRYLTYKQHKXJR-UHFFFAOYSA-N 316.111 -0.296 50 20 DBGD Cc1noc(CCCC(=O)NNC(=O)CN2CCCC2=O)n1 1354112727 LBZFUZOBPQIIBC-UHFFFAOYSA-N 309.326 -0.529 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCN2)cc(OC)c1OC 1579142400 SEYXJUFIBFLPHF-VIFPVBQESA-N 309.322 -0.165 50 20 DBGD Cn1cc(CCNC(=O)NNC(=O)C(=O)O)c2cccnc21 1600950784 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O=C(c1ccc(B(O)O)cc1)N1CCN(Cc2ncc[nH]2)CC1 584946693 YJFNLJXFWXADCR-UHFFFAOYSA-N 314.154 -0.953 50 20 DBGD NC(=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CCCC1 584953193 ZAICCCXTNZHNMB-UHFFFAOYSA-N 308.118 -0.719 50 20 DBGD COCC[C@H]1COCCN1C(=O)c1ccc(B(O)O)c(F)c1 584992955 UHTOVDZBWYOGCG-NSHDSACASA-N 311.118 -0.617 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](O)C(F)(F)C1 585005410 AHOKSJKERCHGJJ-SNVBAGLBSA-N 303.045 -0.652 50 20 DBGD CN(C)CCOc1ncccc1CNCc1ccc(B(O)O)o1 585030107 WLRNEGHUUPOLAN-UHFFFAOYSA-N 319.170 -0.415 50 20 DBGD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](B(O)O)C1 585072517 BUOQVCYRASSMAQ-SSDOTTSWSA-N 315.116 -0.705 50 20 DBGD CN(C)N(C(=O)COC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 733215445 RTULQRZTXPPSSL-NWDGAFQWSA-N 320.411 -0.326 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC2CCCCC2)c(=O)n(C)c1=O 735029046 RBPXSXIOJPESIR-UHFFFAOYSA-N 323.353 -0.639 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCC[S@](C)=O 735102630 BOTUNBKEBWRINK-NRFANRHFSA-N 313.379 -0.053 50 20 DBGD CCCN(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736472088 OBRPZEVQPHJOTJ-UHFFFAOYSA-N 317.353 -0.031 50 20 DBGD CN(C)c1nccc(NNC(=O)c2ccc(C(N)=O)cn2)n1 740107803 NLXWZEQEPVLAEN-UHFFFAOYSA-N 301.310 -0.207 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN2c2ncccn2)cn1 747392795 KUSREHKHAZZDLY-NSHDSACASA-N 315.337 -0.360 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 748240041 PFOPEICFJVXCCV-LLVKDONJSA-N 324.381 -0.595 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCC(=O)NC(C)C 748614674 RHLJWTVFBUAROS-JTQLQIEISA-N 318.374 -0.717 50 20 DBGD C#Cc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 755603119 IFRMHNKUGMJRFQ-SECBINFHSA-N 324.362 -0.242 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccccc1 771882460 UVUDJOSHQJQDDB-JTQLQIEISA-N 321.333 -0.095 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(C(=O)OC)no1 772259144 PUJIEKFEZHSKJZ-ZCFIWIBFSA-N 313.266 -0.436 50 20 DBGD CC(C)c1nccnc1NNC(=O)[C@H](C)NS(C)(=O)=O 772875383 OEYQMVBOXIJHIT-QMMMGPOBSA-N 301.372 -0.019 50 20 DBGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)CO 777781894 QKAAWMRANQSRPL-MRVPVSSYSA-N 318.326 -0.625 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1nccnc1OC 816971138 USFBMECIPLEXIJ-ZETCQYMHSA-N 303.344 -0.744 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)CC(C)C 821160349 MGBLYCGEWSVELV-BDAKNGLRSA-N 307.372 -0.825 50 20 DBGD CC(C)C(=O)NCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825582864 GRUPQMAFPLSCBL-NXEZZACHSA-N 300.359 -0.486 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C[C@@H]1CCC(=O)N1 829505034 RTSIFLVJHBTSIK-JTQLQIEISA-N 315.333 -0.307 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(C)C 843650443 CJSSVDQMPKRXSO-SCVCMEIPSA-N 315.370 -0.654 50 20 DBGD O=C(CNC(CO)CO)NNC(=O)c1ccccc1Cl 846938636 JTLCWAHCMGGITN-UHFFFAOYSA-N 301.730 -0.956 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1NC(=O)O[C@@H]1C 854284416 JKZRWJSDONAZCI-SFYZADRCSA-N 304.372 -0.643 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C1(n2cnnn2)CC1 854285295 JXMLHOMWERZMQE-UHFFFAOYSA-N 313.387 -0.964 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1ncccn1)C(C)=O 854953544 VECDWDSFNWQMKZ-SECBINFHSA-N 308.294 -0.604 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 858340977 UKLGGFLYQDDUNC-RYUDHWBXSA-N 320.349 -0.017 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccco1 858697576 UDTDXXDOMKQTSF-BDAKNGLRSA-N 310.310 -0.424 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CC2)C1 918551730 GHBKSWXQKLYCDE-SNVBAGLBSA-N 303.384 -0.395 50 20 DBGD COc1ccc(C(=O)NNC(=O)NCc2ncn(C)n2)cc1 1116440658 XMPXYTCFJOUKLN-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD C[C@H]1Oc2ccc(NC(=O)NNC(=O)CCO)cc2NC1=O 1254979726 HBCKUMNBCZSLPD-SSDOTTSWSA-N 308.294 -0.059 50 20 DBGD COc1ccc(NC(=O)NNC(=O)CN2C(=O)CNC2=O)cc1 1256690381 FKCGXRCDXUNSQW-UHFFFAOYSA-N 321.293 -0.600 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnc2)cc1 1318198604 GAENQHMTKPRRNA-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD O=C(CC1(O)CCCC1)NNC(=O)C(=O)Nc1ccccn1 1319268140 LMAVTVOMMCVDON-UHFFFAOYSA-N 306.322 -0.137 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)N1CCc2ccc(C)cc21 1320712273 ZQBPLPHSKFWGSU-UHFFFAOYSA-N 305.290 -0.795 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ns1 1326432536 RMGUJEPCQUYIQD-ZETCQYMHSA-N 303.365 -0.353 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1345595391 PFDBAGCVLNZTEV-MRVPVSSYSA-N 308.356 -0.302 50 20 DBGD NC1CCN(CC(=O)NNC(=O)c2ccc(Cl)nc2)CC1 1580190395 PPUJOMFIVJZRIZ-UHFFFAOYSA-N 311.773 -0.081 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(C(=O)O)CCOCC1 1589415483 IFBXORGXSLURMC-RKDXNWHRSA-N 300.311 -0.560 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)C2CCOCC2)CO1 1606111762 NQDMTINGCBDDGV-GHMZBOCLSA-N 314.338 -0.170 50 20 DBGD O=C(CN1CCC[C@H](C(=O)O)C1=O)NNC(=O)C1CCCC1 1608331898 XIYSMCKKWYZCEM-JTQLQIEISA-N 311.338 -0.353 50 20 DBGD CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1786616721 PEORCBQVJIZNOM-BJDJZHNGSA-N 304.774 -0.414 50 20 DBGD CC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1792974577 CZSPHXQTWOQVTD-ROHXPCBUSA-N 318.801 -0.005 50 20 DBGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)CN)C2 1846176720 YURCPPWEACPUAM-QMMMGPOBSA-N 304.188 -0.068 50 20 DBGD CO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846401271 SDVVREHUJVQFLA-UWVGGRQHSA-N 304.774 -0.176 50 20 DBGD Cc1nc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c[nH]1 264858576 OUYNWSNKEDEXCD-AOOOYVTPSA-N 309.370 -0.022 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cccc(N2CCOC2=O)c1 264944568 BBXKBZLSKXSNIG-UHFFFAOYSA-N 306.322 -0.034 50 20 DBGD COC(=O)NNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 298291003 DPKMRUYVTYNKBU-OQPBUACISA-N 312.326 -0.126 50 20 DBGD CN(C)c1cccc(CNC(=O)NNC(=O)C(=O)NC2CC2)c1 299503205 MCKNZBJIOROWNP-UHFFFAOYSA-N 319.365 -0.138 50 20 DBGD O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584977599 YREHLPQFGVFJGG-CYBMUJFWSA-N 317.154 -0.958 50 20 DBGD C[C@H](CNCc1ccc(B(O)O)cc1)CN1CCN(C)CC1 585022739 YCMGSEADUOTHIQ-CQSZACIVSA-N 305.231 -0.661 50 20 DBGD CSCC[C@H](NCc1ccccc1B(O)O)C(=O)N(C)C 585041429 PAEWDKVNLPRTQH-ZDUSSCGKSA-N 310.228 -0.334 50 20 DBGD COc1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)n1 737158290 DSTHHYJRXBTZKC-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD O=C(NNC(=O)C1(O)CCCC1)c1cccc(-c2nn[nH]n2)c1 738130131 LAKRQQNKZULDQJ-UHFFFAOYSA-N 316.321 -0.067 50 20 DBGD COCCCNC(=O)NN=C1CCN(S(C)(=O)=O)CC1 747629533 BCYRPETXBJJIMF-UHFFFAOYSA-N 306.388 -0.267 50 20 DBGD Cc1oc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 758040193 OLQCCQUMAYQHFI-ZETCQYMHSA-N 317.367 -0.096 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cn1 765587296 UPZFMDVOTSTFAW-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cncc(Cl)c1 779845001 CNCVQERHPTZOSY-UHFFFAOYSA-N 322.730 -0.600 50 20 DBGD COCCc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)C 786417708 XIWRUUJUJOVZOX-UHFFFAOYSA-N 322.365 -0.477 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)NCC2CC2)c(=O)c1 791128459 PAXXJFDNOOJUPJ-OAHLLOKOSA-N 322.365 -0.352 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O 807368156 AFFPCKPKJFUSFQ-VIFPVBQESA-N 324.399 -0.396 50 20 DBGD COCC(=O)NNC(=S)Nc1ccccc1-c1nn[nH]n1 821680549 MKLNKWGMOHBSIA-UHFFFAOYSA-N 307.339 -0.169 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](CC(C)C)C(N)=O 840360601 NPRXXYBKCSFMCC-SNVBAGLBSA-N 314.386 -0.414 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNc2ccncn2)CC1 848162741 BVZSBVHBWYJHDG-UHFFFAOYSA-N 313.383 -0.019 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 855635983 GQFSYOPAFMONOQ-KHPPLWFESA-N 316.383 -0.619 50 20 DBGD COCC1(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858489439 CSXQMSRRYDVVLC-JTQLQIEISA-N 312.370 -0.198 50 20 DBGD COC(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 860445121 MCRLXLFPSKDNLP-JTQLQIEISA-N 320.305 -0.096 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc3c2OCO3)N1 860905462 OHRYKNCIOOLKHZ-MRVPVSSYSA-N 306.278 -0.153 50 20 DBGD COc1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]n1 861381981 ODNWXVFOIJVFPE-LURJTMIESA-N 317.327 -0.994 50 20 DBGD O=C1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(B(O)O)c1 863878146 LSWDMERKXPVDSR-UONOGXRCSA-N 317.150 -0.423 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnn1CCN(C)C 911501945 BAWFTHVHDNJUFI-WDEREUQCSA-N 309.370 -0.369 50 20 DBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 936039861 VVKISQODPRASFW-GMTAPVOTSA-N 318.395 -0.322 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1cscn1 1116589883 AGDVQLRZSRJSLD-ZETCQYMHSA-N 320.396 -0.839 50 20 DBGD O=C(NNC(=O)c1cc2c(nc1O)CCCC2)C(=O)NC1CC1 1318383508 SWXPZSKIUFUHOX-UHFFFAOYSA-N 318.333 -0.294 50 20 DBGD O=C(NN=c1cc[nH]cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1320066133 QTHIHAPAVIFTIY-GFCCVEGCSA-N 319.346 -0.323 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 1320231786 INICFNHQGAWPAK-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccccc1N1CCCC1 1321152404 SIZBFPQANOSZFI-UHFFFAOYSA-N 320.349 -0.245 50 20 DBGD Cn1ccc(NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 1321388272 HXJQVUKYRGGADK-GAJNKVMBSA-N 319.321 -0.974 50 20 DBGD CC(=O)c1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1F 1323243056 JHQZDQYZGLQUMT-UHFFFAOYSA-N 324.312 -0.324 50 20 DBGD CCc1nncn1CCNC(=O)NNC(=O)Cc1cccnc1 1342712416 JIYODEVZIRHJFI-UHFFFAOYSA-N 317.353 -0.191 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCc2nncn2C1 1343961668 NJDTYJVIQPVXMI-ZCFIWIBFSA-N 306.248 -0.267 50 20 DBGD CCc1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1348111070 ROTZUWYNFPDLRC-MRVPVSSYSA-N 309.326 -0.346 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cn1 1450273094 OIHUAADUASJXGG-SNVBAGLBSA-N 317.309 -0.408 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(C(=O)O)CCC1 1588707617 HBHIJGUKZWAKQM-UHFFFAOYSA-N 315.326 -0.087 50 20 DBGD O=C(COc1cccc(-c2nn[nH]n2)c1)NNC(=O)C1CC1 1592894077 OSBXIRIMDRIEIF-UHFFFAOYSA-N 302.294 -0.197 50 20 DBGD O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1ccc(B(O)O)cc1 1601579383 VQEBNGYONIFSIV-DNIRFERGSA-N 303.123 -0.405 50 20 DBGD CC(C)C[C@H](C(N)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1603258325 MGLGUPRTUPTPET-SECBINFHSA-N 318.341 -0.148 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 52917267 JJHQUZKXYNMTCP-UHFFFAOYSA-N 315.307 -0.210 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 113427347 SKZPINDSEMKPBI-ZETCQYMHSA-N 310.276 -0.894 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCOCC2)o1 267707697 KBSRIKDKFCMXOO-UHFFFAOYSA-N 324.337 -0.219 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1CCCC(=O)N1 270337536 ZMHOXCJGFKLHTB-MRVPVSSYSA-N 324.362 -0.706 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 292290636 JIIGHTPHAWITRB-NSHDSACASA-N 322.321 -0.707 50 20 DBGD CCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCO1 294701354 RAZVIYACOFZROA-BDAKNGLRSA-N 301.368 -0.376 50 20 DBGD O=C1COc2ncc(C(=O)NNC(=O)[C@@H]3CCCO3)cc2N1 294707279 RJBDDGVLUSIIDK-VIFPVBQESA-N 306.278 -0.648 50 20 DBGD CC(C)CN1C[C@H](C(=O)Nc2cccc(B(O)O)c2)CC1=O 405004954 QOTXXAULPUDKAO-LLVKDONJSA-N 304.155 -0.191 50 20 DBGD O=C(NCCCc1nc(C2CC2)n[nH]1)c1ccc(B(O)O)cc1 584941546 KNVLICVCAACIMS-UHFFFAOYSA-N 314.154 -0.276 50 20 DBGD C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584945368 QGWHZFQQVHCYAY-MRVPVSSYSA-N 317.147 -0.989 50 20 DBGD CC(=O)N1CC[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)C1 585053247 JKKKFHDXJQFTEX-LLVKDONJSA-N 301.111 -0.248 50 20 DBGD CCOc1ccccc1N1C[C@@H](C(=O)NCB(O)O)CC1=O 585058926 UGYFQGXBHTUVKY-JTQLQIEISA-N 306.127 -0.434 50 20 DBGD COCCCCNC(=O)NNC(=O)CNC(=O)c1ccco1 725871407 KVZGKCITQWGFOQ-UHFFFAOYSA-N 312.326 -0.234 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCc2c(O)cccc21 745865368 OPBFWMJGSRBOJT-LLVKDONJSA-N 318.333 -0.012 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)nc1 755268360 HWQZWERFRLEXLS-UHFFFAOYSA-N 303.278 -0.405 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1=O 755290564 QHONYGJEFARCFR-UHFFFAOYSA-N 318.377 -0.080 50 20 DBGD CS[C@H](C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 756949940 QBLYZISWBQMHTA-HTQZYQBOSA-N 309.413 -0.355 50 20 DBGD Cc1cccc(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 758041073 VXWIYRJEQUHAPW-JTQLQIEISA-N 313.379 -0.377 50 20 DBGD CC(=NNC(N)=O)c1c(C)nn(CCS(C)(=O)=O)c1C 763104324 LOFINOJSBKBNRZ-UHFFFAOYSA-N 301.372 -0.063 50 20 DBGD NC(=O)c1cnn2c(C(=O)NNC(=O)C3CCC3)ccnc12 764216468 TYHZMLGBUJLIAH-UHFFFAOYSA-N 302.294 -0.611 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccnc(OC(C)C)c1 778712781 ILDFZTQVGMBPMM-UHFFFAOYSA-N 310.310 -0.399 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2cc[nH]c2n1 779488674 HMSSFCKEBYIZNR-SECBINFHSA-N 322.346 -0.241 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)N=c2cc[nH]cc2)CCC1 802026895 XKGGNENXPQQYKA-UHFFFAOYSA-N 312.351 -0.377 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)N1 802096264 JYYREDLVOOMGCL-MRVPVSSYSA-N 306.278 -0.153 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 806989189 ZAAQERHEAGJQIW-LLVKDONJSA-N 315.333 -0.355 50 20 DBGD O=C(CO)NNC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 807196555 WNWLUEYAOMPUDH-UHFFFAOYSA-N 322.317 -0.050 50 20 DBGD COCC[C@@H](NS(=O)(=O)CBr)C(=O)OC 810121547 YPOIVFXQDFEODW-ZCFIWIBFSA-N 304.162 -0.164 50 20 DBGD COCCOCC(=O)NNC(=O)COc1ccc(OC)cc1 811916617 YKKFABQVHHOXER-UHFFFAOYSA-N 312.322 -0.116 50 20 DBGD O=C(NN=Cc1c[nH]c(C(=O)O)c1)N[C@@H]1CCS(=O)(=O)C1 814814242 DAYNMLXUADZVIN-MRVPVSSYSA-N 314.323 -0.467 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1csnc1C(=O)O 826976486 ZMKYDABEPCHMBA-UHFFFAOYSA-N 308.341 -0.258 50 20 DBGD CCS(=O)(=O)CCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827284401 WESJCTNAIITREH-VHSXEESVSA-N 321.399 -0.481 50 20 DBGD O=C(CNC(=O)NNC(=O)[C@@H]1CCCCO1)NC1CCCC1 836266500 YLPHQQIPJQZXTR-NSHDSACASA-N 312.370 -0.055 50 20 DBGD COC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1 840452566 JYRMJKCKWOAACJ-PHIMTYICSA-N 323.353 -0.218 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 843661893 OFZSLABQHVLFOH-YUMQZZPRSA-N 308.294 -0.551 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H](O)C2CCCCC2)N1 858695501 GFIIOQKWQDRFAT-GHMZBOCLSA-N 312.370 -0.463 50 20 DBGD CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862454934 LGCKVEWPCWOSAN-GHMZBOCLSA-N 324.381 -0.406 50 20 DBGD COC(=O)COc1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1 863147255 BPJOSTUEXRWSQN-GFCCVEGCSA-N 319.317 -0.033 50 20 DBGD CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 863891199 ZIFSUDJBPFVCBY-CQSZACIVSA-N 304.155 -0.503 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)OCc1ccncc1 869903598 FAXRCLNRMAYUJE-LLVKDONJSA-N 311.338 -0.203 50 20 DBGD O=S(=O)(CCCCl)NCCCN1CCCS1(=O)=O 881853943 OZKFZTQCDAFQEK-UHFFFAOYSA-N 318.848 -0.040 50 20 DBGD CCCNC(=O)NNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1116288021 AYPJONGQKNLKKK-VIFPVBQESA-N 321.399 -0.291 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(CC#N)cc1 1252503624 SZBZIWZHLVBGPZ-UHFFFAOYSA-N 324.362 -0.413 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)Cc1cn2ccccc2n1 1318867446 QTDXXYHFJUGDJA-UHFFFAOYSA-N 324.362 -0.541 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)Cc1ccncc1)CC2 1319399632 SKNIKVFOQQGLQT-GFCCVEGCSA-N 314.349 -0.066 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)ncn2C 1324061005 LPGUFLNLHSYMEX-UHFFFAOYSA-N 303.322 -0.141 50 20 DBGD Cc1c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cnn1C 1324358625 WIMDXVMSQLLAJV-SNVBAGLBSA-N 300.384 -0.166 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1328685292 IICDELHQBOPYCE-SNVBAGLBSA-N 310.358 -0.634 50 20 DBGD C[C@H](CN)CNC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1328985169 NZTPDHBZNODQCG-SOCHQFKDSA-N 306.204 -0.013 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2nncc(N)c2Cl)C1=O 1331673377 IZBUQCJQYDJTTM-UHFFFAOYSA-N 313.705 -0.951 50 20 DBGD CN(C)N(C(=O)Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1332450761 QIEUZPASPOQRHZ-LLVKDONJSA-N 300.384 -0.545 50 20 DBGD C#CCn1ccnc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1346846775 NGIDKCDZBZEZAH-SNVBAGLBSA-N 309.351 -0.664 50 20 DBGD Cc1ncc2n1CC[C@H](C(=O)NNc1ccc(C(N)=O)nn1)C2 1347360790 IISIBQLHECJKDB-VIFPVBQESA-N 315.337 -0.214 50 20 DBGD CC(C)NC(=S)NNC(=O)c1cnn2cc(CCN)cnc12 1575723482 ZEXXQMHLQLHTGX-UHFFFAOYSA-N 321.410 -0.252 50 20 DBGD C[C@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)C[C@H](O)CN1 1576350954 UVSLHXDQERDPRP-BLLLJJGKSA-N 316.361 -0.098 50 20 DBGD C[C@@H]1[C@H](NC(=O)c2cc(B(O)O)ccc2F)C[C@H]2CC[C@H]1N2 1576587685 HKTWJECYAPRAQO-OUJOLJPFSA-N 306.146 -0.236 50 20 DBGD O=C(NC[C@H]1CCC2(CNC2)O1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1580645851 MQISZURWAIBCKB-WISYIIOYSA-N 324.381 -0.595 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1588573839 LHQAHMZBDSRRHH-ZCFIWIBFSA-N 304.262 -0.183 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)O)CCOCC1 1589415481 IFBXORGXSLURMC-IUCAKERBSA-N 300.311 -0.560 50 20 DBGD O=C(NCc1ccco1)NNC(=O)c1cnc(C(=O)O)cn1 1605813644 CWSFYCYGAJWPFC-UHFFFAOYSA-N 305.250 -0.088 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CC=CC1)c1nc[nH]c2ncnc1-2 1605814565 HSCRGHFSAPEWDG-UHFFFAOYSA-N 316.277 -0.514 50 20 DBGD O=C(NNc1ncncc1F)c1cc(-c2nn[nH]n2)ccn1 1609559830 HMQBKQBXVKBHNS-UHFFFAOYSA-N 301.245 -0.052 50 20 DBGD O=C(CCn1cncn1)NNC(=O)c1ccc2c(c1)OCO2 23401466 HTXMGTNJDIDYMS-UHFFFAOYSA-N 303.278 -0.142 50 20 DBGD O=C(NNC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1c[nH]nn1 104648994 ZBCJTOLQEAZLQB-UHFFFAOYSA-N 314.261 -0.172 50 20 DBGD CC(C)CC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 266284823 WVVJVBGGZFXRKF-NRMKKVEVSA-N 323.349 -0.658 50 20 DBGD CCc1ccccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273368018 DQTHZOUASXJYON-VIFPVBQESA-N 313.379 -0.052 50 20 DBGD O=C(NCCN1C(=O)CCC1=O)NNc1nc2ccccn2n1 276889773 MUPVYEWAJVYCCJ-UHFFFAOYSA-N 317.309 -0.496 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c1C 293903065 LPTXJGVKOAQGAS-XVKPBYJWSA-N 308.338 -0.274 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ccccc1-n1cnnn1 295691876 ZDVLKUHZCORNCU-LBPRGKRZSA-N 316.321 -0.008 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2COCCO2)cc1 298459870 ZEMCSGNEJVXVEP-LBPRGKRZSA-N 305.290 -0.500 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NNC(=O)CO)C1 363843697 GUPZRTFBHPJLSR-LBPRGKRZSA-N 305.306 -0.525 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1COCCN1 368602890 LBSZMEVZCJVSIF-LLVKDONJSA-N 308.338 -0.757 50 20 DBGD COC(=O)NNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 495368316 ZBXZROJFANWWPI-UHFFFAOYSA-N 303.278 -0.028 50 20 DBGD CC(=O)N[C@@H](C)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584978162 QYRSFUMARASBCZ-NSHDSACASA-N 318.182 -0.257 50 20 DBGD Cn1c(NC(=O)c2ccc(B(O)O)c(F)c2)nnc1C1CC1 585008728 QRKAVMXRVROVBD-UHFFFAOYSA-N 304.090 -0.236 50 20 DBGD CC(C)[C@H](CNCc1ccc(B(O)O)o1)N1CCN(C)CC1 585017514 CENQCZIMXVRCQE-AWEZNQCLSA-N 309.219 -0.679 50 20 DBGD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@H](B(O)O)C1 585058513 HHSVEUKAIXKBRH-JTQLQIEISA-N 314.128 -0.027 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2c(c1)NC(=O)CO2 730090643 LTGJRRZEEOVQAP-UHFFFAOYSA-N 315.289 -0.256 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 740851361 AZRPMIDDRCZYRG-VIFPVBQESA-N 324.381 -0.551 50 20 DBGD C[C@@]1(O)CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1 748833322 SPYWXNFRCDTYFL-OAHLLOKOSA-N 302.334 -0.224 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)C(C)(C)CN(C)C 754380236 VBRRBHRPNCENDR-VIFPVBQESA-N 313.402 -0.428 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)C2CCCC2)n1 756771231 SQHOIOSOANBKRS-UHFFFAOYSA-N 323.357 -0.291 50 20 DBGD Cn1ncc(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1N 758300593 MBKOSJBKLOKXJC-UHFFFAOYSA-N 313.321 -0.346 50 20 DBGD CCn1cc(-c2n[nH]cc2C(=O)NNC(=O)C(C)(C)O)cn1 768245464 BGDUZNVLFXKBJA-UHFFFAOYSA-N 306.326 -0.175 50 20 DBGD CCNC(=O)NNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 782594157 YHWIYNIIZDVTPX-UHFFFAOYSA-N 323.309 -0.017 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cncc(C(=O)OC)c1 788666178 MBYDGMVHLUDWHK-UHFFFAOYSA-N 316.339 -0.277 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)SC[C@H](NC(C)=O)C(=O)OC 790022562 VFZFWXIJOMMQEK-CBAPKCEASA-N 319.383 -0.657 50 20 DBGD CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)COC)c1C 792266619 TVYRHAXIXBXQDI-QMMMGPOBSA-N 311.342 -0.105 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 807382945 VUTGBRWWYMGDQF-GHMZBOCLSA-N 311.386 -0.734 50 20 DBGD O=C(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)NNC(=O)C(=O)NC1CC1 813786733 OEOOKXOZPFMEHQ-AMJWSMQMSA-N 324.381 -0.463 50 20 DBGD C[C@H](CO)N(C)NC(=O)Cc1cccc(NS(C)(=O)=O)c1 823959870 RIDZKMFWZUXRJU-SNVBAGLBSA-N 315.395 -0.056 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCNC2=O)cc1OC 854233992 SBFQJYVSHNBIEL-SNVBAGLBSA-N 321.333 -0.009 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 854926073 UTFWEYDXHWRPPC-UHFFFAOYSA-N 319.412 -0.654 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2ncccn2)[C@@H]2CCCC[C@H]2N1 854952403 KSVTWDISELGLBS-GARJFASQSA-N 317.349 -0.068 50 20 DBGD O=C(C[C@@H]1COc2ccccc2O1)NNC(=O)[C@H]1CCC(=O)N1 862458565 BODXSUBYWHLBLJ-NXEZZACHSA-N 319.317 -0.358 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)c1cn[nH]c1)C2 862469479 LQJUPVOHMCCCQP-GDPRMGEGSA-N 319.321 -0.186 50 20 DBGD Cc1cccc(NNC(=O)CNS(=O)(=O)c2cnn(C)c2)n1 862524084 GAYCLFWIVHNXIO-UHFFFAOYSA-N 324.366 -0.455 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)CN1CCCCS1(=O)=O 878716640 LOKIPUWOIYNXPO-UHFFFAOYSA-N 305.400 -0.004 50 20 DBGD C[C@H](CN1CCCCC1)NC(=O)NNC(=O)C(=O)NC1CC1 916461381 BQBYFDYISNKBDM-SNVBAGLBSA-N 311.386 -0.530 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 1116407603 PSHVSNNQPBUVBM-BWZBUEFSSA-N 319.408 -0.131 50 20 DBGD C[S@@](=O)c1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1 1116892374 DICMRBBMEBTRKD-JOCHJYFZSA-N 323.374 -0.608 50 20 DBGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)c1cc[nH]n1 1118428517 DGCDOHIXIYCMAA-UHFFFAOYSA-N 319.325 -0.194 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@@H]1COC(=O)C1 1323535188 PQHDICHEQVBDIF-QMMMGPOBSA-N 315.326 -0.388 50 20 DBGD Cn1nncc1NC(=O)C(=O)NNC(=O)CCc1ccccc1 1347349162 ZMXIMYIFXXWHLH-UHFFFAOYSA-N 316.321 -0.466 50 20 DBGD Cc1nsc(NC(=O)NNC(=O)CCO)c1-c1nn[nH]n1 1581686981 XPKOQEIUZRJMTR-UHFFFAOYSA-N 312.315 -0.833 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(F)c1C(=O)O 1593352870 IHMLJROGOYYNHL-LURJTMIESA-N 319.314 -0.095 50 20 DBGD O=C(O)[C@H]1CC(F)(F)CN1C(=O)c1cc(B(O)O)ccc1F 1602211372 MRXQUTIDDAFCME-SECBINFHSA-N 317.028 -0.560 50 20 DBGD O=C(O)COCC(=O)NNC(=O)c1nnc(O)c2ccccc12 1608756778 YWDFTTMWEHRCHA-UHFFFAOYSA-N 320.261 -0.802 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1cccc(C(=O)O)c1 1610655341 MUXRPLRRXAXTRJ-VIFPVBQESA-N 306.278 -0.184 50 20 DBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)NC)c1 56375369 UVBLIUSXEKIXLG-UHFFFAOYSA-N 310.335 -0.828 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CN(C)C)N1C[C@@H](C)O[C@H](C)C1 247138929 JRLPVCDDPFJJPO-YRGRVCCFSA-N 314.430 -0.171 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2ccc([N+](=O)[O-])cc2)C1=O 269601398 IGBOAWOOVRREGK-UHFFFAOYSA-N 307.266 -0.068 50 20 DBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C2CC2)n(C)c1 272204814 NEKDSYIUDBCHQB-UHFFFAOYSA-N 314.367 -0.554 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)n1 289567699 QBZGIJOUYRSYFT-YRGRVCCFSA-N 322.365 -0.301 50 20 DBGD O=C(NNc1nnc[nH]1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 294014608 ULVLZMUGDSSXRT-MNOVXSKESA-N 320.353 -0.311 50 20 DBGD CS(=O)(=O)C1(CNS(=O)(=O)CBr)CC1 393656603 IXQHTCOEQQSQDY-UHFFFAOYSA-N 306.203 -0.165 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)C1(N2CCOCC2)CCCC1 584909312 CIVUXWROUVOLGC-UHFFFAOYSA-N 318.182 -0.050 50 20 DBGD CN1CCC(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)CC1 584942103 HVBGTXBCGCUUIY-UHFFFAOYSA-N 308.162 -0.081 50 20 DBGD O=C(CCCNCc1ccc(B(O)O)cc1)Nc1cn[nH]c1 585029815 VIYHVLXAQFVPNJ-UHFFFAOYSA-N 302.143 -0.402 50 20 DBGD CCS(=O)(=O)C1(CNCc2ccc(B(O)O)cc2F)CC1 585049997 NVCCYURTLYOOKO-UHFFFAOYSA-N 315.175 -0.438 50 20 DBGD O=C(O)c1cc(C(=O)NNC(=O)c2cnn[nH]2)cc([N+](=O)[O-])c1 738673003 OTRMYBCBMMXSRX-UHFFFAOYSA-N 320.221 -0.514 50 20 DBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)C(C)C)cn1 743250720 IAAWUZIRYPOQHT-UHFFFAOYSA-N 304.328 -0.978 50 20 DBGD CCOCC(=O)NNC(=O)NCCCOC1CCOCC1 745845902 WNYDIQKRSHIGOU-UHFFFAOYSA-N 303.359 -0.061 50 20 DBGD CN1CCC[C@H](NC(=O)NNC(=O)c2ccccc2O)C1=O 748664940 PNBZLXZAPNVSIB-JTQLQIEISA-N 306.322 -0.043 50 20 DBGD COCCCNC(=O)NN=C1CCC2(CC1)NC(=O)NC2=O 758117720 SJDVMUYCLOIOII-UHFFFAOYSA-N 311.342 -0.170 50 20 DBGD N#Cc1ncn(CC(=O)NNC(=O)Cn2ccc3ccccc32)n1 769183180 GWGMYNASBRESLW-UHFFFAOYSA-N 323.316 -0.048 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)NN=c2cc[nH]cc2)cn1 771451325 QRJROXSMYKYRDW-UHFFFAOYSA-N 321.362 -0.094 50 20 DBGD COC[C@@H](CO)NC(=O)NNC(=O)c1c(C)nc2ccccn12 792778014 ROPDKZRSRNABOD-SNVBAGLBSA-N 321.337 -0.406 50 20 DBGD O=C(CCN1CCOCC1)NNc1ccc(-n2ccnc2)nn1 804954444 FHXDBBVVTHMGCI-UHFFFAOYSA-N 317.353 -0.172 50 20 DBGD COCC[C@H](NS(=O)(=O)CBr)C(=O)OC 810121546 YPOIVFXQDFEODW-LURJTMIESA-N 304.162 -0.164 50 20 DBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)CNC(=O)O)nc21 823876757 PRMYGWPXTZQBLS-UHFFFAOYSA-N 323.313 -0.002 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@H]1C(=O)O 826753798 FURUTSWVCKCRRN-UWVGGRQHSA-N 301.343 -0.646 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1nc(C)cc(OC)n1 829487464 DLABWKGOQXEUAY-QMMMGPOBSA-N 317.371 -0.435 50 20 DBGD Cc1ccccc1-n1cc(C(=O)NNC(=O)CN(C)C)nn1 839639527 NPUXNXFCYUAMJW-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NNC(=O)CO)C2=O 839719810 AIHLAHBQFDQIFT-MRVPVSSYSA-N 305.290 -0.881 50 20 DBGD C=C[C@@H](O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 854224687 UQJMFFLSAAASPD-SECBINFHSA-N 312.351 -0.712 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)C1(n2cnnn2)CC1 856773080 PJHWOCBMJFTPMH-UHFFFAOYSA-N 301.310 -0.578 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)Cn1cnc2ccccc21 858132007 PONADBBDEAQFQW-AWEZNQCLSA-N 317.349 -0.046 50 20 DBGD C[C@@H]1CC[C@H](C(=O)NNC(=O)c2coc(S(N)(=O)=O)c2)O1 862889927 BMAQAFXWBLYBAA-HTRCEHHLSA-N 317.323 -0.745 50 20 DBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c[nH]1 916728340 BJYXJLABPFNFKH-UHFFFAOYSA-N 316.273 -0.083 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1nncc(N)c1Cl 1118736357 HEGXEWMDJKPQQO-RXMQYKEDSA-N 322.778 -0.517 50 20 DBGD O=C(Cn1ncnn1)NNC(=S)NCCc1cccs1 1123483269 DWKIEEXMUOQUNE-UHFFFAOYSA-N 311.396 -0.527 50 20 DBGD COc1ncccc1C(=O)NNC(=O)C(=O)Nc1ccccn1 1319095581 TZDYRANGKQEXPA-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD O=C(NNC(=O)c1c[nH]nc1-c1ccoc1)C(=O)NC1CC1 1321021906 NRUNNUBOOYAFGU-UHFFFAOYSA-N 303.278 -0.291 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)NCc2ccco2)nn1 1323942986 DQNDGYCDGCHLSH-QMMMGPOBSA-N 308.298 -0.545 50 20 DBGD CNC(=O)NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 1324502248 KTQDSGJNLUBCJD-OYNCUSHFSA-N 315.399 -0.328 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 1326090051 SJWXKFXIKUIICJ-ZETCQYMHSA-N 323.309 -0.887 50 20 DBGD C[C@H](C(=O)NNC(=S)NCC1CCC1)N1C(=O)CCC1=O 1328355816 BKBSMFJGOPOKPT-MRVPVSSYSA-N 312.395 -0.181 50 20 DBGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329645402 XVGOIWRCJZENJL-XVKPBYJWSA-N 307.354 -0.434 50 20 DBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@H](B(O)O)C1 1331826626 KUBOEBNKICQSHK-QMMMGPOBSA-N 316.144 -0.767 50 20 DBGD Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1351331678 ZUFVXONHMMGDFH-VHSXEESVSA-N 320.353 -0.594 50 20 DBGD CCOC(=O)c1ncc(C(=O)NNC(=O)CCCN)s1 1578068311 IFLIDVLOYOIZKQ-UHFFFAOYSA-N 300.340 -0.180 50 20 DBGD O=C(CCn1ccnn1)NNc1ccc(-c2nn[nH]n2)cn1 1592861347 OVGYOKACMZJUBJ-UHFFFAOYSA-N 300.286 -0.613 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)Nc1cncc(C(=O)O)c1 1594782744 JUTIXDXKABAXFI-SECBINFHSA-N 310.266 -0.652 50 20 DBGD C[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)N1C(=O)CCC1=O 1603174125 ZSEOTWRBINCUOB-ZETCQYMHSA-N 306.278 -0.240 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 1610714706 ZSSSKDCOFVCAHP-UHFFFAOYSA-N 306.278 -0.869 50 20 DBGD CN(C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847558772 PMEUSKCROZDPRU-SDDRHHMPSA-N 317.817 -0.260 50 20 DBGD CC(C)CCC(=O)NCC(=O)NNC(=O)C(=O)N1CCCC1 67157818 RTHZXFIZAGZDMC-UHFFFAOYSA-N 312.370 -0.691 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CCN1C(=O)CCC1=O 67435388 OCUNHMKJOJMXIC-UHFFFAOYSA-N 319.317 -0.005 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 113423866 GXVDFEZBYCXLHM-SNVBAGLBSA-N 308.313 -0.040 50 20 DBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)CN(C)C)cc1 263922577 SYNIZEBLRIAVQJ-UHFFFAOYSA-N 322.365 -0.476 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 273121346 CNRATECTTLEHOK-YUMQZZPRSA-N 314.342 -0.674 50 20 DBGD COC(=O)COCC(=O)NNC(=O)COCc1ccccc1 287484561 FSBBVQOBGHYDNA-UHFFFAOYSA-N 310.306 -0.460 50 20 DBGD CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584979502 VUOIUOFSBZDYHN-ZDUSSCGKSA-N 322.145 -0.508 50 20 DBGD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(B(O)O)c(F)c1 584979730 CRBUTVWYWTUNEQ-NRUUGDAUSA-N 320.129 -0.769 50 20 DBGD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cccc(B(O)O)c1 584980350 XGSXKUPLLNNWDN-UHTWSYAYSA-N 302.139 -0.908 50 20 DBGD O=C(NCC12CCCN1CCC2)c1ccc(B(O)O)c(F)c1 584986251 XNQVOBNRXKBNHU-UHFFFAOYSA-N 306.146 -0.136 50 20 DBGD OC[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc(B(O)O)o1 585035926 ZWNVPINCKJXRMV-TZMCWYRMSA-N 305.139 -0.466 50 20 DBGD C[C@]1(C(=O)N2CC[C@H](B(O)O)C2)Oc2ccccc2NC1=O 585065831 GWLZSDYJCVGHOR-XPTSAGLGSA-N 304.111 -0.149 50 20 DBGD O=C1Nc2ccccc2O[C@H]1CC(=O)N1CC[C@@H](B(O)O)C1 585074217 KGOLIYRYSAUSPE-SKDRFNHKSA-N 304.111 -0.149 50 20 DBGD CCNC(=O)NNC(=O)Cc1cccc(NS(C)(=O)=O)c1 730216518 YQDLJGPAQPWNFK-UHFFFAOYSA-N 314.367 -0.049 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C(=O)O)cn1 736900890 VIOKZLHCLCYEKC-UHFFFAOYSA-N 322.321 -0.154 50 20 DBGD CN(CC(=O)NNC(=O)c1cnn[nH]1)c1ccccc1[N+](=O)[O-] 742640603 RZPAGVLJAZWDIZ-UHFFFAOYSA-N 319.281 -0.390 50 20 DBGD COC(=O)NNC(=O)Nc1ccn(CCN2CCOCC2)n1 743168421 GUDAEGLQWQBCGP-UHFFFAOYSA-N 312.330 -0.392 50 20 DBGD CCCNC(=O)NNC(=O)c1cc(S(=O)(=O)NC)oc1C 751362403 UWWRAEQGBGRBFY-UHFFFAOYSA-N 318.355 -0.150 50 20 DBGD O=C(CO)NNC(=O)CCNC(=O)N1CCc2ccccc2C1 753442228 BEEUCWZMXYSTMR-UHFFFAOYSA-N 320.349 -0.716 50 20 DBGD COc1ccccc1SCC(=O)NNC(=O)C1=NNC(=O)C1 762370682 OSFSCHJJHUEUBP-UHFFFAOYSA-N 322.346 -0.189 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)C1=COCCO1 762857847 WVZFLZYRDBTEOG-UHFFFAOYSA-N 307.310 -0.356 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccsc1 764396726 BCRBDOBYLKDNJV-MRVPVSSYSA-N 315.351 -0.115 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1 782713063 DODBPBPFWPBDNW-UHFFFAOYSA-N 309.282 -0.758 50 20 DBGD O=C(NNC(=O)[C@@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 783524847 SXFSWYZYYQWIJW-MNOVXSKESA-N 318.395 -0.490 50 20 DBGD CCN(CC(N)=O)CC(=O)NNC(=O)c1cccc(Cl)c1 789516353 FBMUBPIEBQNHJR-UHFFFAOYSA-N 312.757 -0.092 50 20 DBGD COCCCNC(=O)NNC(=O)CC[C@]1(C)CCC(=O)N1 793207723 PWNNDTHMDMILNH-ZDUSSCGKSA-N 300.359 -0.198 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 804026134 YFTWZYLMSQKBNE-UHFFFAOYSA-N 320.758 -0.097 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cc2n[nH]c3c2CCCC3)CC1 807382081 WNZRKDWRIVTTOB-UHFFFAOYSA-N 320.397 -0.181 50 20 DBGD Cn1nc(C2CC2)cc1C(=O)NNC(=O)CN1CCCC1=O 828345197 YLPWFGNGWVLABT-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2ncccn2)C1 841676071 LQWMDFUCOIALHF-UWVGGRQHSA-N 313.383 -0.066 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cnc(Cl)n1C 842593498 VMVBWJOALYEQPN-RNFRBKRXSA-N 322.774 -0.192 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847287128 NWWFPBZLYWVBRE-ZJUUUORDSA-N 321.333 -0.267 50 20 DBGD CNC(=S)N(C)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 854925230 ASZMQYPYIHTXND-SECBINFHSA-N 312.399 -0.630 50 20 DBGD CN1CCCC[C@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858701393 KQWOMMCBRHYIFJ-MNOVXSKESA-N 311.386 -0.673 50 20 DBGD Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860436437 GNOXDYVODKEYPX-JTQLQIEISA-N 319.321 -0.475 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2nc(Cl)ccc2F)N1 862457076 AGHBFQXUFGJIHE-ZCFIWIBFSA-N 300.677 -0.086 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)N1 862457668 NWWQYYNNSJWDNN-NEPJUHHUSA-N 305.334 -0.594 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 864232062 VXRGFFZTJKETBV-SNVBAGLBSA-N 313.140 -0.289 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cnn(C)c1Br 872332598 PZFYAYXDLLSAHM-UHFFFAOYSA-N 311.161 -0.098 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](CO)C1 879002335 HRFAROPREOSUMB-CYBMUJFWSA-N 324.356 -0.805 50 20 DBGD Cc1nnnn1-c1cccc(NC(=O)NNC(=O)CCO)c1 1254882419 NOOMMOGOPARPRF-UHFFFAOYSA-N 305.298 -0.494 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)NNc1cccnn1 1261497011 KIMGOOABXVCBKB-UHFFFAOYSA-N 307.335 -0.102 50 20 DBGD CC(=O)CSCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324129714 XQGYGAOHQCMZOS-SNVBAGLBSA-N 308.425 -0.199 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 1326226631 CJECZHILVISHJF-UHFFFAOYSA-N 305.294 -0.716 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCS(C)(=O)=O 1332068502 FTEAKLBZDRPRJR-IUCAKERBSA-N 307.372 -0.824 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CC1)C[C@@H](O)CCO2 1333319652 PONRCQINAMSEQT-RYUDHWBXSA-N 313.398 -0.062 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1nnnn1C 1340508931 FSSBWIRHGPUXOA-MRVPVSSYSA-N 314.309 -0.213 50 20 DBGD CC(C)n1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 1345813005 QTVSWBJVHFPCEF-ZJUUUORDSA-N 323.353 -0.025 50 20 DBGD CN(C)c1nccc(NNC(=O)c2cnc(C(=O)O)cn2)n1 1593715568 UJVTVTITFGCBRJ-UHFFFAOYSA-N 303.282 -0.212 50 20 DBGD O=C(O)CN1CC[C@@H](N2C[C@H]3[C@H](Br)[C@H]3C2)C1=O 1595073581 APGUPXXPAKWLRR-JIOCBJNQSA-N 303.156 -0.003 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1scc(C)c1C(=O)O 1599143507 UWZMXYZVIVOHNY-UHFFFAOYSA-N 315.307 -0.513 50 20 DBGD O=C(O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CBr 1601756729 UXDWCYXXWFPYAK-RITPCOANSA-N 302.146 -0.422 50 20 DBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2COCCO2)n1 1610795615 SLJWXRRBDIRHBU-VIFPVBQESA-N 324.293 -0.723 50 20 DBGD NC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Cl)C2 1804476850 ZPRHPDILLKWKAC-IBCQBUCCSA-N 320.752 -0.173 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC(C)(C)O)CC1 111218063 KOZCDPXHEASPLU-NSHDSACASA-N 300.403 -0.679 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 265078296 PODMWOJKYALPTL-UHFFFAOYSA-N 324.293 -0.311 50 20 DBGD COCCS(=O)(=O)NNC(=O)COCc1ccccc1 265646091 SBFJMDOCXXKWHA-UHFFFAOYSA-N 302.352 -0.200 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 275548880 GNFYSWNHEPRRHT-WDEREUQCSA-N 321.337 -0.350 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccncn1 495542841 FQZWRQGHVFQZNP-UHFFFAOYSA-N 324.341 -0.055 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2NC(=O)O[C@H]2C)c(OC)c1 496574494 XLCZBKKYYUPUJU-WRWORJQWSA-N 323.305 -0.038 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(O[C@@H]2CCOC2)CC1 584999955 YWWKGNQEPPWLCU-OAHLLOKOSA-N 319.166 -0.224 50 20 DBGD CCN1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC1=O 585051194 XIPSKJSICMKFLT-SNVBAGLBSA-N 301.111 -0.248 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 729275159 MHNPOQPYUXSDTD-XWLWVQCSSA-N 317.411 -0.102 50 20 DBGD CC(=O)NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730585123 PQVIZMNOYSOVMZ-LLVKDONJSA-N 319.317 -0.022 50 20 DBGD NC(=O)CSCC(=O)NNC(=O)c1ccc(Cl)nc1 735650247 NUQXXZNGOGNOIU-UHFFFAOYSA-N 302.743 -0.286 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCNC(=O)C2)c1 744393249 FTZCEVNDUPQVAN-UHFFFAOYSA-N 315.333 -0.859 50 20 DBGD CC(C)NC(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 745006435 WGIGXAHGXRIROQ-UHFFFAOYSA-N 307.314 -0.586 50 20 DBGD CO[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 771268129 YRLITXZZCROGNG-IUCAKERBSA-N 307.372 -0.825 50 20 DBGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)COCC 773497189 RYDRSTMGBSGOME-UHFFFAOYSA-N 319.317 -0.179 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)C2CCC2)n1 782579206 FSGKQIWRZRBFQX-UHFFFAOYSA-N 309.330 -0.681 50 20 DBGD O=C(O)Cn1cc(C=NNC(=O)c2ccc(O)c(O)c2)nn1 794557610 GPNWBJBWUPJGPI-UHFFFAOYSA-N 305.250 -0.462 50 20 DBGD CCOCC(C)(C)CNC(=O)NNC(=O)C(=O)NC1CC1 812434188 ZICSXUKSZWULSK-UHFFFAOYSA-N 300.359 -0.342 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@]1(C)CCNC1=O 823010200 JMCAKZGOBQZHJC-OAHLLOKOSA-N 305.334 -0.089 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c(=O)n1C 826640095 UMQODHHBQLAOJZ-CMPLNLGQSA-N 322.365 -0.051 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CCNC1=O 831459113 FXXQFAPYVLUBPK-MRVPVSSYSA-N 309.347 -0.232 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2cncn2)nc1 843974781 OXFJPOIZERGJTC-KOLCDFICSA-N 316.321 -0.152 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H]2[C@H]2CCCOC2)N1 858702284 GQBYHQIPPHYTIJ-QJPTWQEYSA-N 324.381 -0.103 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)s1 864231759 RTDJPBICHZOUFF-SSDOTTSWSA-N 319.169 -0.228 50 20 DBGD CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)CCCCl 881969972 AOZQWKDEZTWJBN-SECBINFHSA-N 318.848 -0.041 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN2C)C[C@H](C)O1 895511949 ZJORLDBERCFOAL-RWMBFGLXSA-N 312.414 -0.273 50 20 DBGD CCn1nc(C)c(S(=O)(=O)NNC(=O)c2cn[nH]c2)c1C 1118895578 VHEMDZADJWWMJQ-UHFFFAOYSA-N 312.355 -0.134 50 20 DBGD Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1329128533 SKSBBLOCABWSFV-LURJTMIESA-N 302.356 -0.678 50 20 DBGD Cc1cc(=NNC(=O)C(=O)N=c2nc[nH]n2C(C)C)cc[nH]1 1331642993 FWRVRJVAEJYFDQ-UHFFFAOYSA-N 303.326 -0.512 50 20 DBGD COC(=O)Cc1cccc(C(=O)NNC(=O)C(=O)NC2CC2)c1 1343089830 NLWSNCBYZLBBNS-UHFFFAOYSA-N 319.317 -0.558 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)N1CCNCC1=O 1575071591 NNDTVYXRDJKLPQ-VIFPVBQESA-N 324.768 -0.079 50 20 DBGD CNC1CC(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 1578595140 NOUGSQZRNCUPJE-SRHKJQAYSA-N 305.334 -0.028 50 20 DBGD N[C@@H]1CC[C@H](CC(=O)NNC(=O)CNC(=O)c2cccnc2)C1 1580387578 NIDKSCOVDKYIFD-CMPLNLGQSA-N 319.365 -0.524 50 20 DBGD N[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccccc2O)[C@H]2C[C@H]21 1580401628 PDTFNPAWAHMDRR-ZRUFSTJUSA-N 305.334 -0.098 50 20 DBGD CC(C)(C(=O)O)n1ccc(NC(=O)c2ccc(B(O)O)cc2)n1 1588627455 RILKHYRJNJVRIB-UHFFFAOYSA-N 317.110 -0.365 50 20 DBGD CC(C)(C)c1nnc(CNC(=O)NNC(=O)C(=O)O)s1 1590565381 GAOPRQQIUWLQPR-UHFFFAOYSA-N 301.328 -0.249 50 20 DBGD CN(C)[C@H](CNC(=O)NNC(=O)C(=O)O)c1ccc(F)cc1 1598170020 IYTDYABCOMAXKA-SNVBAGLBSA-N 312.301 -0.157 50 20 DBGD CC[C@H](C(=O)O)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 1604879027 YUQHNVTZJHESQQ-DCAQKATOSA-N 315.370 -0.256 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)c(Cl)n1 1610512907 APJXTTLJIILFBN-UHFFFAOYSA-N 322.730 -0.379 50 20 DBGD O=C(CCc1ccccc1C(=O)O)NNC(=O)c1cnn[nH]1 1610659570 FKOLMXDGQYUBIQ-UHFFFAOYSA-N 303.278 -0.103 50 20 DBGD O=C(C1CC1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1784899507 CCZQLJKVNHLOOY-RISCZKNCSA-N 316.785 -0.174 50 20 DBGD Cn1cc(C(=O)NN/C=C2/C(=O)NC(=O)c3ccccc32)cn1 117738979 KWQOOBUVXGCILT-KPKJPENVSA-N 311.301 -0.034 50 20 DBGD COCCCNC(=O)NNC(=O)c1nc2nc(C)cc(C)n2n1 139641383 KLLOMTINOOYNJW-UHFFFAOYSA-N 321.341 -0.278 50 20 DBGD CN(C)C(=O)NNC(=O)CCNC(=O)c1[nH]nc2ccccc12 264716163 BDOXCHAITIECIQ-UHFFFAOYSA-N 318.337 -0.015 50 20 DBGD C[C@@H]1CN(C(=O)C(=O)NNC(=O)CN(C)C)c2ccccc2O1 274041670 GCEXMVQDWCIWJO-SNVBAGLBSA-N 320.349 -0.491 50 20 DBGD CN(C)[C@@H](C(=O)NNC(=O)c1ccccn1)c1cncn1C 280757257 LPPZUTRMGFCVTO-GFCCVEGCSA-N 302.338 -0.121 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H](O)c1cccnc1 495817683 HEAYZFHRZLHZBO-NSHDSACASA-N 324.337 -0.213 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN2CCCC[C@H]2C1 584938460 GJOCYEVYNLNDJQ-LBPRGKRZSA-N 306.146 -0.184 50 20 DBGD NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584955649 SLCMEXFFPJCNJU-VIFPVBQESA-N 308.118 -0.767 50 20 DBGD CN(C(=O)CNC(=O)c1ccc(B(O)O)cc1)C1CCCCC1 584958717 RNNZUZXHQIESIL-UHFFFAOYSA-N 318.182 -0.113 50 20 DBGD CC(C)c1nnc(CNC(=O)c2cc(B(O)O)ccc2F)n1C 584971241 MQTSVDVKKOARIG-UHFFFAOYSA-N 320.133 -0.313 50 20 DBGD CC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584978159 QYRSFUMARASBCZ-LLVKDONJSA-N 318.182 -0.257 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCS(=O)(=O)C[C@H]1C1CC1 584997065 CBINLICTRJVSMJ-ZDUSSCGKSA-N 323.179 -0.984 50 20 DBGD CC1CCN(C[C@@H](C)C(=O)NNC(=S)NCC(N)=O)CC1 727066936 RYKQUDABPRQPCE-SNVBAGLBSA-N 315.443 -0.665 50 20 DBGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)CO)s1 756683902 JBAQITZKAJPNEY-UHFFFAOYSA-N 317.327 -0.821 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 768246258 XWDXCLOKXMLPKZ-UHFFFAOYSA-N 319.314 -0.995 50 20 DBGD C[C@H](O)CN(CC(=O)NNC(=O)c1cccs1)[C@@H](C)CO 785537482 PTUVBDJUKVPKJD-UWVGGRQHSA-N 315.395 -0.427 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CC(C)(C)O)C[C@@H](C)O1 792628289 FVMVLOUENZKRIZ-PHIMTYICSA-N 301.387 -0.206 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CC(=O)N2CCCC[C@H]12 799481464 VAOJNBJGEQHDPS-SNVBAGLBSA-N 319.321 -0.313 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(COC)CCOCC1 811434543 UMMSACOMJMWCTF-JTQLQIEISA-N 316.354 -0.081 50 20 DBGD C[C@](O)(C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCC1 813378012 LHQUFDZLULVRPZ-PRHODGIISA-N 304.368 -0.880 50 20 DBGD C[C@H](C(=O)O)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1 819888424 DQCQWZHVEFWHPP-SECBINFHSA-N 304.306 -0.276 50 20 DBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 822243414 BLRSAIXAKJZACO-MRVPVSSYSA-N 306.388 -0.905 50 20 DBGD O=C(NNc1c(F)cccc1F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830781452 BEFXALIHNVJDHV-CKYFFXLPSA-N 300.261 -0.179 50 20 DBGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ncccn1 841354019 JIKDJTQNVSOEGA-VIFPVBQESA-N 323.378 -0.061 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cc[nH]n1 855362032 MDTJLWYUWIVIGC-IUCAKERBSA-N 319.321 -0.654 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1cccc(F)n1 856421831 HWPKWRIRMITMCC-UHFFFAOYSA-N 308.269 -0.479 50 20 DBGD C[C@H](CN1CCCCC1)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858276002 NDZNLYXNYCONNA-MNOVXSKESA-N 311.386 -0.530 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCNc2ccccn2)N1 858697004 OJGBIVAUPXOTSA-SECBINFHSA-N 306.326 -0.898 50 20 DBGD CCOC[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858697543 SQKJBNYSOIYTET-MNOVXSKESA-N 312.370 -0.246 50 20 DBGD CC(C)OC(=O)CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858699095 JCPWJTDTKMNPEN-SECBINFHSA-N 314.342 -0.673 50 20 DBGD COCCC1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858701179 IVLNOCLACAZLLD-LLVKDONJSA-N 312.370 -0.246 50 20 DBGD O=C(NNC(=O)[C@]1(C2CCCC2)CCNC1=O)N1CCOCC1 858906531 VQWOCAABDAKNSU-HNNXBMFYSA-N 324.381 -0.244 50 20 DBGD C[C@@H](C(=O)NNC(=O)COc1ccccc1O)[C@@H]1CCC(=O)N1 859269386 ABWKWIKRFBIOGQ-ZJUUUORDSA-N 321.333 -0.167 50 20 DBGD CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862450268 PSJBRHHDGYTYOL-STFLBKPXSA-N 323.374 -0.146 50 20 DBGD O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(B(O)O)c1 863878142 LSWDMERKXPVDSR-KBPBESRZSA-N 317.150 -0.423 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](N2CCOC2=O)C1 863886576 FMLMRJQNHTYZGN-LBPRGKRZSA-N 304.111 -0.967 50 20 DBGD O=C1CN(CC(=O)NNC(=O)CCCc2ccccc2)CCN1 900542260 IHILIMRZDCIPQI-UHFFFAOYSA-N 318.377 -0.412 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)NC2)cc1 915685359 WZZPMPAHEADXLF-NSHDSACASA-N 316.317 -0.389 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccnc(N2CCCC2)c1 1116187279 MWWASDLBJQXXRP-UHFFFAOYSA-N 321.337 -0.315 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)C(C)C)cccc1C(N)=O 1320348810 DRJVERSUYGHUHW-UHFFFAOYSA-N 306.322 -0.164 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CO[C@H]1CCOC1 1324107738 OSNRADGTSJURCY-MNOVXSKESA-N 316.354 -0.083 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nnc(O)n2c1 1326380557 HZHAQVAQMOIGIZ-VXNVDRBHSA-N 305.294 -0.379 50 20 DBGD COc1cc(F)cc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 1328640178 YPUFVROQIKEUCU-JHJVBQTASA-N 312.297 -0.310 50 20 DBGD CCOC(=O)C[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 1329268152 QZAQGTOAXPWLCS-CYBMUJFWSA-N 305.139 -0.076 50 20 DBGD COCCOCC(=O)NNC(=O)CN(C)Cc1ccccc1 1329609140 SYNNQBVQBVJTAP-UHFFFAOYSA-N 309.366 -0.071 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2CCC2)c(=O)c2cnn(C)c21 1339549849 VENBKHJZGVRQRE-UHFFFAOYSA-N 303.322 -0.167 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1347435008 MBSCPPUUKJBZOH-AWEZNQCLSA-N 306.322 -0.017 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1cccc(Cl)n1 1592941935 RURWQMBZTBDOTG-UHFFFAOYSA-N 320.704 -0.350 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@@H](O)C1)c1ccc(-c2nn[nH]n2)cc1 1593156099 LAIGXHINDBIAFN-AOOOYVTPSA-N 302.294 -0.601 50 20 DBGD O=C(O)COCC(=O)NNC(=O)COc1ccc(F)cc1 1595107024 JKICUJBNPWIAQQ-UHFFFAOYSA-N 300.242 -0.547 50 20 DBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1601379502 VJCKYRPFXPXYAD-KXUCPTDWSA-N 308.294 -0.704 50 20 DBGD Cn1c(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1C(=O)O 1608087566 OWGBAQMXNOPOFT-MRVPVSSYSA-N 313.335 -0.392 50 20 DBGD CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1842836554 XQNHOPXVGHQRLY-QMMMGPOBSA-N 305.737 -0.188 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)[nH]n1 170633495 OOFUXVIRTHHJMS-UHFFFAOYSA-N 307.335 -0.029 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 265779480 KCBUEKYVDRREJV-SNVBAGLBSA-N 321.293 -0.231 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCc2nc(N(C)C)no2)[nH]n1 275577685 ITSIUPSNGMCDIX-UHFFFAOYSA-N 307.314 -0.439 50 20 DBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)C(C)(C)O)c1 276314958 VNKKFCMDPHEIQD-UHFFFAOYSA-N 315.351 -0.826 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)CCOc2ccccc2)O1 279902209 WBRMSRHXVVVZNO-RYUDHWBXSA-N 321.333 -0.364 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)CN1CCCC1=O 299026922 HYQIHDFMCDOLKD-UHFFFAOYSA-N 309.297 -0.026 50 20 DBGD COC[C@H](C)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584946929 ATQKDSGKEYHRCX-NSHDSACASA-N 324.161 -0.702 50 20 DBGD CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2cccc(B(O)O)c2)[C@H]31 584988391 MOSPKEDWNKLVKL-XSXPHNMFSA-N 301.151 -0.138 50 20 DBGD C[C@@H]1NC(=O)CC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 585002295 SLWXJCYNZYEPKI-WCBMZHEXSA-N 308.118 -0.850 50 20 DBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)c1cccnc1 727482967 ZPPXRVYUZNLMCE-UHFFFAOYSA-N 314.301 -0.022 50 20 DBGD COCCCNC(=O)NNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 729344343 SLGKQDQINJWURT-UHFFFAOYSA-N 300.275 -0.393 50 20 DBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CCC1 732143087 QVOZHNBCGQDBTK-SNVBAGLBSA-N 303.384 -0.252 50 20 DBGD CNC(=O)NNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 736878972 MGSKTESVJPNEHL-UHFFFAOYSA-N 307.339 -0.081 50 20 DBGD O=C(Cn1cnc(C(=O)O)n1)NNC(=O)c1ccc(F)cc1 739362422 VOKQSFZDXIFVOX-UHFFFAOYSA-N 307.241 -0.423 50 20 DBGD COc1cc(C)nc(NNC(=O)C[C@H]2SC(=N)NC2=O)n1 746632354 CQMUUGYHHHLXQT-ZCFIWIBFSA-N 310.339 -0.207 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]1 747629706 KYAZXZHFHBMFKU-QMMMGPOBSA-N 313.335 -0.314 50 20 DBGD O=C(CCOC[C@H]1CCCO1)NNC(=O)C(=O)N1CCCC1 748240087 QBFWYMAITPZQSA-LLVKDONJSA-N 313.354 -0.658 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccsc1 758038437 FJOCSQRAZLAEOP-JGVFFNPUSA-N 319.408 -0.063 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@H]1CCCCO1 758040724 RHCPEFFAEPUROX-VHSXEESVSA-N 321.399 -0.579 50 20 DBGD O=C(CN1C[C@H](CO)Oc2ccccc21)NNC(=O)C1CC1 759747090 CSRQGJWVGWAENS-LLVKDONJSA-N 305.334 -0.196 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(=O)c(OC)co1 798672807 BFRQSOITCJLVRW-SSDOTTSWSA-N 312.278 -0.249 50 20 DBGD Cn1ncc(C=NNC(=O)CNC(=O)c2cccnc2)c1N 814873675 MPMLYKIWLHNDQO-UHFFFAOYSA-N 301.310 -0.723 50 20 DBGD O=C(CCn1c(=O)nc(O)c2ccccc21)NNc1nc[nH]n1 816632898 DNBMPTMDCNYBFX-UHFFFAOYSA-N 315.293 -0.246 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)[C@H]1COCCO1)C(=O)O 818627125 OBGMTTJXLWIWFQ-SECBINFHSA-N 317.342 -0.377 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCn2cnnc2[C@H]1C 827276286 ZLKLGXBHHDHDEZ-UTLUCORTSA-N 308.342 -0.180 50 20 DBGD CC(C)N1C[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 836349012 JPBMEMVNNUYEPW-MNOVXSKESA-N 312.370 -0.105 50 20 DBGD CCCN1C[C@H](C(=O)NNC(=O)NCCCOC)CC1=O 840289360 YNZIACJBWMUPNE-SNVBAGLBSA-N 300.359 -0.388 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)nn1 855185872 DKCLQERDJSOGNS-UHFFFAOYSA-N 322.285 -0.884 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cc[nH]n1)n1nnnc1C(C)(C)C 855357449 JPWFCMUDFLMHJS-SSDOTTSWSA-N 306.330 -0.284 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C 862457603 LYKPUCMRPQWOQF-NSHDSACASA-N 321.333 -0.192 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NN=c1cc[nH]c(C)c1 862514587 RDBUARWYKHWNOD-UHFFFAOYSA-N 300.384 -0.025 50 20 DBGD COc1cc(CO)ccc1C(=O)NNC(=O)N1CCN(C)CC1 908055276 OLYGSNSVSYDHNT-UHFFFAOYSA-N 322.365 -0.211 50 20 DBGD C[C@H](O)CN(C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 910172629 DMWCCJRUFSQKLU-WDEREUQCSA-N 319.365 -0.331 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccccc1 915637050 DSZXXQBOGXXVQO-UHFFFAOYSA-N 323.378 -0.134 50 20 DBGD CNC(=O)NNC(=O)/C(=C\c1ccccc1)n1nnnc1C 920744253 BDBMKHURPKBHSO-DHZHZOJOSA-N 301.310 -0.060 50 20 DBGD O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1cc(B(O)O)ccc1F 923747266 HSXVGRHKOVBWFI-MNOVXSKESA-N 311.118 -0.835 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C)ccc1Cl 1116712198 UAYPLQPRDADYQA-UHFFFAOYSA-N 313.697 -0.093 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 1116713182 VVDKSTRIOQVYQP-UHFFFAOYSA-N 321.337 -0.323 50 20 DBGD CN(C)[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 1318521945 ZDCWDZIQGWPSHF-QWRGUYRKSA-N 311.386 -0.532 50 20 DBGD CCn1nc(C)c(S(=O)(=O)NNC(=O)c2cnccn2)c1C 1319067850 UYOXQTWDBCNFKD-UHFFFAOYSA-N 324.366 -0.067 50 20 DBGD CN(C)S(=O)(=O)NNC(=O)c1cncn1-c1ccccc1 1319085190 YHKSDSQMJCVFPD-UHFFFAOYSA-N 309.351 -0.087 50 20 DBGD O=C(CCc1ccoc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319164287 QHOZZKUAXHKWNJ-SNVBAGLBSA-N 300.336 -0.206 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 1320542525 CUEMFEZKRIGKQJ-UHFFFAOYSA-N 308.250 -0.657 50 20 DBGD Cn1ccc(NNC(=O)C2CCN(S(C)(=O)=O)CC2)n1 1321389332 UWTOAJCOMFXJOW-UHFFFAOYSA-N 301.372 -0.465 50 20 DBGD CN(CC(=O)NNc1nncc(N)c1Cl)S(C)(=O)=O 1324009422 QBRSAWFSIHKOQQ-UHFFFAOYSA-N 308.751 -0.953 50 20 DBGD COCC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 1325942517 DKAWIIAWNAVECT-LLVKDONJSA-N 318.395 -0.034 50 20 DBGD Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329173701 YIDNGNMQKVXCJH-MRVPVSSYSA-N 321.337 -0.346 50 20 DBGD Cc1csc2ncc(C(=O)N3CC[C@@H](B(O)O)C3)c(=O)n12 1329213947 CDBVGSWNLLHUPG-MRVPVSSYSA-N 307.140 -0.247 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1nncc(N)c1Cl 1340554660 IYZQLODSRPFXCQ-UHFFFAOYSA-N 308.751 -0.905 50 20 DBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)C1CCOCC1 1353034436 HJOYVWZKTSGTFI-ZYHUDNBSSA-N 315.370 -0.063 50 20 DBGD C[C@H](CC(=O)O)NC(=O)NNC(=O)CNC(=O)c1ccco1 1589002197 SIUWVUATRUJBAL-SSDOTTSWSA-N 312.282 -0.797 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)N(C)Cc1ccccc1 1592676091 KPEHAVASNONPRY-JTQLQIEISA-N 308.338 -0.078 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1coc(-c2nn[nH]n2)c1 1592927557 OZEVYXBDAXQTBQ-UHFFFAOYSA-N 313.277 -0.142 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(C)cc1-c1nn[nH]n1 1603974231 CKXRLJHFSXLNRF-UHFFFAOYSA-N 310.339 -0.105 50 20 DBGD Cc1nc(C(=O)NNC(=O)C(C)(C)O)ccc1-c1nn[nH]n1 1609447893 GNYMCHIWGNNNJY-UHFFFAOYSA-N 305.298 -0.898 50 20 DBGD CNCCCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842915833 WLMSWNUPNCSZAF-NSHDSACASA-N 317.817 -0.211 50 20 DBGD O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)C1CC1 70671523 KIRWGRAAAJHHLE-UHFFFAOYSA-N 317.392 -0.026 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(C(=O)NC2CC2)cc1 124362976 LTWYUJPYYIIOTP-UHFFFAOYSA-N 304.350 -0.099 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CC(=O)N(C)C1 267468409 BRJFVKJXCYRKAE-LLVKDONJSA-N 320.349 -0.201 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc[nH]1 269284995 BWMCDALRTMUASB-SECBINFHSA-N 316.383 -0.260 50 20 DBGD CSc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)o1 273374371 FSAUQQYSPBHFNE-LURJTMIESA-N 321.380 -0.300 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2Cc3cc(F)ccc3O2)c1=O 365840810 NIUNLSVWSSCUQY-LLVKDONJSA-N 304.281 0.366 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(c2cnccn2)CC1 584928058 MTFKMOJSLYAOLP-UHFFFAOYSA-N 312.138 -0.881 50 20 DBGD Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584929101 NMTKCLDXUVNYGO-GFCCVEGCSA-N 314.154 -0.485 50 20 DBGD CC(C)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)N(C)C 584930203 UFWBVQXEOZOHJU-LBPRGKRZSA-N 310.134 -0.652 50 20 DBGD CC(C)(O)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584941600 LOMWOXDMXHHNQC-UHFFFAOYSA-N 324.161 -0.966 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1CC(C)(C)O 584978965 HAECTWNJURIHMX-GFCCVEGCSA-N 320.198 -0.716 50 20 DBGD COC(=O)c1ncn(CC(=O)NNC(=O)c2ccc(F)cc2)n1 728148500 JWXRBDNVPQPQTR-UHFFFAOYSA-N 321.268 -0.335 50 20 DBGD NC(=O)CNC(=S)NNC(=O)Cn1ccc2ccccc21 729646442 XGZMDPWENNBBJT-UHFFFAOYSA-N 305.363 -0.378 50 20 DBGD O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NNC(=O)C1CC1 733198501 IEMDYQALWUDJCG-PSASIEDQSA-N 309.288 -0.069 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ncnc2[nH]cnc12 743474308 ZRBLSBCNQDEEMH-UHFFFAOYSA-N 313.343 -0.876 50 20 DBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(C)=O)c1=O 746044644 AASLCVZQZIORGA-UHFFFAOYSA-N 304.306 -0.650 50 20 DBGD Cn1nccc1C(=O)NNC(=O)CNC(=O)c1cccs1 751212896 ZDQOCTSTFRETHU-UHFFFAOYSA-N 307.335 -0.327 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc2c(c1)oc(=O)n2C 754972346 FEPBGLSCJWBOJR-UHFFFAOYSA-N 306.278 -0.062 50 20 DBGD Cn1cc(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)nn1 755541169 GXKDVHKWPOXASS-UHFFFAOYSA-N 311.305 -0.174 50 20 DBGD Cc1oc(C(=O)NNC(=O)c2ccoc2)cc1S(N)(=O)=O 755651022 ZLZCOMNRYDFTLQ-UHFFFAOYSA-N 313.291 -0.097 50 20 DBGD CCNC(=O)NNC(=O)c1cc(C)ccc1S(N)(=O)=O 767326788 HMIXFFIFMMYFHI-UHFFFAOYSA-N 300.340 -0.394 50 20 DBGD C[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)N1C(=O)CCC1=O 773862952 ZPJXWNSJGUJUCE-YFKPBYRVSA-N 312.717 -0.307 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1NC(=O)O[C@@H]1C 786075239 VELGKZRJLCUXOI-KHQFGBGNSA-N 315.326 -0.392 50 20 DBGD CC(C)NC(=O)C(=O)NN=C1CCC[C@@H](S(C)(=O)=O)C1 788423193 SXQWOAAPURSRCW-SNVBAGLBSA-N 303.384 -0.030 50 20 DBGD O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)C(=O)N1CCCC1 793306470 ZRPPJQKYCUUWPG-UHFFFAOYSA-N 315.333 -0.125 50 20 DBGD CS(=O)(=O)C1(C(=O)NNc2ncnc3[nH]cnc23)CCC1 816929995 RQPAZZRRSDNNJW-UHFFFAOYSA-N 310.339 -0.237 50 20 DBGD Cc1c(C(=O)NN(C)C2CC2)cnc2c1c(=O)n(C)c(=O)n2C 819649150 HYAGIDYJOUFEHU-UHFFFAOYSA-N 317.349 -0.320 50 20 DBGD C[C@@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCCCO1 839705426 FZGDZIKSNFYFSP-HNNXBMFYSA-N 320.349 -0.082 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)NCC(F)(F)F)n1 847117985 ZQHFVGQCTOPJPW-UHFFFAOYSA-N 323.279 -0.137 50 20 DBGD C[C@@]1(NNC(=O)NCC2(N)CCCC2)CCS(=O)(=O)C1 851670943 CHDUSXCXHPHNGQ-LLVKDONJSA-N 304.416 -0.361 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 854926973 RTUZUDKCEAAZEL-RDDDGLTNSA-N 302.425 -0.092 50 20 DBGD O=C(CN1CCOCC1=O)NNC(=S)NCC1CCC1 855090479 XGZZUGVCWZRINO-UHFFFAOYSA-N 300.384 -0.859 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CN1C1CC1 858289229 WIPJTHFBVITVGL-YWVKMMECSA-N 309.370 -0.779 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2COc3ccccc32)N1 858463958 FVZOFYUQHSTSKU-ONGXEEELSA-N 318.333 -0.228 50 20 DBGD O=C(CSCc1ccncc1)NNC(=O)[C@H]1CCC(=O)N1 862453444 VMLMFAXXONGFLY-SNVBAGLBSA-N 308.363 -0.259 50 20 DBGD CO[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461552 PVOPHXPZKHAPBV-VXGBXAGGSA-N 305.334 -0.330 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)c(O)c1O 863464428 OQMJZGXRHZEIMU-UHFFFAOYSA-N 302.308 -0.788 50 20 DBGD CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(B(O)O)ccc1F 863877267 CFDXMVMTSVFJEG-LBPRGKRZSA-N 310.134 -0.604 50 20 DBGD COC(=O)C1(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)CCCC1 864233037 UOIHMIKIHLJEIX-SNVBAGLBSA-N 319.188 -0.402 50 20 DBGD CN1CCN(CC(=O)NNC(=S)NC(C)(C)C)CC1=O 899995705 BCVLPLZZTWODOM-UHFFFAOYSA-N 301.416 -0.946 50 20 DBGD COc1ccnc(NNC(=O)CCC(=O)N2CCC(O)CC2)n1 1116420264 RDHOOLFOQWJKDC-UHFFFAOYSA-N 323.353 -0.308 50 20 DBGD CN(C)N(C(=O)/C=C\c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1248442152 FKTFGMSYOXMFON-RXNFCKPNSA-N 312.395 -0.074 50 20 DBGD CNC(=O)NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 1319341639 NTCZKQCMKJIRCW-ZDUSSCGKSA-N 305.294 -0.685 50 20 DBGD C#CCNC(=S)NNC(=O)c1nn(C)c(=O)c2ccccc12 1319517107 JOFYADKUCKKZIU-UHFFFAOYSA-N 315.358 -0.324 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccn(CC(F)F)n1 1320604723 DDGHMRXUXNYFRD-UHFFFAOYSA-N 318.284 -0.221 50 20 DBGD O=C(NN=Cc1ncc(C2OCCO2)s1)C(=O)NC1CC1 1322093047 UQCHIWHJBXCOJE-UHFFFAOYSA-N 310.335 -0.083 50 20 DBGD Cn1ccnc(NNC(=O)CNC(=O)c2ccc(O)cc2)c1=O 1323508621 PTXOPOFDOGZNFD-UHFFFAOYSA-N 317.305 -0.641 50 20 DBGD C[C@@]1(CCCC(=O)NNc2ncc(F)cn2)NC(=O)NC1=O 1324521299 TYPPORWCQVCMEH-LBPRGKRZSA-N 310.289 -0.173 50 20 DBGD CC(=O)NNC(=O)CCc1c(C)nc2[nH]n(C)c(=O)c2c1C 1325099457 IDGMGRJVDHLODH-UHFFFAOYSA-N 305.338 -0.022 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(NC(C)=O)c1 1325519754 OHWHCMOLSOQUKQ-UHFFFAOYSA-N 308.294 -0.623 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1325819970 JFNYUYBGUOETPZ-UHFFFAOYSA-N 312.355 -0.129 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)n1 1326972695 HTLQFGZUJHJUEH-UHFFFAOYSA-N 314.313 -0.142 50 20 DBGD O=C(NCCCOC[C@@H]1CCOC1)NNC(=O)c1cn[nH]c1 1328699588 IIDMCDBVTGLXES-JTQLQIEISA-N 311.342 -0.203 50 20 DBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1329746734 YPPAYKJQHWZQFU-UHFFFAOYSA-N 303.344 -0.823 50 20 DBGD Cc1cc(S(N)(=O)=O)oc1C(=O)NNC(=S)NC(C)C 1330705457 TZYYMSQERRUPHX-UHFFFAOYSA-N 320.396 -0.247 50 20 DBGD COC(=O)Cc1occc1C(=O)NNC(=O)C(=O)NC1CC1 1340140170 MYSNAWKSSZNHIA-UHFFFAOYSA-N 309.278 -0.965 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CN1C(=O)CNC1=O 1342028606 BHSRFWSZHFJECF-UHFFFAOYSA-N 306.278 -0.532 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)Cc2cccnc2)nn1 1350441313 CIWXTBQCGVLTHH-UHFFFAOYSA-N 303.326 -0.234 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 1593804857 VYXTZJDVOHIRDK-VHSXEESVSA-N 321.289 -0.197 50 20 DBGD C=CCNC(=S)NNC(=O)Cc1noc(C)c1-c1nn[nH]n1 1609058594 IWTJPCDZEBSJKY-UHFFFAOYSA-N 322.354 -0.613 50 20 DBGD COCC(=O)Nc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1610241743 OJPDUKDKQLFKMZ-UHFFFAOYSA-N 324.293 -0.814 50 20 DBGD NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NNC(=O)C(=O)O 1610636666 LMPFCVWIYKXTDO-MRVPVSSYSA-N 319.239 -0.193 50 20 DBGD O=C1CN(CCNC(=O)NNc2cccc(C(=O)O)c2)CCN1 1610886389 UWGRWQFHMOMWJV-UHFFFAOYSA-N 321.337 -0.557 50 20 DBGD O=C([C@H]1CCOC1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847568565 YVBLOFDRXUJFCH-BJDJZHNGSA-N 316.785 -0.176 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CCN2C(=O)CCC2=O)n1 61493009 NLPAADXWNVSQEP-UHFFFAOYSA-N 321.337 -0.814 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)Cc1cccnc1)C(C)C 265893380 ZXDIXTDPOVZGCY-AWEZNQCLSA-N 322.365 -0.441 50 20 DBGD CCOC(=O)NCCCC(=O)NNC(=O)C(=O)NC(C)C 269716041 SAOMULPMYOXYLQ-UHFFFAOYSA-N 302.331 -0.815 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(Cl)n1 273355922 BYFIICXEWROUPX-LURJTMIESA-N 320.758 -0.566 50 20 DBGD COc1cc(C(=O)NNC(=S)NCCSC)nn1C 274833358 SHNSPOBUHOOSQV-UHFFFAOYSA-N 303.413 -0.099 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@](C)(O)Cn1c(C)cccc1=O 280300101 MTJAOFVUSCOXQP-CQSZACIVSA-N 310.354 -0.400 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc([N+](=O)[O-])cnc2O)CC1 287733966 HCQDCQMMUPGBHE-UHFFFAOYSA-N 324.297 -0.703 50 20 DBGD CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 371100269 OZSLBJILDRZKQG-AXFHLTTASA-N 324.381 -0.201 50 20 DBGD O=C1C[C@@H](C(F)(F)F)[C@@H](C(=O)Nc2cccc(B(O)O)c2)N1 584914163 QSHSMIWWVQZPLC-SCZZXKLOSA-N 316.044 -0.628 50 20 DBGD CN1[C@H]2CC[C@H]1CN(C(=O)c1cc(B(O)O)ccc1F)CC2 584955732 UFBYHQBIMDKAAH-RYUDHWBXSA-N 306.146 -0.186 50 20 DBGD CNC(=O)[C@H](CCSC)NCc1ccc(B(O)O)cc1F 585041898 XGPQEGBMSYSYPQ-LBPRGKRZSA-N 314.191 -0.537 50 20 DBGD CCN1CCO[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)C1 585052488 NVDVBLODNRVYNR-GFCCVEGCSA-N 303.127 -0.190 50 20 DBGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCB(O)O 585055480 BVBYAZZOPDXTCK-IZZDOVSWSA-N 305.078 -0.753 50 20 DBGD NC(=O)CSCC(=O)NNC(=O)NCCc1cccs1 735654668 PWYDJOWFKMCOPT-UHFFFAOYSA-N 316.408 -0.161 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)NC1CCCC1 744060630 OHESQKNXXCFLOT-UHFFFAOYSA-N 312.370 -0.102 50 20 DBGD NC(=O)CCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 746349580 SGQMSIJHRPIKHB-UHFFFAOYSA-N 307.306 -0.126 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)CN(C)C)cc(OC)c1 764205092 YVLMTVKNDWNAPB-UHFFFAOYSA-N 324.337 -0.649 50 20 DBGD CN1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 764345816 XFLJVUDFACYFMK-GFCCVEGCSA-N 319.365 -0.557 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)c(C)c1 768413665 UORBDRLGTIWSJX-UHFFFAOYSA-N 314.367 -0.051 50 20 DBGD C[C@@H](NC(=O)NNC(=O)CC(F)(F)F)[C@@H]1CN(C)CCO1 770437796 MGNOXNMXFZQOFX-SFYZADRCSA-N 312.292 -0.012 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C(N)=O)cs1 772041328 JGLFFMZYEJOQPS-LURJTMIESA-N 313.335 -0.050 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)CNC(=O)C2CC2)nc1C 778424611 XWAWIBRMSPTHCR-UHFFFAOYSA-N 321.337 -0.069 50 20 DBGD COC(=O)C[C@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 805819451 QORQDNPHJAUIBS-JTQLQIEISA-N 315.370 -0.556 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNc1ncncc1Cl 811977777 RFXJKBAVNBQZEZ-UHFFFAOYSA-N 322.778 -0.353 50 20 DBGD O=Cc1c[nH]c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 815228591 ZGQSACFKEPJJJN-UHFFFAOYSA-N 304.262 -0.389 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 823928270 LYICGKQJZVKGDB-BDJLRTHQSA-N 321.377 -0.263 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](CC(=O)O)C1 826754686 QIOOEDXRCLIOHG-QWRGUYRKSA-N 315.370 -0.256 50 20 DBGD CCN(CCS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 827283359 PYULEJWHYBREPG-UWVGGRQHSA-N 321.399 -0.481 50 20 DBGD O=C(NCc1ccc(C(=O)O)o1)NNC(=O)[C@@H]1COCCO1 833144618 JMNWZOMKCNJKQN-VIFPVBQESA-N 313.266 -0.776 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@]1(C(=O)O)CCOC1 833473880 PZGLNTHXOPZCAW-ZANVPECISA-N 301.343 -0.598 50 20 DBGD NC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1 845445031 FPHVGIJOTMYLQI-DTORHVGOSA-N 322.321 -0.635 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCC1CCNCC1 846213973 IMERVZMQGWBNNI-NSHDSACASA-N 316.402 -0.242 50 20 DBGD Cc1ccc(NNC(=O)CNS(=O)(=O)N(C)C)cc1F 856227854 MCTMGGCMUOUNPL-UHFFFAOYSA-N 304.347 -0.027 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1cccc(Cl)n1 857326385 WSUCBCMVMFVGMT-UHFFFAOYSA-N 320.758 -0.565 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2cn[nH]c2)c(=O)c1 862469876 DKAFGJSFVJDXSV-AWEZNQCLSA-N 319.321 -0.908 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)CCCCl 882013519 MNAFIHMIWBPLED-SECBINFHSA-N 318.848 -0.041 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)cc1OC 915685463 DLUPAGCZYCOQGA-JTQLQIEISA-N 321.333 -0.009 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1n[nH]c(O)n1 918285457 IOTFNFBWSJORDJ-ZCFIWIBFSA-N 309.257 -0.122 50 20 DBGD CN(C)C1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 923013343 VODSMBVIDFWTHU-NSHDSACASA-N 304.416 -0.538 50 20 DBGD COCc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1261999460 RITGAMNYMMEUEF-ZETCQYMHSA-N 312.351 -0.362 50 20 DBGD C[C@H](O)CN(C)NC(=O)Cc1ccccc1NS(C)(=O)=O 1262177895 KBNWGKWNUVABHA-JTQLQIEISA-N 315.395 -0.056 50 20 DBGD COc1cc(C(=O)NNC(=O)N(C)C)ccc1OCC(N)=O 1318076393 VDCGWURROGOVRX-UHFFFAOYSA-N 310.310 -0.525 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1cccc(C#N)c1 1318267512 FRUSKLXEXDTUFT-UHFFFAOYSA-N 304.306 -0.528 50 20 DBGD CCCNC(=O)NNC(=O)c1coc(S(=O)(=O)NC)c1 1319589158 ZKOSIGLEWFDYAK-UHFFFAOYSA-N 304.328 -0.458 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC)c1 1321186596 VZDNGZZXOVZYMN-UHFFFAOYSA-N 308.294 -0.238 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 1321624733 KRXJHBSJISMOQC-UHFFFAOYSA-N 319.383 -0.986 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1=CCOCC1 1322418290 UHIPWLGUCCIMRR-UHFFFAOYSA-N 309.347 -0.028 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)Cc1cccnc1)CC2 1324588745 YRGHURAEDMNMGD-LLVKDONJSA-N 314.349 -0.295 50 20 DBGD NC(=O)C(=O)NN=Cc1ccccc1OCC(=O)NCC1CC1 1328474759 PGTQMYZYZFUKQU-UHFFFAOYSA-N 318.333 -0.473 50 20 DBGD CN(CCC1CCOCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331530064 ASSJMAGDGKOTDA-LLVKDONJSA-N 312.370 -0.246 50 20 DBGD CC1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc2O1 1342607133 LIZRGUOPNVSPRD-UHFFFAOYSA-N 323.305 -0.338 50 20 DBGD COC(=O)[C@H]1CNCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1 1578797696 SNYBCVLOPZGLDY-XEVNVYFWSA-N 317.349 -0.309 50 20 DBGD COC(=O)c1ccc(N2CC[C@@H](B(O)O)C2)c(-c2nn[nH]n2)n1 1591293413 DNWHKPWIZULPSD-SSDOTTSWSA-N 318.102 -0.899 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)n1 1595151745 OEINCFDTICJNLF-IWSPIJDZSA-N 323.309 -0.312 50 20 DBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)Cc2ccccn2)n1 1600936275 IXPWECGBANUUHJ-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@H](C(=O)O)C1 1604359023 SVPKJBHHPCAHTE-YUMQZZPRSA-N 305.356 -0.329 50 20 DBGD Cc1cccc(-n2cc(C(=O)NNC(=O)CN(C)C)nn2)c1 113424298 GDGYLGUXUMCWIT-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2CN(C)CCN2C)n1 266975997 QTOWZJFNLFSEAY-LLVKDONJSA-N 323.401 -0.334 50 20 DBGD CCn1c(NNC(=O)[C@H](CN)OC)nc2ccccc2c1=O 289585004 MPQQDKJTKNIJME-NSHDSACASA-N 305.338 -0.167 50 20 DBGD O=C(CN1C(=O)COc2ccccc21)NNC(=O)NC1CC1 298345137 IPQQYWVJQMWARG-UHFFFAOYSA-N 304.306 -0.095 50 20 DBGD O=C(O)C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 390315408 HBTNSQCEMJFZMD-GFCCVEGCSA-N 321.333 -0.377 50 20 DBGD CN1CCN(CCCCNC(=O)c2cccc(B(O)O)c2)CC1 584928853 MKMVVRFSEYEFJC-UHFFFAOYSA-N 319.214 -0.876 50 20 DBGD C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(B(O)O)ccc1F 584949087 GGHSZJMIIFUKPE-HZMBPMFUSA-N 308.162 -0.082 50 20 DBGD CCO[C@H]1COCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584976757 SBKKCQYHSFJBMV-OLZOCXBDSA-N 311.118 -0.571 50 20 DBGD CCS(=O)(=O)CCCNC(=O)c1cc(B(O)O)ccc1F 584999662 HAEFQHSTKVFAPY-UHFFFAOYSA-N 317.147 -0.940 50 20 DBGD CO[C@@]1(CO)CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 585007657 YNZBDFMCSKFATJ-AWEZNQCLSA-N 311.118 -0.881 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](N2CCOCC2)C1 585008839 NFSVMFFWAINISV-GFCCVEGCSA-N 322.145 -0.948 50 20 DBGD OC[C@H](CNCc1ccc(B(O)O)cc1F)c1cccnc1 585040526 FZDSILSHSHAMFU-ZDUSSCGKSA-N 304.130 -0.234 50 20 DBGD O=C1CC[C@H](NCc2ccc(B(O)O)cc2F)C2(CCC2)N1 585040684 AIWXFJGZKMOKRA-ZDUSSCGKSA-N 306.146 -0.204 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNc1ccc(C#N)cc1 726932567 NUBCRYKWYXTFMB-UHFFFAOYSA-N 303.322 -0.358 50 20 DBGD O=C(O)CSCCNC(=O)NNC(=O)Cc1cccnc1 739862759 ANTVKIXKGRGXCW-UHFFFAOYSA-N 312.351 -0.228 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C1CCC1 742664903 MOIGGRCZZLSDGM-IQIPOGNMSA-N 321.333 -0.904 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(=O)O)[nH]1 749815359 NHOLUHPMKODAKB-ZCFIWIBFSA-N 302.312 -0.899 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 750660259 RCVFJIKWMFUDKZ-SECBINFHSA-N 300.359 -0.247 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)N=c2nc[nH]n2C)c1 757759972 DFEDXGAKBHTUJM-UHFFFAOYSA-N 320.309 -0.279 50 20 DBGD NC(=O)c1cc(C(=O)NNC(=O)COc2ccccc2O)co1 759079401 KUNABDMYRNSRFD-UHFFFAOYSA-N 319.273 -0.076 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnc(Cl)cc1C 764300820 XPBNEWZTEAQVAO-UHFFFAOYSA-N 300.702 -0.224 50 20 DBGD CN(CC(=O)NNC(=O)N1CCOCC1)[C@H]1CCSC1 766839820 ALALFFOOKSRKSN-JTQLQIEISA-N 302.400 -0.503 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CNC2(CO)CCOCC2)c1 777578455 IWLFRYRQDJVFNJ-UHFFFAOYSA-N 321.377 -0.113 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1 788140245 OXODLZIZXKIRJO-UHFFFAOYSA-N 305.290 -0.345 50 20 DBGD NC(=O)c1ccccc1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 788715250 VZMRDNNZQFBNET-JTQLQIEISA-N 324.362 -0.394 50 20 DBGD CCOCC(=O)NNC(=O)NCc1ccc(CC(N)=O)cc1 812483452 MOTHHRZUJIFLRI-UHFFFAOYSA-N 308.338 -0.419 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)CC2 813574450 YYWRMGDRMDAJIJ-VIFPVBQESA-N 315.337 -0.410 50 20 DBGD Cc1nc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c(C)o1 814316848 JHXYTNWYBGGYAF-UHFFFAOYSA-N 317.305 -0.123 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CC1 822434112 OBYIEXBHZPUJEW-UHFFFAOYSA-N 308.363 -0.038 50 20 DBGD CCN1C[C@H](NC(=O)NNC(=O)c2ccccc2O)CC1=O 838673088 UHPQAPQOVIMTGY-SECBINFHSA-N 306.322 -0.043 50 20 DBGD CCCCNC(=O)NNC(=O)CCN1C(=O)CCNC1=S 847392190 OFGCFYOAPLNIKV-UHFFFAOYSA-N 315.399 -0.386 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1cccc(F)n1 856423004 JYHJSZUGQFQUOU-RDDDGLTNSA-N 324.312 -0.743 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccn1 858502237 IPBHZAWXHDCGPC-JTQLQIEISA-N 319.365 -0.032 50 20 DBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 863412868 NYKHHKKDIRYUMB-AEJSXWLSSA-N 318.399 -0.892 50 20 DBGD CC(=O)OCC(C)(C)CC(=O)NNC(=O)CS(C)(=O)=O 863464652 RTEVUHRYTBMLDX-UHFFFAOYSA-N 308.356 -0.842 50 20 DBGD C/C=C\C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCC 863879479 UFEAWQGMERNARE-HSBHDXMMSA-N 305.139 -0.006 50 20 DBGD O=C(NNC(=O)c1cccn1CCN1CCOCC1)NC1CC1 906417831 WDVFJDRKMWIKCG-UHFFFAOYSA-N 321.381 -0.073 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 912693806 KUCOYZCTYPTQIH-UHFFFAOYSA-N 306.234 -0.642 50 20 DBGD C[S@](=O)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1 913730240 NMJHIMFRQXURAF-QFIPXVFZSA-N 323.374 -0.193 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](S(C)(=O)=O)CC1 1116928000 HIMNLBBIBDOZJR-MNOVXSKESA-N 319.427 -0.169 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)NC1CC1 1261498543 IILNAGCPGJQAQI-UHFFFAOYSA-N 312.351 -0.542 50 20 DBGD O=C1CN(c2ccnc(C(=O)NNC(=O)NC3CC3)c2)CCN1 1320749883 BGFFVASLMBPXEC-UHFFFAOYSA-N 318.337 -0.876 50 20 DBGD Cc1noc(C)c1[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1334906673 AOMWQKXXIJTBRG-IMTBSYHQSA-N 309.326 -0.039 50 20 DBGD N#Cc1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1Cl 1337980728 KRFZEAPWRICUGW-UHFFFAOYSA-N 310.697 -0.320 50 20 DBGD O=C(NCc1nnnn1CC1CC1)NNC(=O)c1ccc[nH]1 1342824550 KELIWNNPKRJYII-UHFFFAOYSA-N 304.314 -0.445 50 20 DBGD CN(C)CC[C@H](N)C(=O)NNc1ccccc1S(C)(=O)=O 1346310058 YKCHUADICBRORT-JTQLQIEISA-N 314.411 -0.188 50 20 DBGD CN(C)N(C(=O)C#CC1CCNCC1)[C@H]1CCS(=O)(=O)C1 1578420550 PIOUDZIOXVQJMC-ZDUSSCGKSA-N 313.423 -0.518 50 20 DBGD O=C(CN1CCC2(CC1)CC(C(=O)O)=NO2)NNC(=O)C1CC1 1601307594 CSZYHAQALLIWMV-UHFFFAOYSA-N 324.337 -0.761 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)NC1CC1 143242270 HFDMVYGIXQNINJ-SNVBAGLBSA-N 317.349 -0.077 50 20 DBGD C=CCNC(=S)NNC(=O)CC1(CS(C)(=O)=O)CC1 266999235 CFTUXSUOYCEPAM-UHFFFAOYSA-N 305.425 -0.117 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNc1cccnn1 269967966 RVYRGJWFWVUQHP-SECBINFHSA-N 314.371 -0.473 50 20 DBGD CN(NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 272167004 IRLPBEMYYUCFMR-UHFFFAOYSA-N 309.282 -0.244 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccncc1 272558617 NFSRJCOBJFUEED-AAXDQBDMSA-N 316.317 -0.313 50 20 DBGD COc1ncnc(N(C)C)c1NC(=O)NNC(=O)CN(C)C 274210867 OXMVZPQLRYQKRI-UHFFFAOYSA-N 311.346 -0.735 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNc1nc2ccccn2n1 276855058 JPEMFUDOBWKBNG-QMMMGPOBSA-N 312.355 -0.212 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)NC(C)C)c(=O)c1 279618654 RSURAFDVCHQGIU-CQSZACIVSA-N 310.354 -0.353 50 20 DBGD C=CCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584943613 DYJRBEBNIGPVOP-ZDUSSCGKSA-N 302.139 -0.727 50 20 DBGD CSC[C@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 584962612 ITSUCEHQAHMFCI-VIFPVBQESA-N 301.148 -0.651 50 20 DBGD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(B(O)O)c(F)c1 584979728 CRBUTVWYWTUNEQ-CWSCBRNRSA-N 320.129 -0.769 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@]2(CCCOC2)O1 584984792 ZDTXDAIZUDSCSQ-BLLLJJGKSA-N 319.166 -0.224 50 20 DBGD CO[C@@H]1COCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 584998200 NWPOMRVNSILMTH-TVQRCGJNSA-N 311.118 -0.713 50 20 DBGD O=C(NCB(O)O)[C@@H]1CCCN1c1ncnc2sccc12 585059682 WVMCTVNLUIUMQM-VIFPVBQESA-N 306.156 -0.212 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)COc2ccccc2O)CCC1 730778827 NRWFOCMLBVTZMO-UHFFFAOYSA-N 321.333 -0.165 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 737614778 ZDPAGSSBPGUQHT-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD COC[C@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CCO1 741794320 JAKVPVHHNDVOII-NWDGAFQWSA-N 301.387 -0.084 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ccc(Cl)nc2)c1=O 743818912 SEBOZTKJJCYIIY-UHFFFAOYSA-N 309.713 -0.261 50 20 DBGD CNC(=O)CCN(C)CC(=O)NNC(=O)c1cccc(C)c1 744396542 IQTGWHVFZDELCW-UHFFFAOYSA-N 306.366 -0.176 50 20 DBGD CC(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1cccc(C)c1 744694658 DBLFEYWBMVOUOV-UHFFFAOYSA-N 321.333 -0.222 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCN2c2ncccn2)cn1 747392794 KUSREHKHAZZDLY-LLVKDONJSA-N 315.337 -0.360 50 20 DBGD CC1=C(C(=O)NNC(=O)C(=O)N2CCCC2)C(=O)OC1(C)C 748568873 IMRWMRKEPPFJTL-UHFFFAOYSA-N 309.322 -0.592 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)N2CCOCC2)ccn1 751363780 KBYOQQVYXYYCIA-UHFFFAOYSA-N 308.294 -0.445 50 20 DBGD O=C(CO)NNC(=O)CN1C(=O)COc2ccc(Cl)cc21 753438664 QDGSUPNCVSMSMT-UHFFFAOYSA-N 313.697 -0.795 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccc(C(N)=O)nc2)cn1 757700006 NSXPSTKNUIFBAZ-UHFFFAOYSA-N 303.282 -0.620 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]1(O)CCSC1 765832409 QZLJKUFBNHGCRQ-GFCCVEGCSA-N 303.384 -0.693 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCN(C)C2=O)c1 771875821 UXDZDFSTODIDMX-GFCCVEGCSA-N 321.333 -0.057 50 20 DBGD CC(C)OCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 783800649 WKKXXYWEWWWYLP-SNVBAGLBSA-N 306.384 -0.226 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1cnn(CC(=O)O)c1 828700948 VDSBTRCFMIXTIK-ZETCQYMHSA-N 304.328 -0.677 50 20 DBGD O=C(NCC(=O)N1CCCCC1)NNC(=O)[C@H]1CCCCO1 836237749 BPNFXRQZFKLYHW-LLVKDONJSA-N 312.370 -0.102 50 20 DBGD Cc1nc(CC(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)cs1 839395696 FZGUPUHZMQGJSP-UHFFFAOYSA-N 321.362 -0.458 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)Cc1ccccc1C 845542302 QTBAVYWPZULNJE-UHFFFAOYSA-N 308.338 -0.064 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(n2cnnn2)CC1 849996828 RCNUDLWRYVVOAT-SECBINFHSA-N 324.341 -0.713 50 20 DBGD CNC(=S)N(C)NC(=O)CN1CCN(c2ccccn2)CC1 854923720 GPUBYQPDEXESDW-UHFFFAOYSA-N 322.438 -0.329 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 855006446 OEBVOKHEGBHVRA-IUCAKERBSA-N 310.358 -0.457 50 20 DBGD O=C(NNC(=O)c1c[nH]c2nccc-2c1)C(=O)N1CCCC1 857092852 JTOPHALFCAUQMO-UHFFFAOYSA-N 301.306 -0.102 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2O)N1 862458054 WQSLNMSVPHSYMH-SSDOTTSWSA-N 308.250 -0.660 50 20 DBGD COC(=O)Cn1ncc(NCc2cccc(B(O)O)c2)c1C 863891557 SSGLGYVPRGXYNZ-UHFFFAOYSA-N 303.127 -0.344 50 20 DBGD C=CCN(CC(=O)OCC)C(=O)c1cc(B(O)O)ccc1F 866990081 NPSNLVLGTZWZII-UHFFFAOYSA-N 309.102 -0.303 50 20 DBGD C[C@@]1(Br)C[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913729873 BRCZTYLNYNXPKV-RDDDGLTNSA-N 318.171 -0.070 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F 1323943211 AEPMENOUENNIKO-UHFFFAOYSA-N 305.212 -0.428 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1cnc(C#N)n1 1329445385 INUHAVCEAHURLO-UHFFFAOYSA-N 310.314 -0.914 50 20 DBGD O=C(NCc1ccco1)NNC(=O)C1=NN2CCCN=C2N1 1347380449 NHYHLPDMPHBIGL-UHFFFAOYSA-N 305.298 -0.912 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C(=O)O)C1CC1 1593994894 YKRUHDWOLRHCGT-VIFPVBQESA-N 303.384 -0.029 50 20 DBGD Cn1cc(Cl)cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 48708524 FWCLUEULUOXXCD-ZETCQYMHSA-N 319.770 -0.126 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)NCC2CC2)C1=O 68455769 RJDXLOFXGTYJHF-CQSZACIVSA-N 323.353 -0.553 50 20 DBGD C[C@]1(NNC(=O)NC[C@@H]2CCCCO2)CCS(=O)(=O)C1 140113649 ZODRZPSMJPRAGW-JQWIXIFHSA-N 305.400 -0.064 50 20 DBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)C(=O)NC1CC1 275161389 RMLWXVKVVJLRLN-MRVPVSSYSA-N 312.370 -0.647 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cncn2C)C[C@@H](C)O1 289464517 YMSGRSMMBZHHBV-GHMZBOCLSA-N 309.370 -0.320 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CCn1ncn(C)c1=O 292586613 GIVLPOPUDDDMKT-UHFFFAOYSA-N 303.322 -0.258 50 20 DBGD C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc(B(O)O)ccc1F 584959393 GKRRHQZXABBXGQ-QMMMGPOBSA-N 317.147 -0.942 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CC2(CCOCC2)O1 584982067 DKEGRAWYPIJEFZ-LBPRGKRZSA-N 319.166 -0.224 50 20 DBGD CSC1(CNC(=O)c2cccc(B(O)O)c2)CCN(C)CC1 584990595 GAURTLNCJRPWHK-UHFFFAOYSA-N 322.239 -0.076 50 20 DBGD CC(C)(CNCc1ccc(B(O)O)cc1F)S(C)(=O)=O 585025750 BONSPTQJTYCKHQ-UHFFFAOYSA-N 303.164 -0.582 50 20 DBGD OC[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc(B(O)O)cc1 585034123 IQNXALXKRSSTNT-IAGOWNOFSA-N 315.178 -0.059 50 20 DBGD CNC(=O)CCN(C)CC(=O)NNC(=O)c1ccc(C)cc1 727832427 BBYAMXMKORXQBL-UHFFFAOYSA-N 306.366 -0.176 50 20 DBGD NC(=O)[C@H]1c2ccccc2CCN1CC(=O)NNC(=O)C1CC1 733198421 FXQSJXBNADBLAG-CQSZACIVSA-N 316.361 -0.372 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 733359319 MEAGGXSTHZCKEZ-UHFFFAOYSA-N 324.293 -0.311 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1cnccn1 743412415 JASNQGWMFSWFBA-VNOQCFOKSA-N 317.305 -0.918 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c[nH]1 753162550 LYIZEPGMZFTXHW-SECBINFHSA-N 313.335 -0.314 50 20 DBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)Cc1cc[nH]n1 755277835 VYJKWMSQUZLYKI-UHFFFAOYSA-N 307.354 -0.204 50 20 DBGD COC(=O)Cn1cc(S(=O)(=O)N2CC=C(C#N)CC2)cn1 759081568 MGJYQGKTJHKDCN-UHFFFAOYSA-N 310.335 -0.100 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2nccn2C)CC1 760875853 OTIDXZJCEQJQAN-LLVKDONJSA-N 308.386 -0.512 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)c(OC)n1 764338910 NALYEYSJBYUUCO-UHFFFAOYSA-N 322.321 -0.015 50 20 DBGD COC(=O)C1(O)CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 769972280 XNXVLPDECKOVEI-UHFFFAOYSA-N 315.370 -0.820 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN(C)[C@H]1CCSC1 772235720 NGQGVOWVUAYVDB-UWVGGRQHSA-N 317.411 -0.087 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nc[nH]n2)c1 773277133 KTCHEEYECKNTJJ-UHFFFAOYSA-N 309.307 -0.717 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 786826752 JGOSCZLMYIXQOK-UWVGGRQHSA-N 300.359 -0.355 50 20 DBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)N1CCOCC1 787266376 GRFASFWMGMOZPV-GFCCVEGCSA-N 312.370 -0.246 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(C)nn1C 789004067 NCSYAALCJIVEOB-VIFPVBQESA-N 301.372 -0.494 50 20 DBGD O=C(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)C(=O)NC1CC1 792853475 NBNJQCZHSPZLLG-UVDRMBIFSA-N 315.373 -0.194 50 20 DBGD CN1CCN(C(=O)NNC(=O)C(F)(F)C2(O)CCCC2)CC1 807378343 AENDLQKTGXWAKQ-UHFFFAOYSA-N 320.340 -0.085 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)CC1CC1 819132027 WHLLUXGUTPTCKF-NSHDSACASA-N 310.354 -0.939 50 20 DBGD CN(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C1CC1 819645228 CAXLYKNMNJLGPD-UHFFFAOYSA-N 309.347 -0.044 50 20 DBGD C[S@](=O)CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1 821941414 GJBPOIYZBXTMOJ-NRFANRHFSA-N 309.355 -0.129 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cccnc1 822645493 ARQBIGRVQAYFIN-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD CC(C)C(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 824185366 XGRDFLULNDNXOF-UHFFFAOYSA-N 304.314 -0.523 50 20 DBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)[C@@H]1CCCCO1 844663011 IEZMMMGNRTYJGQ-ZETCQYMHSA-N 304.328 -0.556 50 20 DBGD CNC(=O)NNC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 845274390 FQNOBMOWJIJUJP-VIFPVBQESA-N 317.390 -0.208 50 20 DBGD N#Cc1cc(Cl)nc(NNC(=O)[C@H]2CCS(=O)(=O)N2)c1 845906563 BAXAORADTLEWEH-SSDOTTSWSA-N 315.742 -0.259 50 20 DBGD CCOC(=O)[C@H](N)C(=O)NNc1ncc(Br)cn1 852897962 VJYFVAVPCHXZIT-ZCFIWIBFSA-N 318.131 -0.427 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n[nH]1 854180349 KZPJSLQYSCKNEJ-LLVKDONJSA-N 317.305 -0.357 50 20 DBGD CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 854294738 KHGIMNFYAJVTPE-IVZWLZJFSA-N 318.395 -0.228 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 854927221 ZHCUFFNDDZXXDE-NTSWFWBYSA-N 312.317 -0.089 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCCN(CC(F)F)CC1 863877822 KIOXYKCUKPUEOW-UHFFFAOYSA-N 312.125 -0.221 50 20 DBGD C[C@@]1(C(=O)NNC(=O)CN2CCCC2=O)C[C@@H]1Br 913732716 HGQRLKSMUHEAIM-WRWORJQWSA-N 318.171 -0.070 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)C(=O)OC(C)(C)C 1118311563 CYMMIXLYTPCQAV-ZETCQYMHSA-N 303.315 -0.532 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnc2n1CCC2 1261662320 MHJCBNBNBPQZOS-QMMMGPOBSA-N 312.351 -0.975 50 20 DBGD C[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1318737667 VINLOQRDMHLGNY-WDSKDSINSA-N 317.289 -0.298 50 20 DBGD Cn1cnc(C(=O)NNc2nccc(N3CCOCC3)n2)c1 1323067348 ADVOZDZVVSDYST-UHFFFAOYSA-N 303.326 -0.196 50 20 DBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2ncccn2)c1 1337352090 QOPISVYUTOQGFB-UHFFFAOYSA-N 310.339 -0.188 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccn2c(O)nnc12 1349468401 CAUYMASZMKNGMO-SFYZADRCSA-N 305.294 -0.379 50 20 DBGD O=C(NCCCO[C@H]1CCOC1)NNC(=O)C1CCOCC1 1353034318 GIGJKIGRDOUFFE-LBPRGKRZSA-N 315.370 -0.061 50 20 DBGD O=C(O)CCCCC(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1574699695 TUSSYSBVMXCDKI-UHFFFAOYSA-N 306.282 -0.290 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)CN2CCNCC2)c1 1578426747 DNYUYAKBCOPJMG-UHFFFAOYSA-N 305.382 -0.581 50 20 DBGD O=C(NCCC[C@H]1CCCN1)NNC(=O)[C@@H]1COCCO1 1580680217 JXXVHRDNGLERIQ-MNOVXSKESA-N 300.359 -0.736 50 20 DBGD C[C@H](CC(N)=O)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 1589800425 LSSIHCLZURLCDP-RXMQYKEDSA-N 324.732 -0.130 50 20 DBGD CC(C)(CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)O 1590679469 MIDYFKONUSPMRQ-SSDOTTSWSA-N 300.315 -0.904 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)O)[C@@H]1C[C@H](C(=O)O)C1(C)C 1593101590 HRTWHBYMSZBKKH-LYFYHCNISA-N 301.299 -0.463 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CCO[C@H](C(=O)O)C2)n1 1594387988 QCZJFXKVPCOCRF-JTQLQIEISA-N 308.294 -0.470 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 1602127271 LWLBBURMOJHKHS-JTQLQIEISA-N 313.335 -0.552 50 20 DBGD C[C@H](CO)N(C)NC(=O)COc1ccccc1-c1nn[nH]n1 1603566167 GYZXVQUPYLENTG-SECBINFHSA-N 306.326 -0.411 50 20 DBGD CN1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1=O 1604848985 LNIDXHBURCSDFY-SNVBAGLBSA-N 301.310 -0.212 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNC(=O)c1cn[nH]c1 1606592230 PGRDYMFVEFVKQT-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD O=C(O)Cc1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1 1608779611 KLNLYKGMDXBKLG-LLVKDONJSA-N 323.305 -0.118 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)C(=O)O)C[C@@H](C)O1 1610100761 KYXSANYJHSXCKR-KXUCPTDWSA-N 301.343 -0.646 50 20 DBGD O=C(Cn1c(=O)[nH]c2ccccc21)NNC(=O)[C@@H]1CCCO1 77178223 GCQJMCAGFUJUNZ-NSHDSACASA-N 304.306 -0.344 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCCC2)NNC(=O)c1ccc[nH]1 127930074 WASFMIPXEFTTRT-UHFFFAOYSA-N 318.337 -0.440 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)N1 264426330 VCZVIMYSUJVVEY-LDYMZIIASA-N 305.290 -0.748 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccnc(N2CCCC2)n1 265829421 SNPZQIBFGNUSSP-UHFFFAOYSA-N 320.353 -0.237 50 20 DBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)Cc1ccncc1 266965037 AMEYIMPYZYUPPS-LBPRGKRZSA-N 321.381 -0.325 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2O)O1 289644409 WVMPKLJKHLBHAU-WDEREUQCSA-N 308.290 -0.126 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 495788003 XVJIVKFJIUFMRL-UHFFFAOYSA-N 322.321 -0.173 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNC(=O)c2ccc[nH]2)C1 496233356 LNJPNDVPBXMGHZ-UHFFFAOYSA-N 324.337 -0.243 50 20 DBGD COCCN1CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584935387 IMKUJFGKCWBLLE-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD COCCN1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584942477 HZEHPVVJCFJTMJ-LBPRGKRZSA-N 306.171 -0.936 50 20 DBGD C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(B(O)O)c(F)c1 584949720 IXJMITDYRQYAJS-IINYFYTJSA-N 308.162 -0.082 50 20 DBGD CC1(NC(=O)CNC(=O)c2ccc(B(O)O)cc2)CCCCC1 584957244 MYMWRRFQVLGZME-UHFFFAOYSA-N 318.182 -0.065 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)c2ccc(B(O)O)c(F)c2)n1 584975848 ZYNBJOUWXGEYIB-SECBINFHSA-N 321.117 0.162 50 20 DBGD CCCN1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1=O 584979843 HUSQXEPZPNUKSD-UHFFFAOYSA-N 304.155 -0.549 50 20 DBGD O=C(N[C@@H](Cc1ccccc1)C(=O)NCB(O)O)c1ccco1 585055094 XRTYZTNVSYVFOA-LBPRGKRZSA-N 316.122 -0.251 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NN=C1CCCS(=O)(=O)C1 731924805 KJFHYIMBISOPFV-LLVKDONJSA-N 317.411 -0.365 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 732074149 NLBWSPSPVZMCNS-UHFFFAOYSA-N 316.317 -0.036 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)COC[C@@H]2CCCO2)n1 746385437 DBFGUNUWHNGBQV-LBPRGKRZSA-N 310.354 -0.157 50 20 DBGD COC[C@](C)(NCC(=O)NNC(=O)C(C)(C)C)C(=O)OC 754088523 QVLWIKGUOCMSGV-ZDUSSCGKSA-N 303.359 -0.652 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CO)cnn1C1CCCC1 773553200 QWRPQLRUXNRXLQ-UHFFFAOYSA-N 309.326 -0.615 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 780705691 FCOSHLOMSVPRFH-MRVPVSSYSA-N 308.404 -0.357 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccn2c(O)nnc12 780933004 GMWAOWNIQWXUHM-UHFFFAOYSA-N 301.266 -0.459 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnn(C)n2)c1 792519245 ONKHGCROAGVGLW-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD CC(C)n1nccc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 794507364 BDUOLCFMOZYFJT-VIFPVBQESA-N 301.372 -0.148 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)CN1CCOCC1 825660329 MHZCFZUXFBYNHE-WOPDTQHZSA-N 314.386 -0.538 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843974109 MZOMOBHIASFNBQ-WDEREUQCSA-N 314.386 -0.985 50 20 DBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N1 854606486 JHDSCBXLMOJNHY-VIFPVBQESA-N 312.351 -0.732 50 20 DBGD CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1=O 862453020 QQYYXXJYDKFNSW-DCAQKATOSA-N 324.381 -0.551 50 20 DBGD COC(=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862461843 RUJDABNJWDSDKX-LLVKDONJSA-N 319.317 -0.558 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2OCCN(C)C2=O)cc1 899946815 JLKSYLHXVDNCLF-ZDUSSCGKSA-N 321.333 -0.622 50 20 DBGD CCCCS(=O)(=O)CC(=O)NNC(=O)N1CCN(C)CC1 935860497 NXNUMLMLACOEHQ-UHFFFAOYSA-N 320.415 -0.811 50 20 DBGD COc1ccnc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 1261479922 ADTZECWIHYLQME-QMMMGPOBSA-N 313.339 -0.695 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccnc(-n2cncn2)c1 1318075972 KOWACQDIHLORGP-UHFFFAOYSA-N 317.309 -0.651 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)nc1 1318846910 YHQQNSKUFHYGSX-QMMMGPOBSA-N 301.299 -0.584 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc([N+](=O)[O-])cc1 1318941524 JGMLKONCWPOTSI-UHFFFAOYSA-N 310.266 -0.359 50 20 DBGD C[C@]1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCCOC1 1319956937 WLJKENSGSWNJPX-CABZTGNLSA-N 319.383 -0.679 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 1321140759 PUKGIGBHSSRQGV-UHFFFAOYSA-N 304.306 -0.299 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)C(=O)NC1CC1 1321325166 IKVOVYWPOKTNAZ-VIFPVBQESA-N 305.338 -0.734 50 20 DBGD C[C@H](C[S@](C)=O)NC(=O)NNC(=O)c1cccc(F)n1 1330567512 UJHHWZQAIOLYNA-GLEHDBDLSA-N 302.331 -0.068 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1331839618 HBLRMDTUAKCQKN-CQSZACIVSA-N 320.305 -0.506 50 20 DBGD CCOC(=O)[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1578249759 YKYIRGTUNIPRFV-RKDXNWHRSA-N 317.309 -0.096 50 20 DBGD CC(=NNC(=O)N=c1cc[nH]cc1)c1cn(CC(=O)O)nn1 1588485889 OJFHLPZJGWBKJG-UHFFFAOYSA-N 303.282 -0.275 50 20 DBGD CCN1CCc2ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc21 1596444876 UXEQDGHQDOXZOJ-UHFFFAOYSA-N 320.305 -0.761 50 20 DBGD O=C(O)C[C@H](CNC(=O)NNC(=O)[C@H]1COCCO1)C1CC1 1601893909 YHXWCWJNXLEWHZ-NXEZZACHSA-N 315.326 -0.767 50 20 DBGD O=C(O)c1ccc(NNC(=O)c2cnn3c(=O)cc[nH]c23)nc1 1602384490 OLHFKBBJYCTVKC-UHFFFAOYSA-N 314.261 -0.127 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@](C)(O)Cc1ccccc1 266810279 IJBLNDUCNKKXCI-HNNXBMFYSA-N 307.350 -0.348 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(C)cc1O 270504517 OATDVAGIXMSEIH-UHFFFAOYSA-N 309.322 -0.434 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)o1 272644718 MASRZNYGFUBYQS-LDYMZIIASA-N 309.322 -0.375 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1c(F)cccc1F 273489088 MVOHYMNLDWBMDU-ZCFIWIBFSA-N 321.305 -0.337 50 20 DBGD C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 281575614 PAIZHQHZCLTNMM-NEPJUHHUSA-N 324.381 -0.080 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 294629091 QMKAEBILTXYOTJ-YUMQZZPRSA-N 304.441 -0.241 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC(=O)Nc2ccccc21 295587272 MAJJUSMXVNRJGN-SNVBAGLBSA-N 318.333 -0.216 50 20 DBGD COCCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 298683716 VXMKOZQBIPNSDJ-UHFFFAOYSA-N 304.310 -0.150 50 20 DBGD COC(=O)NCC(=O)NNC(=O)COc1ccccc1OC 299233911 QWDMIZBKQXIXOZ-UHFFFAOYSA-N 311.294 -0.423 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)CCCN1C(=O)CNC1=O 490578756 JGDUIQMTPPZYMG-UHFFFAOYSA-N 300.315 -0.126 50 20 DBGD O=C(CNC(=O)c1cccc(B(O)O)c1)NC1CCCCC1 584936859 PMSKEQXPRZPWSN-UHFFFAOYSA-N 304.155 -0.455 50 20 DBGD Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)CC2 584939777 KVEZXQOJXYNFJE-JTQLQIEISA-N 318.117 -0.850 50 20 DBGD C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(B(O)O)ccc1F 584949089 GGHSZJMIIFUKPE-IINYFYTJSA-N 308.162 -0.082 50 20 DBGD O=C1C[C@]2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CN1 584954394 FWZLFNKMRHUCSN-OAHLLOKOSA-N 302.139 -0.891 50 20 DBGD C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584973533 OCFLKLFTCWLDGI-SQFXPLBJSA-N 301.148 -0.656 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 725906760 BKBPQWKOUIPRPK-UHFFFAOYSA-N 320.758 -0.097 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)cn1 745987920 MIYYWYPUUDHGLE-UHFFFAOYSA-N 308.294 -0.445 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccnc(N(C)C)n1 746892142 NMFMCWUVAAFCGP-QMMMGPOBSA-N 301.372 -0.334 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)N=c2nc[nH]n2C)c1 757761071 LNMIOWRAZKJBNX-UHFFFAOYSA-N 318.297 -0.943 50 20 DBGD Cc1cnc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1 779757044 WOXJGRUJNWYYET-SNVBAGLBSA-N 311.363 -0.106 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(CCO)C(C)(C)C1 781960993 PKXLSUMEDFLZKH-UHFFFAOYSA-N 314.430 -0.432 50 20 DBGD Cc1ccccc1NC(=O)NNC(=O)Cn1ncn(C)c1=O 798313526 OQMOSTBTJHLAQS-UHFFFAOYSA-N 304.310 -0.257 50 20 DBGD CN(C)c1ccc(NC(=O)NNC(=O)CS(C)(=O)=O)cc1 802124562 OTJSRDISBQWHRM-UHFFFAOYSA-N 314.367 -0.050 50 20 DBGD CO[C@@H](CS(=O)(=O)NNC(=O)c1ncccn1)C(C)C 842587178 XQRYYTNXUQBIJN-VIFPVBQESA-N 302.356 -0.288 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)nc2n1 843637166 BHCAFSIFEGDRBK-NXEZZACHSA-N 318.337 -0.073 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CS(=O)(=O)C1CC1 854388378 IKJMAMXMYDCNFK-UHFFFAOYSA-N 322.383 -0.500 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C2(n3cnnn3)CC2)c(O)c1 857007490 MOLZAJKMCMECTH-UHFFFAOYSA-N 302.294 -0.363 50 20 DBGD C#C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 858569755 NQAALHOWDQTADV-NEPJUHHUSA-N 300.318 -0.030 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2nnc3ccccn23)N1 860611233 JTDFYHLMFXGXSK-SSDOTTSWSA-N 303.282 -0.839 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1cn[nH]c1 862470682 UUWOPWAKXQFCQO-CQSZACIVSA-N 319.321 -0.908 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C(F)(F)c1ccccc1 863459669 FLZBVCKEVUQAHI-UHFFFAOYSA-N 306.290 -0.030 50 20 DBGD O=C1NC[C@H](Cn2cc(C(=O)NCC(Cl)Cl)nn2)O1 879975999 LGJMQMYWGUNPKG-RXMQYKEDSA-N 308.125 -0.080 50 20 DBGD O=C(NNS(=O)(=O)N1CCCOCC1)C1CCOCC1 882804590 OGNXZEFDKPRASA-UHFFFAOYSA-N 307.372 -0.999 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CNC(=O)NCc1ccc(F)cc1 910174221 CLKNJJRTOZKODS-SNVBAGLBSA-N 312.345 -0.031 50 20 DBGD O=C(N[C@H](CO)C[C@H]1CCCO1)c1cc(B(O)O)ccc1F 923747275 HSXVGRHKOVBWFI-WDEREUQCSA-N 311.118 -0.835 50 20 DBGD COCCn1cc(C(=O)NNC(=O)C2CCOCC2)ccc1=O 1119289860 VKEDNFLUOFYVLJ-UHFFFAOYSA-N 323.349 -0.318 50 20 DBGD O=C(NNC(=O)c1cnn(C[C@@H](O)CO)c1)NC1CCCC1 1327815285 FMYZIOKQJRDINU-LLVKDONJSA-N 311.342 -0.877 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccn(CC(F)F)n1 1337961057 NNBREGHNQOWKKT-UHFFFAOYSA-N 301.253 -0.356 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 1337974225 KZBIQZLOYHRZHB-UHFFFAOYSA-N 322.321 -0.233 50 20 DBGD C[C@@H]1CC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)c2ncnn21 1549316537 SOBOOAOETZUPKH-CKYFFXLPSA-N 304.354 -0.074 50 20 DBGD Cn1c(CC(=O)NNC(=O)[C@H]2COCCN2)nc2ccccc21 1574209461 NVLHMUZLIBHTGH-LLVKDONJSA-N 317.349 -0.748 50 20 DBGD C=CCNC(=S)NNC(=O)c1cn([C@@H]2CCCNCC2)nn1 1574943906 SNPGONKJCUMZAD-SNVBAGLBSA-N 323.426 -0.112 50 20 DBGD CCCN1C[C@@H](C(=O)NN(C)C(=O)N2CCNCC2)CC1=O 1577530267 IJQOWFWKVUCLJZ-NSHDSACASA-N 311.386 -0.767 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CCNCC2=O)cc1F 1578872724 ABIPYNZRTOAJMY-UHFFFAOYSA-N 324.312 -0.513 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)[C@@H]2CCCNC2)cn1 1579324334 JJALMWQLDNLWKW-DOGVGXBMSA-N 305.338 -0.355 50 20 DBGD C=CCNC(=S)NNC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 1588663584 LYPGMOREZGVJLH-UHFFFAOYSA-N 319.350 -0.133 50 20 DBGD O=C(O)COCC(=O)NNC(=O)NCCc1cccs1 1595107383 VLUDJVIITKZPHJ-UHFFFAOYSA-N 301.324 -0.278 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 15639372 XUVJYQKOZCUFCM-SNVBAGLBSA-N 312.347 -0.109 50 20 DBGD O=C(CN1CC[C@H](CN2CCOCC2)C1)NNC(=O)C1CC1 129174422 QELQRTZIFDSXLW-GFCCVEGCSA-N 310.398 -0.802 50 20 DBGD COCCCN(CCO)CC(=O)NNC(=O)c1ccccc1 275425636 IGWZHDAFZLMEKK-UHFFFAOYSA-N 309.366 -0.222 50 20 DBGD CCN1CCCN(C(=O)NNC(=O)Cc2cccnc2)CC1=O 276250943 PSJCQVJISILRKE-UHFFFAOYSA-N 319.365 -0.081 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1cc(Br)cn1 278006198 RHFGQQILSKAFNB-UHFFFAOYSA-N 305.132 -0.436 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C 281089502 GVWJGKKMRXMWJY-LLVKDONJSA-N 318.333 -0.332 50 20 DBGD CC(C)(C)C(=O)NCCC(=O)NNC(=O)C(=O)N1CCCC1 299561298 NLGWLKJSSQGWKK-UHFFFAOYSA-N 312.370 -0.691 50 20 DBGD CN(C)[C@@H](Cn1cccn1)C(=O)Nc1cccc(B(O)O)c1 584913365 UVUVTSAKELUUHX-ZDUSSCGKSA-N 302.143 -0.868 50 20 DBGD Cc1noc(CCCNC(=O)c2ccc(B(O)O)c(F)c2)n1 584939201 GUYPOSDAJZVCKA-UHFFFAOYSA-N 307.090 -0.440 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](C)N1CCOCC1 584941757 OOCIVZRCQZUXIB-WDEREUQCSA-N 324.161 -0.656 50 20 DBGD CCC[C@@]1(C)C(=O)NCCN1C(=O)c1ccc(B(O)O)cc1 584979174 MLTYNIKBZKIQBA-HNNXBMFYSA-N 304.155 -0.503 50 20 DBGD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cccc(B(O)O)c1 584980349 XGSXKUPLLNNWDN-RTXFEEFZSA-N 302.139 -0.908 50 20 DBGD O=C(NC[C@@H](CO)CC1CCOCC1)c1cccc(B(O)O)c1 584981249 APKGYVYMDFNLFR-ZDUSSCGKSA-N 321.182 -0.479 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)c(F)c2)CN1CC1CC1 584982134 DRLBVHYZEKRFTH-UHFFFAOYSA-N 306.102 -0.843 50 20 DBGD CC(C)[C@H](CNCc1cccc(B(O)O)c1)N1CCOCC1 585014640 AGBYMCCDPXVLHP-INIZCTEOSA-N 306.215 -0.187 50 20 DBGD C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(B(O)O)o1 585022894 CFTBBPKHEIEYFZ-SNPRPXQTSA-N 322.214 -0.062 50 20 DBGD C[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)N1C(=O)NC2(CCCC2)C1=O 585067883 WKWMTWFTMGFSTI-VHSXEESVSA-N 323.158 -0.685 50 20 DBGD Cc1ccc(-c2nnn(CC(=O)N3CC[C@@H](B(O)O)C3)n2)cc1 585070434 ZYPAQJLRYKMIGI-GFCCVEGCSA-N 315.142 -0.276 50 20 DBGD COc1cccc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 727362007 LCSCKCZHUMZCFD-UHFFFAOYSA-N 315.351 -0.070 50 20 DBGD Cn1nc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1C1CC1 742060636 XYHLKOPORFUDGZ-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD CCOCCCNC(=S)NNC(=O)C(=O)N1CCCC1 748151696 KSXSESJGTZWQFM-UHFFFAOYSA-N 302.400 -0.469 50 20 DBGD CCC[C@@H](O)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 750076190 LJWQFYCXOPPPPJ-GFCCVEGCSA-N 318.337 -0.026 50 20 DBGD CCOC(=O)COc1cccc(NC(=O)NNC(=O)CO)c1 755655648 KQNLUNRZNJBZLW-UHFFFAOYSA-N 311.294 -0.227 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(Cl)nc1 758464913 FQZICOQEFBHRSL-UHFFFAOYSA-N 314.729 -0.399 50 20 DBGD CCNC(=O)NNC(=O)Cc1cccc(OCC(=O)NC)c1 772219761 BPPLYSCJJYEQCL-UHFFFAOYSA-N 308.338 -0.296 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCc1nc(N(C)C)no1 779766445 BGQJLWJHDKZIGV-UHFFFAOYSA-N 307.314 -0.439 50 20 DBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)C2CCC2)cc1C 782593550 KQAIOVSADQWSEA-UHFFFAOYSA-N 308.342 -0.110 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc2[nH]c(O)nc2c1 808633934 IQAITPKYRNHTMB-LURJTMIESA-N 321.293 -0.234 50 20 DBGD CCCN1CC[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1 823053494 AFYYWPZDVRWNFZ-AAEUAGOBSA-N 318.443 -0.148 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)c1cccc(C)n1)S(N)(=O)=O 834816105 OKLNJMZEEPEGRF-JTQLQIEISA-N 314.367 -0.392 50 20 DBGD CCN1C[C@@H](NC(=O)NNC(=O)c2ccccc2O)CC1=O 838673089 UHPQAPQOVIMTGY-VIFPVBQESA-N 306.322 -0.043 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 843970709 JXVAJPQVAHQPEQ-SCZZXKLOSA-N 318.337 -0.004 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)N1 858700392 KZFYKBABKPOUHN-KKJSVHSVSA-N 304.350 -0.240 50 20 DBGD CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461550 PVOPHXPZKHAPBV-RYUDHWBXSA-N 305.334 -0.330 50 20 DBGD Cc1cc(=NNC(=O)Cn2nc3n(c2=O)CCCC3)cc[nH]1 862515522 UZGVLVFZYJPFIS-UHFFFAOYSA-N 302.338 -0.350 50 20 DBGD C#CCn1ccc(CN(CC)C(=O)c2ccc(B(O)O)cc2)n1 863880648 BSJFOJYPJVVPRG-UHFFFAOYSA-N 311.150 -0.142 50 20 DBGD O=C(/C=C\CN1CCOCC1)NNC(=O)c1cccc(F)n1 869313956 MLCCOZJDVWHDHG-DJWKRKHSSA-N 308.313 -0.130 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)nc1O 914832399 YZRDMGJUGISDSU-VIFPVBQESA-N 308.342 -0.167 50 20 DBGD Cc1cnn(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 917622246 PGFBGVYIVSETAP-LLVKDONJSA-N 300.384 -0.316 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 1261211587 BDWHBGOQCGDSJL-UFBFGSQYSA-N 304.368 -0.616 50 20 DBGD COc1cccc(NNC(=O)C(=O)Nc2cncnc2OC)n1 1320338655 NSRQGWCXCLEJBF-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1Cl 1324362030 LODVNZFBOCGHON-UHFFFAOYSA-N 324.680 -0.529 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1cc(C2CC2)nn1 1325725171 GJNVQTJJYMKILU-MRVPVSSYSA-N 309.326 -0.355 50 20 DBGD Cc1noc(C(F)F)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329171579 DWNIQDCVMXYXGY-RXMQYKEDSA-N 302.237 -0.040 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)CO1 1329272485 JRDZRLWMTKMPFS-DTWKUNHWSA-N 307.310 -0.472 50 20 DBGD CCn1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])n1 1331827575 QQTMLCSPEZALAL-SSDOTTSWSA-N 318.120 -0.951 50 20 DBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)CN2CCCC2=O)C1 1332227792 GAAYKTVJQLHZRA-AWEZNQCLSA-N 310.354 -0.985 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@]1(CO)CCCNC1 1575523175 SQBCWMZXIMIRSE-RISCZKNCSA-N 300.403 -0.728 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1590000374 MGHLBTSVLAIYPZ-SECBINFHSA-N 305.342 -0.378 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)NCCc1cccs1 1593907959 CSJMPVCEZBTABP-MRVPVSSYSA-N 301.324 -0.279 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccccc1OCC1CC1 1601635202 CANLVKLPBGRHBB-UHFFFAOYSA-N 321.289 -0.354 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCCO1 1605452905 PHJNUGMXHCPEHV-SECBINFHSA-N 305.298 -0.557 50 20 DBGD Cc1c(C(=O)O)cc(CNC(=O)c2cccc(B(O)O)c2)n1C 1607516530 UUWRADSWKSFOQB-UHFFFAOYSA-N 316.122 -0.358 50 20 DBGD Cc1nnc(NNC(=O)CNC(=O)Cc2ccccc2)[nH]c1=O 11335861 ITKYTYZOEMZYCS-UHFFFAOYSA-N 316.321 -0.725 50 20 DBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)C2CC2)=NN1c1ccccc1 29434791 ZWRPSJVZJLYKHX-GFCCVEGCSA-N 315.333 -0.336 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ccc(Cl)nn2)O1 268485228 TTXFXUOTGKJKIG-NKWVEPMBSA-N 314.733 -0.211 50 20 DBGD C[C@]1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCCOC1 272671210 WBBSXPRKIPNNPY-AWEZNQCLSA-N 309.322 -0.027 50 20 DBGD CC(C)(C)OC(=O)CCC(=O)NNC(=O)C(=O)N1CCCC1 278007296 KBBJMHRQTWTDIH-UHFFFAOYSA-N 313.354 -0.122 50 20 DBGD CO[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)c1cnn(C)c1 287994531 OFGLYWJCXWTIKO-LLVKDONJSA-N 310.358 -0.904 50 20 DBGD CNC(=O)NCCC(=O)NNc1nc(-c2cccnc2)no1 293668481 MOYZBMBECMJBLG-UHFFFAOYSA-N 305.298 -0.106 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccc(C#N)cc1 299071665 SFTOXZRCMDMVDJ-UHFFFAOYSA-N 311.319 -0.871 50 20 DBGD O=C1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C2CC2)N1 584986792 AZATUHJRTJBZQT-TZMCWYRMSA-N 320.129 -0.708 50 20 DBGD C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(B(O)O)cc1 584988347 LOOBBPMSPPKPCT-IUODEOHRSA-N 318.182 -0.698 50 20 DBGD CC(C)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1=O 584993374 QYZADGDWMJDYRI-UHFFFAOYSA-N 308.118 -0.802 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)c2ncnn21 585006575 OFPMHPSJQJNXQF-RDDDGLTNSA-N 304.090 -0.467 50 20 DBGD COc1ccccc1C(=O)N[C@H](C(=O)NCB(O)O)C(C)C 585054360 KNDOFHCCHYMKIO-LBPRGKRZSA-N 308.143 -0.422 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1ccccc1[N+](=O)[O-] 727848485 MOTHRVRNEIYSPL-UHFFFAOYSA-N 319.277 -0.022 50 20 DBGD CC(C)C(=O)NNC(=O)CSCC(=O)NNC(=O)C(C)C 729835649 MOMQDLXRBDVZIF-UHFFFAOYSA-N 318.399 -0.674 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)C1CCCC1 730525542 SNZGKXNKBZSACT-UHFFFAOYSA-N 304.310 -0.591 50 20 DBGD CN(C)C(=O)CN1CCC(NC(=O)NNc2cccnn2)CC1 736666824 JWWNEGHPYFNFCI-UHFFFAOYSA-N 321.385 -0.345 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCNC(=O)O 736901165 YMQGQXKMNKSUKP-UHFFFAOYSA-N 302.331 -0.514 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1ccncc1 747514949 KWCMKCBVTKZPHW-UHFFFAOYSA-N 302.290 -0.206 50 20 DBGD Cn1ccnc(NC(=O)NNC(=O)Cc2cccnc2)c1=O 757906080 HYHYLZCVJLEIGW-UHFFFAOYSA-N 302.294 -0.429 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1=O 771856326 BLJZBGTVTLJBOE-VIFPVBQESA-N 305.290 -0.345 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCC[C@@H]1CCO 779713227 KQRLGYANLIPPBX-UTUOFQBUSA-N 317.386 -0.081 50 20 DBGD CSCC(C)(C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 800454558 UDHTXPZESHTFRG-MRVPVSSYSA-N 323.440 -0.107 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](C(=O)N2CCCC2)C1 805807494 IJSAACFKZUIYSB-VXGBXAGGSA-N 310.398 -0.123 50 20 DBGD O=C(O)Cn1cc(C=NNC(=O)COc2ccccc2O)nn1 814952018 HLVZJLQRRIJMBP-UHFFFAOYSA-N 319.277 -0.403 50 20 DBGD O=C(O)CCCCNC(=O)NNC(=O)C(=O)N1CCCC1 821518741 CEZAGBBACXIRGC-UHFFFAOYSA-N 300.315 -0.806 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)c2nccnc2N)c1 825810364 KYCNYBWWRRXCBC-UHFFFAOYSA-N 316.321 -0.060 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cccc(C(=O)O)c1 833502109 NSOMMIWABQWAQZ-UHFFFAOYSA-N 307.306 -0.401 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccccc1C(=O)O 833502550 RZCHDPRVNUEZFN-UHFFFAOYSA-N 307.306 -0.401 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)[C@H]1CCCCO1 836284019 PVLSQXWAFFUDOW-LLVKDONJSA-N 302.375 -0.536 50 20 DBGD CNCCN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 842473730 AASBGTCYOHQSAB-UHFFFAOYSA-N 309.326 -0.493 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNC(=O)C1CCCC1 845192340 PUVWRBMQOYPBGF-UHFFFAOYSA-N 306.388 -0.938 50 20 DBGD CCCN(CC)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858478314 YAEVTYCMDUVGOT-QWRGUYRKSA-N 313.402 -0.284 50 20 DBGD C[S@](=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 860637084 LCJDJIFHTMETFZ-MGUXCZDKSA-N 324.362 -0.145 50 20 DBGD Cc1ccn2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)nc2c1 862450536 WAJJJIMMIOGXQQ-SECBINFHSA-N 301.306 -0.318 50 20 DBGD O=C(CSCc1ccccn1)NNC(=O)[C@@H]1CCC(=O)N1 862452027 IRFLBMBHSBZZBY-JTQLQIEISA-N 308.363 -0.259 50 20 DBGD O=C(NCc1nnc(S)n1C1CC1)c1ccc(B(O)O)cc1 863873344 AXHVYBZOQBHGDZ-UHFFFAOYSA-N 318.167 -0.489 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 863903413 GHXXGEMCCQBZQA-ZETCQYMHSA-N 313.260 -0.543 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C)C[C@H]2CO)c1 879001591 BFUOKUGCMQHDQQ-AWEZNQCLSA-N 320.393 -0.636 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@@H]1COCCN1CC(F)F 887147074 WVCVMKQWNUVVII-JTQLQIEISA-N 303.309 -0.097 50 20 DBGD CN(C)[C@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)C12CCC2 912600612 CPEDEUWNDJKBBV-KBPBESRZSA-N 302.183 -0.031 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 916108086 JAGFHXQDENAPTN-UHFFFAOYSA-N 321.380 -0.734 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)N1CCCC[C@H]1C 1116187236 LJKCXKODVBAMCY-NXEZZACHSA-N 300.359 -0.247 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CC12CCSCC2 1118953519 GUUYRDCQSMBHMU-MRVPVSSYSA-N 306.409 -0.288 50 20 DBGD O=C(Cc1ccc(O)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319121628 NKGZBLHONVLGBA-JTQLQIEISA-N 312.347 -0.483 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ncccn1 1322451293 AWHWMIKZEDLTSV-JTQLQIEISA-N 306.326 -0.953 50 20 DBGD O=C1CCCN1C[C@@H](O)CNS(=O)(=O)CBr 1324403653 NIHVOVOKHLKQJY-ZETCQYMHSA-N 315.189 -0.759 50 20 DBGD Cn1cccc(NC(=O)C(=O)NNC(=O)C2CCCC2)c1=O 1325516878 WCLAAFVPCDLQPG-UHFFFAOYSA-N 306.322 -0.339 50 20 DBGD COC(=O)C(C)(C)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1325964381 LITLUDXNEZDKOA-RKDXNWHRSA-N 301.343 -0.059 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cnn(C)c1 1329232619 RUOSUZPSHTUNLO-UHFFFAOYSA-N 317.371 -0.966 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)COC[C@@H]3CCCO3)nc21 1334109374 JTVOMMODICKOGL-QMMMGPOBSA-N 322.325 -0.292 50 20 DBGD O=C(CC(=O)NNC(=O)C1CCOCC1)NCC(F)(F)F 1334277593 BEHIHIYWVRJMJJ-UHFFFAOYSA-N 311.260 -0.371 50 20 DBGD Cn1cnc2c(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccnc21 1335329059 DQNNQJOLQCKLDG-QMMMGPOBSA-N 302.294 -0.992 50 20 DBGD CCOc1ccc(NC(=S)NNC(=O)C2(O)CNC2)cc1 1578183033 FEBPMMJGIAXSHL-UHFFFAOYSA-N 310.379 -0.263 50 20 DBGD CS(=O)(=O)c1ccc(NNC(=O)[C@H]2CCO[C@@H]2CN)cc1 1579351694 QGJAHSTUPUGAOJ-NWDGAFQWSA-N 313.379 -0.103 50 20 DBGD O=C(NNC(=O)c1ccncn1)c1cccc(-c2nn[nH]n2)c1 1593158877 KIDKWHNKXPLUQF-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H](OC)C(=O)O)c(OC)c1 1594078503 DKHGISLHBQTDHR-SNVBAGLBSA-N 312.278 -0.436 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)c1cncn1-c1ccccc1 1604433684 GKPLYUYKGJLBMO-NSHDSACASA-N 318.289 -0.267 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)[nH]2)ccc1=O 1608098379 GYATWAQFNDLLGE-UHFFFAOYSA-N 304.262 -0.514 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)cn1 1608098987 WMPCQRSFIIFDMT-OYBPUVFXSA-N 321.337 -0.137 50 20 DBGD O=C(c1cccnn1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841351820 GHACNBKAZWQYNN-NSHDSACASA-N 324.768 -0.107 50 20 DBGD O=C(c1cnc[nH]1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556304 IPIDLLIJCZTPJE-DCAQKATOSA-N 312.757 -0.175 50 20 DBGD CCNC(=O)NNC(=O)CN1C(=O)c2ccc(C)cc2C1=O 65190900 YBODASRTXQHAIK-UHFFFAOYSA-N 304.306 -0.059 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CN(C)CCO2)cc1 81934288 PSZNWYCTEAKAAF-CYBMUJFWSA-N 306.366 -0.115 50 20 DBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)NC1CC1 143208355 HYSIBPGPEYAOHK-ZCFIWIBFSA-N 311.371 -0.019 50 20 DBGD C[C@@H](C(=O)NNC(=O)CN(C)C)n1nnc(-c2ccccc2)n1 175945230 KGOKFWOETCYIJA-JTQLQIEISA-N 317.353 -0.390 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 263787599 HAZOXZREEQKITO-LLVKDONJSA-N 307.306 -0.502 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCOCC2)[nH]n1 268861650 RNZXLSHNCSVLAA-UHFFFAOYSA-N 309.326 -0.882 50 20 DBGD COc1nccnc1NNC(=O)C(C)(C)NS(C)(=O)=O 274102673 PGFBIJPDYUCZHW-UHFFFAOYSA-N 303.344 -0.744 50 20 DBGD COCCCNC(=O)NNC(=O)CNC(=O)c1cccc(O)c1 275092122 CONHGBRCVBZGQP-UHFFFAOYSA-N 324.337 -0.511 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(C)(C)NC(=O)C(F)(F)F)cn1 276939954 AIEUWWAFPNJAST-UHFFFAOYSA-N 321.259 -0.362 50 20 DBGD COCCN1CN(C(=O)NNC(=O)c2ccccc2)CC1=O 282546011 WTMLFIRXVOOWEO-UHFFFAOYSA-N 306.322 -0.211 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCC[C@H]2OCC[C@H]12 363850641 DJEAYAALNOBMLN-IJLUTSLNSA-N 324.381 -0.103 50 20 DBGD O=C(CO)NNC(=O)[C@H](c1ccccc1)N1CCCCC1=O 378520677 XPTSFHDIZSSCAA-AWEZNQCLSA-N 305.334 -0.120 50 20 DBGD COCCN(CCNC(=O)c1cccc(B(O)O)c1)C1CC1 584941848 CMAJJLMAHLZZHR-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CCc1nn(C)c(OC)c1CNCc1ccccc1B(O)O 585035707 WXVZDHNMWGBZON-UHFFFAOYSA-N 303.171 -0.039 50 20 DBGD O=C1CC[C@H](NCc2ccc(B(O)O)cc2F)[C@H](C2CC2)N1 585040785 AUTPKCLBCVVXMP-ZFWWWQNUSA-N 306.146 -0.348 50 20 DBGD Cn1nccc1[C@@H]1OCCC[C@H]1CNCc1ccc(B(O)O)o1 585050269 VQSYQUYKZIRCTG-XHDPSFHLSA-N 319.170 -0.050 50 20 DBGD O=C1CC[C@@](C(=O)N2CC[C@H](B(O)O)C2)(c2ccccc2)CN1 585063796 HHFSCHQFWFJBRI-BBRMVZONSA-N 316.166 -0.090 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 729531482 QIRFXTNEYDIHPE-VIFPVBQESA-N 310.379 -0.423 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2n[nH]cc2c1 746584029 TUQWVMCNIJTEMF-SECBINFHSA-N 322.346 -0.241 50 20 DBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)C(C)C)cn1C 763817184 DXKXOUGDTIIYJV-UHFFFAOYSA-N 324.337 -0.056 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](S(C)(=O)=O)C1 763915663 CRNXEONNTYKQSL-ZJUUUORDSA-N 305.400 -0.559 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1O 768765738 GOSBILWFTDLGCH-GXFFZTMASA-N 302.334 -0.368 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)NCC1CC1 778588067 PCHLYCMQAYVCEN-UHFFFAOYSA-N 306.322 -0.138 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CN1CCC(=O)NC1=O 780738916 RWZFUENMPKFCPR-UHFFFAOYSA-N 320.305 -0.142 50 20 DBGD O=C(NCCN1CCOCC1)NNc1nc2ccccn2n1 790103047 GQEUZMIPVFUZHE-UHFFFAOYSA-N 305.342 -0.312 50 20 DBGD Cn1ncc(CNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1 807566808 AWHKBAAYPBWEEF-UHFFFAOYSA-N 319.281 -0.133 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)N[C@H]1COC[C@H]1OC 838779023 TYOVXRUABBDESD-WCQYABFASA-N 323.349 -0.018 50 20 DBGD COC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(C)C 843654133 ZJTKOQBXBQEGLC-AEJSXWLSSA-N 301.343 -0.061 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 843979630 PMXWQMDABNECDA-QXEWZRGKSA-N 321.337 -0.665 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1cc[nH]n1 855355919 CKUKPERKSNVFQW-SSDOTTSWSA-N 319.243 -0.276 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cc[nH]n2)[C@@H]2CCCC[C@H]2N1 855356782 YGJVDSOOZDYRJX-LPEHRKFASA-N 305.338 -0.134 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H](C2CC2)C(F)(F)F)N1 858462412 VCAIVJGVNDJOMN-HTRCEHHLSA-N 308.260 -0.064 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@]2(C3CCCC3)CCNC2=O)N1 862463850 NPHBCOOPBIGKCL-BMIGLBTASA-N 322.365 -0.891 50 20 DBGD CCOCCOCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 927534827 RRJNSFYSGFPCMW-GHMZBOCLSA-N 303.359 -0.205 50 20 DBGD CCOCc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1116600378 VEGVXYAYPHYOJA-UHFFFAOYSA-N 309.322 -0.309 50 20 DBGD COCC(=O)NCCC(=O)NNc1ccc(CC(=O)OC)cc1 1118269331 LJKCDXUDBZKIBP-UHFFFAOYSA-N 323.349 -0.002 50 20 DBGD CNC(=S)N(C)NC(=O)CCc1ocnc1C(=O)OC 1118712708 FKRCQTFPKPJXMV-UHFFFAOYSA-N 300.340 -0.139 50 20 DBGD C#CCCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319893085 IINMJEGTSNWLEG-JTQLQIEISA-N 301.368 -0.303 50 20 DBGD Cn1cnc2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c21 1321134097 YVCQIBWMYJGLNX-UHFFFAOYSA-N 301.306 -0.387 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ncncc1F 1327888603 UELUSMAQDMUJAV-UHFFFAOYSA-N 304.245 -0.856 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNC(=O)c3ccc[nH]3)CC2=O)cn1 1330212360 AJZKACZGSRYPSU-SECBINFHSA-N 316.321 -0.438 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)OCC(F)(F)F 1352443166 JGIDCKJEERZIBP-SFYZADRCSA-N 310.276 -0.306 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CNCC2(CCOCC2)C1 1578099443 DZNNABZBXYWDNF-NSHDSACASA-N 314.386 -0.488 50 20 DBGD O=C(Cc1ncc[nH]1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1582183863 MEZHIRBJIAQNOV-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD CCCNC(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1595926362 ZMZYLCWVGASGAB-QMMMGPOBSA-N 300.315 -0.950 50 20 DBGD COC(=O)C(=O)NN[C@@H](C(=O)OC)c1cccc(C(=O)O)c1 1598684660 MBDYPNIHOLFAQS-SECBINFHSA-N 310.262 -0.607 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1603953789 ATFAYGLXZHGWNV-POYBYMJQSA-N 306.282 -0.354 50 20 DBGD COCCCNC(=O)NNC(=O)CS(=O)(=O)CC(C)C 139554415 ZMUBKHHYDVRNQR-UHFFFAOYSA-N 309.388 -0.576 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)C[C@H](C)O)n1 156277860 KHCLYXUCWGHRCN-VIFPVBQESA-N 300.384 -0.546 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc([N+](=O)[O-])c1 269644978 YWMJNNFAKNBPCY-SSDOTTSWSA-N 302.312 -0.024 50 20 DBGD C=CCN1CCC(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584942369 UCSPUUWWCIURSN-UHFFFAOYSA-N 306.146 -0.114 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)COC 584945245 HAANAIOXWKUVCT-JTQLQIEISA-N 313.134 -0.371 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](N2CCC2)[C@H](F)C1 584982186 LXXYHTIRCBRCKL-ZIAGYGMSSA-N 324.136 -0.236 50 20 DBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)[S@]1=O 584988375 MKBUPWGPQBVJKZ-ZFXASYOHSA-N 309.196 -0.262 50 20 DBGD CC(C)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584991774 GYWZAGZZSUOZIM-UHFFFAOYSA-N 308.118 -0.802 50 20 DBGD Cc1nc(C(F)(F)CNC(=O)c2ccc(B(O)O)cc2)n[nH]1 584992671 REMPNBAUXQLOSF-UHFFFAOYSA-N 310.069 -0.685 50 20 DBGD C[C@H](CCS(C)(=O)=O)NCc1ccc(B(O)O)cc1F 585031103 QRZFVUMDYLTCQE-SECBINFHSA-N 303.164 -0.582 50 20 DBGD CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(B(O)O)o1 585042329 ANQUZHXWCQCSMR-GHMZBOCLSA-N 301.173 -0.595 50 20 DBGD CCCNC(=O)CCC(=O)NNC(=O)CNC(=O)c1ccco1 732065867 ZMGCGQJLFHVSFL-UHFFFAOYSA-N 324.337 -0.537 50 20 DBGD Cc1nc2n(n1)CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C2 750058422 SUDIDTOJDUJMSW-JTQLQIEISA-N 308.386 -0.016 50 20 DBGD CCC(=O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 756658109 GUGTXWFDOMQRQD-UHFFFAOYSA-N 324.341 -0.695 50 20 DBGD CN(CC(=O)NNc1ncc(F)cn1)c1ncnc2[nH]cnc12 760906078 GWZZWBNMVLULTC-UHFFFAOYSA-N 317.288 -0.139 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 773656100 AZOCJFWCWGISKQ-UHFFFAOYSA-N 322.325 -0.221 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)CBr)O1 782472267 NQTKHVIKJIPUPD-NTSWFWBYSA-N 301.162 -0.709 50 20 DBGD Nc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1[N+](=O)[O-] 789856272 CZFRVUOUCCQDSJ-UHFFFAOYSA-N 321.293 -0.440 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)c2ccc(C#N)cc2)c1=O 815150029 KUASYETVGUWYDP-UHFFFAOYSA-N 314.305 -0.695 50 20 DBGD CCC[C@@H](C(=O)NNc1nccnc1OC)S(N)(=O)=O 816970585 DCTZYGKLMGKADV-ZETCQYMHSA-N 303.344 -0.615 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1ccc(C)nn1 821154243 MROMLYUVLISBCI-IUCAKERBSA-N 315.355 -0.777 50 20 DBGD CCCN1C[C@@H](C(=O)NNC(=O)NCCCOC)CC1=O 840289359 YNZIACJBWMUPNE-JTQLQIEISA-N 300.359 -0.388 50 20 DBGD C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccnnc1)CS2 843908662 OEDUEDPQDDEKSP-ZANVPECISA-N 321.362 -0.308 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843980341 UARRPGUASVHHSG-NXEZZACHSA-N 321.399 -0.722 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 846275578 JDQSVCODYXOQFJ-AEJSXWLSSA-N 308.342 -0.802 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 857174318 HOFIKGZOBKJKSE-SECBINFHSA-N 319.358 -0.290 50 20 DBGD Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696935 LUDFUDKAOKIRLT-RYUDHWBXSA-N 320.349 -0.363 50 20 DBGD O=C(CCNC(=O)C1CCCCC1)NNC(=O)[C@H]1CCC(=O)N1 862454980 YEEVBRCVSSGUPU-LLVKDONJSA-N 324.381 -0.501 50 20 DBGD CC1(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)OCCO1 863877182 VEXXVAFUBUREFT-UHFFFAOYSA-N 319.166 -0.018 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@]1(C)Oc2ccccc2NC1=O 878681088 FLHYVJXOUYQXTC-AWEZNQCLSA-N 306.322 -0.515 50 20 DBGD O=C1CN(CC(=O)NNc2ccc(F)c(F)c2F)CCN1 901163681 YGTPLVHTUOLVKU-UHFFFAOYSA-N 302.256 -0.021 50 20 DBGD O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1cn[nH]c1 920404412 DAUCMMOCDSBVSF-UHFFFAOYSA-N 312.293 -0.476 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1=NN(C)C(=O)CC1 1116120067 UTGPPDJOPPMNCF-UHFFFAOYSA-N 311.342 -0.953 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1118189380 KAHRBGLKCJZQAX-UWVGGRQHSA-N 321.337 -0.210 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(C)o1 1255801355 WAJBELFGBKIIPR-UHFFFAOYSA-N 305.294 -0.061 50 20 DBGD COCCC1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCC1 1319685470 FLYQJNCYFCADNE-UHFFFAOYSA-N 312.370 -0.198 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cc(C)on1 1322311120 OVSAOORDTHQHSQ-SECBINFHSA-N 300.315 -0.135 50 20 DBGD Cn1cccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1324095034 KRRGONFFLMDUAH-QMMMGPOBSA-N 300.340 -0.844 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCc2ccccc2NC1=O 1327608369 QFQVYMUOTPFBGA-SNVBAGLBSA-N 320.305 -0.557 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1328135367 SJLOJKBFQISKLU-YTWAJWBKSA-N 312.370 -0.344 50 20 DBGD O=C(NC[C@@H]1CCCCS1(=O)=O)NNC(=O)c1cn[nH]c1 1332484678 UWXASQHLPDLKDA-VIFPVBQESA-N 315.355 -0.679 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(C2CC2)on1 1337620539 QCKCQPYUGPKTJC-MRVPVSSYSA-N 313.335 -0.252 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCNC2)CC1=O 1575596409 YKDQOTFFYFMBRI-NEPJUHHUSA-N 310.398 -0.362 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)n2C)cn1 1592565818 GSZWMFFQNFUTBY-UHFFFAOYSA-N 315.297 -0.987 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)COCC(=O)O)c1 1607628307 GATVDXRFOXHFDR-UHFFFAOYSA-N 310.306 -0.069 50 20 DBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)NC1CC1 143313450 RXLHVNGGGBIFRE-UHFFFAOYSA-N 316.383 -0.929 50 20 DBGD CN1CCN(C)[C@@H](CNS(=O)(=O)CBr)C1 220530397 IDVQZLIWRZQITJ-QMMMGPOBSA-N 300.222 -0.496 50 20 DBGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CC1 263909955 KDBMARNPAXZXQL-SNVBAGLBSA-N 310.335 -0.726 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 264146142 PHRQJKJXSHIZJY-QMMMGPOBSA-N 315.351 -0.606 50 20 DBGD CN(CCNC(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 264877314 QGEIMNCUQCPHQE-UHFFFAOYSA-N 323.353 -0.566 50 20 DBGD COCCN(CC(=O)NNC(=O)c1ccccc1)[C@@H](C)C(N)=O 272042115 DMUIYCLIQINYFY-NSHDSACASA-N 322.365 -0.730 50 20 DBGD CCN(C)C(=O)CNC(=O)NNC(=O)COc1ccccc1O 274853569 WHFSOJZOXZXYGM-UHFFFAOYSA-N 324.337 -0.420 50 20 DBGD CCO/C=C(\C#N)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 293663088 FVSOKRKKODSHJV-PBQZMEPESA-N 301.368 -0.077 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 363594689 DZOXPJUAYDAZPO-DBIOUOCHSA-N 301.343 -0.312 50 20 DBGD Cn1ccc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)n1 496529813 PZRHMKKFLSEGFA-UHFFFAOYSA-N 311.342 -0.365 50 20 DBGD CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584943737 MSZKPKSXRLDMLI-LBPRGKRZSA-N 308.118 -0.898 50 20 DBGD CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc(B(O)O)c(F)c1 584978864 FBWPWFOGRDOCIQ-OAHLLOKOSA-N 322.145 -0.364 50 20 DBGD CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584989397 NFZAQUYHHDHAAG-TZMCWYRMSA-N 318.182 -0.211 50 20 DBGD O=C(NCc1nc([C@H]2CCCO2)n[nH]1)c1cccc(B(O)O)c1 585004429 DMUXIACXGSAWIJ-LLVKDONJSA-N 316.126 -0.734 50 20 DBGD CC(C)C(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585030948 MHKRLUKKMPMYDF-CYBMUJFWSA-N 308.162 -0.148 50 20 DBGD C[C@H]1C[C@H]1C(=O)NCCc1nc(-c2cccc(B(O)O)c2)no1 585053486 LPPQPYHCXKTBBX-JOYOIKCWSA-N 315.138 -0.269 50 20 DBGD O=C(Cc1ccccc1)NCCC(=O)N1CC[C@H](B(O)O)C1 585073607 CUZXEUQMFUKCAH-ZDUSSCGKSA-N 304.155 -0.189 50 20 DBGD C[C@@H](CS(C)(=O)=O)N(CC(=O)NNC(=O)C1CC1)C1CC1 733311963 ZMHHUFPOTBNNNE-VIFPVBQESA-N 317.411 -0.559 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H](O)C[C@H]2C(=O)O)cc1 738513912 WUMKYCHCDCGQKR-NEPJUHHUSA-N 321.333 -0.724 50 20 DBGD CCCCN(C)S(=O)(=O)NNC(=O)C(=O)NC(CC)CC 740812556 OMUWOXXJQRBCJB-UHFFFAOYSA-N 322.431 -0.111 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](COCCOC)C1 744416755 FYFXFFQOHYQMJQ-NWDGAFQWSA-N 301.387 -0.083 50 20 DBGD CCOCC(=O)NN=Cc1cnc(N2CCN(C)CC2)nc1 755703059 FUNMUZOEZBYYQO-UHFFFAOYSA-N 306.370 -0.285 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 756335403 GJMXEWOCBJKCFU-UHFFFAOYSA-N 323.288 -0.091 50 20 DBGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)c1cnccn1 756891793 NWLGOWWYMMTTRQ-UHFFFAOYSA-N 302.294 -0.050 50 20 DBGD C[C@H](CO)CCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 759631255 ILQBUTHMKTWJBX-CMPLNLGQSA-N 307.416 -0.224 50 20 DBGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)CO)ccc2n1 764421619 PJVUKQPYLZPHHW-UHFFFAOYSA-N 318.289 -0.678 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCn3ncnc3C2)c1 770704070 XFWYWLBIAYTOHU-UHFFFAOYSA-N 314.349 -0.137 50 20 DBGD CN(NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(N)=O 778411366 CETSHTGMOHAAMF-UHFFFAOYSA-N 314.367 -0.566 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1CN(C(C)=O)C1 788158670 NBAZQBIUJUSERM-UHFFFAOYSA-N 301.343 -0.599 50 20 DBGD CC(C)(C(=O)NNC(=O)NCC(=O)NCC#N)c1ccccc1 805094292 LFYBCHANLQSSLQ-UHFFFAOYSA-N 317.349 -0.066 50 20 DBGD Cn1ncc(NC(=O)C(=O)NNC(=O)CO)c1-c1ccccc1 806980802 VJUUOLVOYGLNQO-UHFFFAOYSA-N 317.305 -0.835 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)CC(C)C 821160353 MGBLYCGEWSVELV-RKDXNWHRSA-N 307.372 -0.825 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(=O)NCCF 827275487 VEEQUVPMJWKFBC-CIUDSAMLSA-N 304.322 -0.784 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 827831808 JWMGGMBSYWXKRQ-GFCCVEGCSA-N 321.308 -0.101 50 20 DBGD COC(=O)[C@H](COC(C)C)N(C)CC(=O)NNC(=O)C(C)C 828073693 SBDBKHVCBPJHQB-NSHDSACASA-N 317.386 -0.312 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)[C@@H]1CCO[C@@H]1C 843276360 BJUKXRYBZODCCD-RKDXNWHRSA-N 303.384 -0.140 50 20 DBGD CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CCS(=O)(=O)N2)o1 845334730 YNXODYAMHKRLRB-SSDOTTSWSA-N 313.339 -0.196 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNc2cccnn2)C1 845420778 VEOFPXMRIRLDRZ-QMMMGPOBSA-N 300.344 -0.863 50 20 DBGD CC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)C(=O)NC(C)C 858167595 FLEUGECQXXRMDJ-SNVBAGLBSA-N 300.359 -0.791 50 20 DBGD CCCN1CC[C@@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858282482 ZFYQXZWLYAUVNZ-QWRGUYRKSA-N 311.386 -0.673 50 20 DBGD CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1=O 858568589 UMXRFHJBZITRSU-VIFPVBQESA-N 308.342 -0.247 50 20 DBGD O=C(Cn1ncc2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 862456170 VQZYGZKIRPFRCG-SNVBAGLBSA-N 301.306 -0.538 50 20 DBGD Cn1ncc2cc(S(=O)(=O)NNC(=O)c3ccc[nH]3)cnc21 1255224331 MZYWUTSTSJMJJG-UHFFFAOYSA-N 320.334 -0.080 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)CC2 1261499309 HJYXEPMRKPSCJJ-GDPRMGEGSA-N 307.354 -0.279 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)c1ccccc1F 1317702992 RVEDTAZHTANJEZ-VIFPVBQESA-N 308.269 -0.425 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCn1cnc2ccccc21 1319003339 LBDZCHYQWBSOIB-UHFFFAOYSA-N 319.321 -0.070 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1nc(C)no1 1323526767 PTEZNQBLUBAWGO-JGVFFNPUSA-N 315.330 -0.179 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](n2cc(CO)nn2)C1 1326260439 XBWFKWNSBSCYBG-CMPLNLGQSA-N 324.385 -0.647 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 1329277332 TUJYYPVKFLQTHJ-VIFPVBQESA-N 316.358 -0.534 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1330168647 NMSZFRYVNWSLLH-ZETCQYMHSA-N 314.348 -0.792 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)OCC(F)(F)F)n1 1331284794 YXJTZJOOKPZDNF-UHFFFAOYSA-N 323.235 -0.547 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CC1)C[C@H](O)CCO2 1333526255 BVGSWZKGCHFKEV-CQSZACIVSA-N 319.166 -0.488 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cnn(CC(F)F)c1 1338003599 DMFQTRFUMDJMID-UHFFFAOYSA-N 305.241 -0.136 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1ncn(C)n1 1338530365 AYKCBLPGLXTRJY-BDAKNGLRSA-N 314.346 -0.742 50 20 DBGD CO[C@H]1CN[C@@](C)(C(=O)NNc2nncc(N)c2Cl)C1 1573960282 IENDZLUNUYAVEB-KSBSHMNSSA-N 300.750 -0.078 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](F)[C@@H]1CCNC1 1579016129 AKBZOCOYQJRSDG-NXEZZACHSA-N 306.407 -0.192 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CCO[C@@]3(CCNC3)C2)cn1 1579959672 UUXDDUHIXUIQJJ-IIEJUSTOSA-N 301.350 -0.082 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NC[C@@H]1CCC2(CNC2)O1 1580495639 OKQIMVLXRCLMNU-ZETCQYMHSA-N 310.276 -0.210 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(C(=O)O)CC1 1588710263 YGHIMRSCLOCHRO-UHFFFAOYSA-N 301.299 -0.477 50 20 DBGD O=C(NNS(=O)(=O)c1n[nH]cc1C(=O)O)c1ccccc1 1601557774 SNRGYTUJBNSLHX-UHFFFAOYSA-N 310.291 -0.269 50 20 DBGD NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1845992601 IQQPMRZVDLLJFV-VIFPVBQESA-N 317.773 -0.945 50 20 DBGD C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)Cc1cc[nH]n1 106416993 WQHPRWWABVTXMN-QMMMGPOBSA-N 321.362 -0.020 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2cccnc2)CC1=O 298361503 NRMQSGULEYCDOA-LLVKDONJSA-N 306.322 -0.663 50 20 DBGD COc1ccc(C(=O)NCC(=O)NNC(=O)N(C)C)cc1OC 299362033 DUGVWDCFBCHZRI-UHFFFAOYSA-N 324.337 -0.264 50 20 DBGD CC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 367348830 KYCCMRZVJWJMPZ-UHFFFAOYSA-N 306.253 -0.345 50 20 DBGD CCN(CC)CCN(CCOC)C(=O)c1cccc(B(O)O)c1 584943321 QJGLDHUOFORJDW-UHFFFAOYSA-N 322.214 -0.203 50 20 DBGD Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 584976608 RUZPKCSVSDXIPN-HNNXBMFYSA-N 314.150 -0.081 50 20 DBGD CCOC[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCO1 585010678 WOHPAVUASZWAJQ-LLVKDONJSA-N 311.118 -0.617 50 20 DBGD CCc1nc2n(n1)C[C@@H](NCc1ccc(B(O)O)cc1F)CC2 585022211 UZGFYKDDTXJBAB-LBPRGKRZSA-N 318.161 -0.236 50 20 DBGD Cn1nccc1N1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1 585038410 CXYWKBJMKBLUOY-OAHLLOKOSA-N 314.198 -0.142 50 20 DBGD C[C@@H]1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CC(=O)N1 585054569 XWUIMOHETUKJOS-SCZZXKLOSA-N 301.111 -0.202 50 20 DBGD N#Cc1ccc(Br)cc1S(=O)(=O)NCB(O)O 585059225 FGWIRHBINKKCKE-UHFFFAOYSA-N 318.945 -0.389 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CSCCS1 728383871 FPAXADWDLYZSJP-JGVFFNPUSA-N 324.449 -0.583 50 20 DBGD O=C(CC[C@H]1CCCCO1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 731965442 YGMNILNEFUWIBA-GHMZBOCLSA-N 318.395 -0.082 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)NC 734122869 CKOURHOJVSGDRS-VIFPVBQESA-N 306.388 -0.459 50 20 DBGD CN(c1ccccc1NC(=O)NNC(=O)CO)S(C)(=O)=O 757660708 IBBYWFDWPXERCT-UHFFFAOYSA-N 316.339 -0.773 50 20 DBGD Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NNC(=O)CO 764422035 UWXDGNWIIKUGEG-UHFFFAOYSA-N 311.342 -0.913 50 20 DBGD COc1ccnc(NNC(=O)c2ccc(S(N)(=O)=O)cn2)n1 770472625 DVJQGZVWTVERQL-UHFFFAOYSA-N 324.322 -0.716 50 20 DBGD CC(=O)NCCNC(=O)NNc1cccc(S(C)(=O)=O)c1 776609043 YDEPJRZWKRJTNX-UHFFFAOYSA-N 314.367 -0.148 50 20 DBGD N#CCCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 784173189 VITMOQXJWUWHGT-UHFFFAOYSA-N 314.309 -0.090 50 20 DBGD NC(=O)C(=O)NNC(=O)c1ccc(F)cc1Br 792523935 XYQROXSPBFVYRL-UHFFFAOYSA-N 304.075 -0.166 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 796252456 BGNNXIIBEZZMGW-UHFFFAOYSA-N 321.249 -0.137 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)n1 804771006 CLYCFOUAEFJAJI-JTQLQIEISA-N 323.328 -0.209 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3nc(O)[nH]c3n2)CC1 819721299 QBLSTLGPUXENHG-UHFFFAOYSA-N 319.325 -0.735 50 20 DBGD CCS(=O)(=O)CCN(C)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827284399 WESJCTNAIITREH-NXEZZACHSA-N 321.399 -0.481 50 20 DBGD CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)COCC 838606057 VSDMIISIHFIYGD-SNVBAGLBSA-N 302.375 -0.094 50 20 DBGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NNC(=O)CO)C2=O 839719819 AIHLAHBQFDQIFT-QMMMGPOBSA-N 305.290 -0.881 50 20 DBGD CCCN1C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)CC1=O 839733002 GHPIDPLALVVWTF-NSHDSACASA-N 311.386 -0.767 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cncc(F)c1 842591182 AXRZMSVOMNVMQC-GMSGAONNSA-N 303.315 -0.045 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCc2cnc(N)nc2C1 857926666 VNTOSCXRNSXIBY-SNVBAGLBSA-N 320.397 -0.001 50 20 DBGD COCCOc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862451618 FLFWCUJWEMDGTC-GFCCVEGCSA-N 321.333 -0.249 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)N1 862459418 TUSQOAIBSGQXIG-YUMQZZPRSA-N 322.287 -0.703 50 20 DBGD O=C(/C=C/CN1CCOCC1)NNC(=O)Cc1ccncc1 866320619 JURDTQFPXOWVTC-OWOJBTEDSA-N 304.350 -0.340 50 20 DBGD COC(=O)C[C@@H](NS(=O)(=O)CCCCl)C(=O)OC 881774255 XXGCHUSRRJVZGB-SSDOTTSWSA-N 301.748 -0.361 50 20 DBGD O=C(NCCC(=O)N1CCOCC1)NNC(=O)C1CCCC1 916251499 WOOLTLYKYKKSKY-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1116713424 ZXKSUHJPJDGDTM-UHFFFAOYSA-N 309.326 -0.675 50 20 DBGD CCC[C@H](O)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319399762 LMFZHBLPZSEVTP-BDAKNGLRSA-N 307.372 -0.945 50 20 DBGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(C)=O 1320223956 GEJPOMULKGJDAA-UHFFFAOYSA-N 308.338 -0.137 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1320379589 WYUBGWVUWQYJQH-UHFFFAOYSA-N 320.261 -0.762 50 20 DBGD CCc1nn(C)cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1320536357 RLYQMCQSNBTUCI-MRVPVSSYSA-N 314.367 -0.822 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 1322325334 MEHUAIKOCXTGAY-ZETCQYMHSA-N 313.360 -0.185 50 20 DBGD COC(=O)CCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1323802423 SBRITQGWOZVPGI-UHFFFAOYSA-N 323.309 -0.696 50 20 DBGD Cc1nc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1C 1326485144 AEBUOQQKTRITOG-APPZFPTMSA-N 302.356 -0.537 50 20 DBGD O=C(NCc1noc2ccccc12)NNC(=O)C(=O)NC1CC1 1331277741 ZHFQKCVIGGHRAS-UHFFFAOYSA-N 317.305 -0.063 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 1337961712 VUCRHQXFYLVFIG-UHFFFAOYSA-N 306.257 -0.488 50 20 DBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)C(=O)N2CCCC2)C1 1343794238 AMYLEMNAYWEYIR-JTQLQIEISA-N 310.354 -0.985 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CCc3ncncc3C2)c1=O 1349469222 IBYWZSWKLQFHAJ-SECBINFHSA-N 300.322 -0.182 50 20 DBGD C[C@@H](C(=O)NNC(=S)NC(C)(C)C)N1CCNCC1=O 1575071076 HCJYYQSOKTVYFX-QMMMGPOBSA-N 301.416 -0.900 50 20 DBGD O=C(NCCC[C@@H]1CCCN1)NNC(=O)[C@H]1COCCO1 1580680221 JXXVHRDNGLERIQ-WDEREUQCSA-N 300.359 -0.736 50 20 DBGD C#CCCCC(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1588391473 HSVIDBNARMUIFL-UHFFFAOYSA-N 305.290 -0.503 50 20 DBGD CO[C@@H](C)CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591466209 AUEVGALZTQTVPK-QMMMGPOBSA-N 319.325 -0.154 50 20 DBGD Cn1c(O)ncc(C(=O)NNc2cccc(C(=O)O)c2)c1=O 1600896216 SJVQJILAZOYNCQ-UHFFFAOYSA-N 304.262 -0.059 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@]2(O)CCOC2)o1 1603406821 CNAKSKCFDPQNFW-GFCCVEGCSA-N 323.313 -0.427 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)c1ccc(-c2nn[nH]n2)nc1 1609558201 UXYRAGLKIINOCD-SECBINFHSA-N 319.350 -0.082 50 20 DBGD NCC(=O)N1CCCC12CN(C(=O)CCBr)C2 1842876458 TVRAKNYRROJLMZ-UHFFFAOYSA-N 304.188 -0.067 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1CCCCO1 263746313 WNRPJALHAOJUTM-SNVBAGLBSA-N 324.337 -0.091 50 20 DBGD CCNc1ncc(C(=O)NNC(=O)C(=O)N2CCCC2)s1 269537853 PBYMCQIULYRVQM-UHFFFAOYSA-N 311.367 -0.042 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 273532481 VJCOTYLOKIVALH-LLVKDONJSA-N 308.338 -0.428 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1nnc(C2CC2)s1 291655941 KFJFIWXFCNPEQD-QMMMGPOBSA-N 313.383 -0.008 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(N(C)C)c1 292524477 VFIXGBIHXXYJIL-UHFFFAOYSA-N 307.354 -0.167 50 20 DBGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1nnc[nH]1)C2=O 294083521 ZDQSKWBYZAADPT-ISVAXAHUSA-N 321.341 -0.252 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCNC(=O)[C@H]1C 298091120 KRPIPDKNZMGWIF-GFCCVEGCSA-N 318.377 -0.495 50 20 DBGD CCOC(=O)NCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 495957610 PYLWGDYOQWIQIH-JTQLQIEISA-N 321.399 -0.385 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1NC(=O)O[C@H]1C 496473631 PSCJGESIPSOBJN-UFBFGSQYSA-N 307.306 -0.118 50 20 DBGD O=C(NCCCOC1CCOCC1)c1cccc(B(O)O)c1 584952017 QXHPRWZSCHFSES-UHFFFAOYSA-N 307.155 -0.318 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 584957098 CGKDEUIBIUYPLE-ZIAGYGMSSA-N 305.139 -0.614 50 20 DBGD CCC(=O)N1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584959003 ASNGPQQPQHEPIK-SNVBAGLBSA-N 308.118 -0.754 50 20 DBGD O=C(CCCNC(=O)c1ccc(B(O)O)c(F)c1)NC1CC1 584970057 LGVQYKRKXZAHHJ-UHFFFAOYSA-N 308.118 -0.706 50 20 DBGD CN1CCC(C)(CNC(=O)c2cc(B(O)O)ccc2F)CC1 584972283 SDNGQIWNYXPEJW-UHFFFAOYSA-N 308.162 -0.033 50 20 DBGD CCc1nc(C(C)(C)NC(=O)c2ccc(B(O)O)cc2)no1 584987572 URRPMFLXINSJBO-UHFFFAOYSA-N 303.127 -0.023 50 20 DBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ccccc2F)c1 749267951 WXSJXSHBQJEUJF-UHFFFAOYSA-N 313.314 -0.187 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 764420211 AWCSLTVMQCCNJT-UHFFFAOYSA-N 317.204 -0.914 50 20 DBGD CCc1nn(C)c(Cl)c1C(=O)NNC(=O)C(=O)NC(C)C 767205147 OJISMFBZDWOCOQ-UHFFFAOYSA-N 315.761 -0.079 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCNC(=O)OC 772133024 IVCXNBNKKJPTAW-QMMMGPOBSA-N 303.315 -0.388 50 20 DBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNc1ncccn1 777274306 JGHBDJVRQWPDFO-WDEREUQCSA-N 311.342 -0.077 50 20 DBGD COCCN1CCN(S(=O)(=O)CBr)CC1 779205663 ROFQWMSCMPILAD-UHFFFAOYSA-N 301.206 -0.067 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 780848406 MVGLSGQUTVCAKP-LLVKDONJSA-N 307.306 -0.500 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 788165628 DTEJQXFUBBOMTK-UHFFFAOYSA-N 322.325 -0.221 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2nc(O)nc(O)c2N)n1 794080373 PXAIZFLUBCQFGA-UHFFFAOYSA-N 304.266 -0.752 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCOC(C)(C)C 806787085 AOPBNUJWEBVUGC-SECBINFHSA-N 323.415 -0.333 50 20 DBGD COCCN(C)NC(=O)c1cccc(CS(N)(=O)=O)c1 808075019 OTXHYYCWNLBOQT-UHFFFAOYSA-N 301.368 -0.302 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnn(CC(F)F)c1 814220678 FDHDUAHRDFVHFU-ZETCQYMHSA-N 323.325 -0.464 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 826359101 VUNCTZOTLGRCMD-UHFFFAOYSA-N 301.270 -0.997 50 20 DBGD COc1cc(C)nc(NNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 827289435 SWBOGMQBEGEEPN-BDAKNGLRSA-N 324.341 -0.124 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCSc1nnnn1C 843648346 XGBPJJULJVDWLC-JGVFFNPUSA-N 314.371 -0.735 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 843655041 HNVWIEHKQMKWCW-GUBZILKMSA-N 304.368 -0.474 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1 847293626 IWKYUJLFLGNTQI-GHMZBOCLSA-N 318.333 -0.408 50 20 DBGD Cc1ccc(OCCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858087287 DZCIRHWLKLIUQE-LBPRGKRZSA-N 320.349 -0.017 50 20 DBGD COc1cccc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858142911 QTWYAVNTVAOYAX-LBPRGKRZSA-N 320.349 -0.153 50 20 DBGD C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449327 NIXHPSVDVPLAKZ-KOLCDFICSA-N 318.333 -0.769 50 20 DBGD COC(=O)C1(C#N)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863885536 JUEBJBDRYNCIGP-UHFFFAOYSA-N 316.122 -0.715 50 20 DBGD COCCOCC(=O)NNC(=O)Cn1ncc2ccccc21 869908893 AUHFHUPMUQNZAV-UHFFFAOYSA-N 306.322 -0.153 50 20 DBGD OCCn1ncc2c1CCC[C@H]2NCc1cccc(B(O)O)c1 876965083 AIKBJUVDHGQENV-OAHLLOKOSA-N 315.182 -0.278 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)NCC(F)(F)F 907967153 KYUZDAMTDNWWJP-UHFFFAOYSA-N 322.291 -0.049 50 20 DBGD CCn1nc(C)c(CC(=O)NNC(=O)CN2CCCC2=O)c1C 913732868 LSUIOXWXOYEMCN-UHFFFAOYSA-N 321.381 -0.168 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn(-c2cccnc2)c1 1252915004 BKBZVQIUGMQTNZ-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD CC(C)c1noc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1261931075 YDAIULWMJDGKRP-QMMMGPOBSA-N 324.341 -0.656 50 20 DBGD O=C1Nc2cc(O)ccc2C1=NNC(=O)[C@H]1CCS(=O)(=O)C1 1318981322 IVLMQRFSOXKQLP-ZETCQYMHSA-N 323.330 -0.401 50 20 DBGD CCn1nccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1320412782 KNYSBXHYDHSZNQ-QMMMGPOBSA-N 300.340 -0.901 50 20 DBGD CS(=O)(=O)CC1CCC(=NNC(=O)C(=O)NC2CC2)CC1 1324473891 OXPRHYWAAFDAOB-UHFFFAOYSA-N 315.395 -0.028 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1 1335591302 SVWJEGQDVUVAOT-VIFPVBQESA-N 307.310 -0.836 50 20 DBGD Cc1ccc(S(C)(=O)=O)cc1NC(=O)NNC(=O)CCO 1338053261 VEIDXTAVPZFMQI-UHFFFAOYSA-N 315.351 -0.066 50 20 DBGD O=C1C[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCN1 1344050474 WRDKRLFRJHGYNU-VIFPVBQESA-N 301.310 -0.368 50 20 DBGD O=C(/C=C\c1nccs1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1348602931 CHWOQJHRVSEQTP-JQSQLHRZSA-N 315.376 -0.262 50 20 DBGD C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)NNC(=O)C(=O)O)O2)[C@@H]1C 1594641353 XACWSZCNDLMBNO-MRCNFZFLSA-N 315.326 -0.626 50 20 DBGD O=C(NNS(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C1CCC1 1606854516 VJPIXVKGNAXCLI-UHFFFAOYSA-N 323.338 -0.629 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 18994626 LVWAIPDJTKVYMI-UHFFFAOYSA-N 323.352 -0.727 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)c1ccc2c(c1)OCO2 61185231 GCCOJBLPJKOOGB-UHFFFAOYSA-N 309.278 -0.126 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)c1cc(-c2cccs2)n[nH]1 152281880 XDEGFWUSPYGIQQ-UHFFFAOYSA-N 318.322 -0.414 50 20 DBGD COC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 276923951 SLZJHDMJDHJPGM-UHFFFAOYSA-N 321.087 -0.901 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cn1 295209555 OUWMHDYSAMSAAA-WPRPVWTQSA-N 315.351 -0.033 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CS(C)(=O)=O)cc1 299074631 TWLYEQZQXHLUMI-UHFFFAOYSA-N 300.336 -0.434 50 20 DBGD CN1CCC[C@@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1=O 584976471 KRPZJGGJNUBPHM-INIZCTEOSA-N 316.166 -0.549 50 20 DBGD CN(C)C(=O)Cn1cc(NCc2ccc(B(O)O)cc2)cn1 585035230 ZWZRXFJLTWZWOO-UHFFFAOYSA-N 302.143 -0.737 50 20 DBGD C[C@@H](C(=O)NCB(O)O)N1CCN(c2ccc(F)cc2)CC1 585061135 LTIRIHFWLWZRQM-NSHDSACASA-N 309.150 -0.536 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1 732258759 SGKXNRIBPFNNJU-UHFFFAOYSA-N 320.349 -0.576 50 20 DBGD CC(C)NC(=O)C(=O)NN=C1CCN(CCCC(=O)O)CC1 736477106 FFSAXAWVGPRNEJ-UHFFFAOYSA-N 312.370 -0.056 50 20 DBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)N1CCOCC1 745995802 BYCCHUIJVRHTKB-NSHDSACASA-N 312.370 -0.150 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1ccnc1S(C)(=O)=O 747810178 KQKCQDUKABETMK-UHFFFAOYSA-N 302.356 -0.520 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN(CCS(C)(=O)=O)C1CC1 753245383 JCMFYPUQUFJTJS-UHFFFAOYSA-N 319.427 -0.311 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 753265243 XEKLWPZCBINVLC-SECBINFHSA-N 319.358 -0.290 50 20 DBGD O=C1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CCN1 761216201 ULBASYFDHIHJEA-LLVKDONJSA-N 319.317 -0.483 50 20 DBGD CC(C)C(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 761452909 WCGNJORSTZHLKP-UHFFFAOYSA-N 312.351 -0.713 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)c(OC)cc1F 764299747 IAHCHZIYIACQJD-UHFFFAOYSA-N 317.248 -0.294 50 20 DBGD COc1c(F)cc(NC(=O)C(=O)NNC(=O)CO)cc1F 764420800 GHZRMMWUHVICRQ-UHFFFAOYSA-N 303.221 -0.948 50 20 DBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNC(=O)c1ccc[nH]1 765361977 HTGKASOXZUYVQU-UHFFFAOYSA-N 316.317 -0.160 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC(=O)N1C 772295377 LBCRCEZNFJDILM-UWVGGRQHSA-N 313.354 -0.268 50 20 DBGD C[C@H](c1ccccc1)[C@@H](NCC(=O)NNC(=O)C1CC1)C(N)=O 794722638 YVJYXNGZHZREES-QMTHXVAHSA-N 318.377 -0.209 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)CC(C)(C)C 810343529 JFBQDVBDIJHMFQ-UHFFFAOYSA-N 323.415 -0.474 50 20 DBGD O=C(NNc1ncncc1F)[C@H]1CC(=O)N(c2cn[nH]c2)C1 817078425 DNBRSBMXTDJGML-ZETCQYMHSA-N 305.273 -0.165 50 20 DBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2cc[nH]n2)cc1C 822280781 CRPGJTBWJAEANA-UHFFFAOYSA-N 320.313 -0.873 50 20 DBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCNC1=O 824310291 CSLXTEGIJJGIEL-VIFPVBQESA-N 307.266 -0.573 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](CO)[C@H]1CCCOC1 827258900 GAQLWSKGEMSIEG-FIQHERPVSA-N 315.370 -0.471 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCCCO1)C(C)C 833246518 LTZVYNZJTVWGJZ-JQWIXIFHSA-N 315.370 -0.510 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2ncncc2C1 843775531 ZKACPCPFNGQGEK-SNVBAGLBSA-N 307.354 -0.052 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F 847117757 XUXFQXOPLYMJKX-YFKPBYRVSA-N 320.293 -0.793 50 20 DBGD CC(C)(C)C(=O)Cn1cc(C(=O)NNC(=O)c2cc[nH]n2)nn1 855358839 XSRUWBBQNHEIFC-UHFFFAOYSA-N 319.325 -0.309 50 20 DBGD CCNC(=O)NC1(C(=O)NNC(=O)c2cc[nH]n2)CCCC1 855359309 MWVABIXLBXZACN-UHFFFAOYSA-N 308.342 -0.197 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2cc(C#N)cc(Cl)n2)C1=O 860526655 MINFSJZVHWIYSN-UHFFFAOYSA-N 322.712 -0.056 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)NC[C@@H]1COCCN1 861680207 GJWGHFVFCAZTGS-GFCCVEGCSA-N 310.329 -0.313 50 20 DBGD C=CCC[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OCC 863885750 NTLVPNGYAWKPSL-ZDUSSCGKSA-N 305.139 -0.006 50 20 DBGD COC(=O)c1ccccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 864232054 VVEAVVSREWLROJ-VIFPVBQESA-N 313.140 -0.289 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CCN1CCCS1(=O)=O 899991863 CHQBKZWZQBIJIK-UHFFFAOYSA-N 322.456 -0.294 50 20 DBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)Cc2cccnc2)S1 1116143519 WIMSZUGGMBARMH-MRVPVSSYSA-N 307.335 -0.672 50 20 DBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)CC(F)(F)F)CC1 1116879573 GOKKMYZTLUERIZ-UHFFFAOYSA-N 317.289 -0.154 50 20 DBGD C[C@@H](C(=O)NNC(=O)CC1CC1)S(=O)(=O)C1CCOCC1 1117806143 WLCSCPLHOMDGBE-VIFPVBQESA-N 318.395 -0.084 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1n[nH]c2ccccc12 1261835059 HIMQQAYPTHQKMZ-UHFFFAOYSA-N 310.335 -0.703 50 20 DBGD O=C(Cn1ncn2nccc2c1=O)NNc1nc2ccccc2[nH]1 1261879536 WRLGETYSQYNZLZ-UHFFFAOYSA-N 324.304 -0.089 50 20 DBGD CNC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 1318034377 KKEMGQOYFYFFHS-UHFFFAOYSA-N 301.306 -0.084 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 1319751276 AEJLAQYGXDRLFC-MFKMUULPSA-N 301.343 -0.309 50 20 DBGD Cc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccn1 1322298901 QVRRASJYZZIHKL-SNVBAGLBSA-N 312.351 -0.479 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccccc1Cl 1326030226 APJXNUOTOHNJON-UHFFFAOYSA-N 324.724 -0.296 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1326832129 FMRDOABTHPZBBR-APPZFPTMSA-N 310.285 -0.268 50 20 DBGD C[C@@H](C(=O)NN(C)C[C@@H](C)O)S(=O)(=O)C1CCOCC1 1333347529 MZWWZSDTRKGEEP-ZJUUUORDSA-N 308.400 -0.688 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 1337652610 WYSPJEXDWGSZJZ-STQMWFEESA-N 308.382 -0.017 50 20 DBGD CN(NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)C(N)=O 1341910482 SSSCNLIRJLCXGT-UHFFFAOYSA-N 315.351 -0.963 50 20 DBGD Cc1cccc2c1C[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N2 1579776682 PHSYMWNQCBAEFI-RYUDHWBXSA-N 302.334 -0.242 50 20 DBGD C/C=C\[C@@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590353094 NXENWEMXYIEUDP-MXQLGCADSA-N 302.294 -0.435 50 20 DBGD O=S(=O)(c1cccc(-c2nn[nH]n2)c1)N1CC[C@H](B(O)O)C1 1593455448 CIYWLVJXJFTQBY-VIFPVBQESA-N 323.143 -0.896 50 20 DBGD CN(C)N(C(=O)c1c[nH]c(C(=O)O)c1)[C@@H]1CCS(=O)(=O)C1 1598257367 JUFFAPNGFWZEEC-SECBINFHSA-N 315.351 -0.181 50 20 DBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C1CC1)C2 1846386080 ALCYWPGAWPERHN-UHFFFAOYSA-N 322.409 -0.027 50 20 DBGD CC(=O)NCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 112824902 FYTHJHIAMNYECN-UHFFFAOYSA-N 301.306 -0.231 50 20 DBGD CNC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 139310316 XYACSAAQFLBMCM-UHFFFAOYSA-N 318.330 -0.546 50 20 DBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NN(C)C(N)=O)C2=O 272223760 ULHFJUXTCUSNQC-AMIZOPFISA-N 311.342 -0.471 50 20 DBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)N1CCN(C)CC1 278613874 LXXJYMSOBMLQHF-SNVBAGLBSA-N 323.353 -0.614 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)C2CCC2)c(=O)c1 279094943 GRFJKGXHVJXESJ-OAHLLOKOSA-N 307.350 -0.145 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)[C@@H]1CCCO1 294772214 YGDXLUBDPUPQLL-NHYWBVRUSA-N 323.349 -0.766 50 20 DBGD Cc1cc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)ccc1F 368271539 JCMZXAUQYQMICT-VIFPVBQESA-N 309.297 -0.373 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CN2CCCN1CC2 371221333 WGPPXKYWRWRDHX-ZDUSSCGKSA-N 303.366 -0.839 50 20 DBGD CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584937175 MAIMJBKZLZSAQM-LLVKDONJSA-N 322.145 -0.364 50 20 DBGD CCN(CC)CCOCCNC(=O)c1cccc(B(O)O)c1 584973871 DLNPZWAUCDPWLL-UHFFFAOYSA-N 308.187 -0.545 50 20 DBGD OB(O)c1ccc(-c2noc(Cn3cc(C4CC4)nn3)n2)cc1 585050521 BPBQGAASXSXQPU-UHFFFAOYSA-N 311.110 -0.066 50 20 DBGD O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[C@@H](B(O)O)C1 585073281 BMGGURGJHIYILN-IJLUTSLNSA-N 322.170 -0.373 50 20 DBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)Cc1cccnc1 728957509 WTSGYOWSDJIJJL-LLVKDONJSA-N 319.365 -0.035 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CNC2(CO)CCOCC2)cc1 733794929 IHKQRUJJSAAEFD-UHFFFAOYSA-N 321.377 -0.113 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c(O)nc1=O 747171948 ZBTRMLXLNMDNOX-UHFFFAOYSA-N 313.273 -0.568 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1=O 747938760 YYOIDQBRMZFQTR-SECBINFHSA-N 307.354 -0.130 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1cccn1C)CC2 750724419 JIYCEGRKLCDADS-SNVBAGLBSA-N 302.338 -0.051 50 20 DBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ncc(F)cn1 760905959 IBFOTKOUWFLZQY-VIFPVBQESA-N 317.346 -0.127 50 20 DBGD CCOc1cccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 763172394 LJQUVJWPIGVHHC-SECBINFHSA-N 314.367 -0.132 50 20 DBGD CCCCNC(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 765252512 QFPPEFMZVAWYKE-JTQLQIEISA-N 320.415 -0.764 50 20 DBGD CCNC(=O)N(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1 780711929 RCLBLQATCFWXPE-UHFFFAOYSA-N 320.415 -0.259 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc2c[nH]nc2c1 792854041 PCKVBFDMHYENGA-UHFFFAOYSA-N 303.322 -0.223 50 20 DBGD CN(CCC(=O)O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 818463045 MCRZABYTWGHMOK-UHFFFAOYSA-N 324.293 -0.238 50 20 DBGD CCN(CCO)NC(=O)CCCS(=O)(=O)N1CCCC1 823852788 PHXKMHIVEIYFNS-UHFFFAOYSA-N 307.416 -0.462 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOCCN(C)C 826979470 OANVKAFWTWLOTF-QWRGUYRKSA-N 302.375 -0.680 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)CC(F)(F)F)n1 846632989 UPTMXUNDDQUIRD-UHFFFAOYSA-N 307.236 -0.767 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H](C(=O)O)C(C)C 848591230 QTGUFGBUOPWZRR-UWVGGRQHSA-N 319.358 -0.275 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855829455 MRUJCAGDQTZZEO-UHFFFAOYSA-N 314.386 -0.445 50 20 DBGD O=C1CC[C@@H](C(=O)NN=C2CCS(=O)(=O)c3ccccc32)N1 863147101 YLZOBFVSOPWKIH-NSHDSACASA-N 321.358 -0.037 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1[N+](=O)[O-] 863458049 UIRQYWMCDPSYIB-UHFFFAOYSA-N 315.307 -0.291 50 20 DBGD C[C@H]1CN(S(=O)(=O)CCCCl)CCN1S(C)(=O)=O 882045750 KFWRENUTOQYEDQ-VIFPVBQESA-N 318.848 -0.089 50 20 DBGD CC(C)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 915777501 SLFWWKRWRAMURP-GAIPPQHRSA-N 305.334 -0.403 50 20 DBGD CC(C)NC(=S)NNC(=O)CCCN1C(=O)CNC1=O 1317724668 OQGLPHIPFCIPFL-UHFFFAOYSA-N 301.372 -0.778 50 20 DBGD CC(C)NC(=S)NNC(=O)CN(C)c1ncnc2[nH]cnc12 1317902147 DJNLDNDOXRZANS-UHFFFAOYSA-N 322.398 -0.307 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(NC(C)=O)ccc1C 1323943554 JTCFMOISVFOBFO-UHFFFAOYSA-N 322.321 -0.314 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1 1324240334 VGHDYMBXQQATJV-NSHDSACASA-N 321.333 -0.341 50 20 DBGD CNC(=O)COc1ccc(C(=O)NNC(=O)N(C)C)cc1OC 1324684608 SYYRZHHLWBPYMR-UHFFFAOYSA-N 324.337 -0.264 50 20 DBGD CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 1329172984 QWEMMONAISATKI-NSHDSACASA-N 322.296 -0.176 50 20 DBGD Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329735713 OMKQULBFXWLFKK-RDDDGLTNSA-N 323.353 -0.169 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1 1342638051 SRKUYAHBUJIEMX-UHFFFAOYSA-N 312.282 -0.473 50 20 DBGD O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 1351755932 GGPOUYJKFDSJBA-GFCCVEGCSA-N 316.166 -0.503 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CO[C@@H](CCC(=O)O)C2)n[nH]1 1574326007 FULFXYBHPDCMIN-KOLCDFICSA-N 324.337 -0.322 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(CCN)cc2)CC1 1578533352 XDIGQHRQWVTCOK-UHFFFAOYSA-N 305.382 -0.210 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1589415301 GLHWCYKRPNQFAL-IUCAKERBSA-N 323.305 -0.881 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@H](C[C@@H]1CCCO1)C(=O)O 1590939551 ZKTWNDYQMDZNBK-VHSXEESVSA-N 301.343 -0.598 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)nn1 1592566034 WVGLWOZNBIFXCQ-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=S)NCC1CCC1 1601381740 FFLDXYLGSXBARG-UHFFFAOYSA-N 312.355 -0.728 50 20 DBGD O=C(N[C@@H](C[C@@H]1CCCOC1)C(=O)O)c1cccc(B(O)O)c1 1601409492 COFAORWIJYESFE-GWCFXTLKSA-N 321.138 -0.634 50 20 DBGD CCc1nc2cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc2o1 1610072329 CKMIXEYJLPBBIL-UHFFFAOYSA-N 320.261 -0.439 50 20 DBGD CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792976045 KPXPOTMYZLVNTG-NOHGZBONSA-N 318.801 -0.024 50 20 DBGD O=C(CCCCC(=O)NNC(=O)C1CC1)NNC(=O)C1CC1 100057214 YKNRXTBXTUBGMC-UHFFFAOYSA-N 310.354 -0.338 50 20 DBGD O=C(NC[C@@H]1Cc2ccccc21)NNC(=O)C(=O)NC1CC1 131879176 PGWGUAFPRWOOSK-JTQLQIEISA-N 302.334 -0.065 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 137966647 RJIUJGRJAYWPSI-UHFFFAOYSA-N 322.346 -0.253 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)NCc2ccco2)CC1=O 138916969 XAHODOBQTWYNGD-JTQLQIEISA-N 324.337 -0.395 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)CN(C)C)cc([N+](=O)[O-])c1 263916725 PHHUNUOLBSOMJY-UHFFFAOYSA-N 324.293 -0.296 50 20 DBGD Cc1n[nH]c(SCC(=O)NNC(=O)Cc2ccncc2)n1 267029930 YGOIQCRQCJUMMW-UHFFFAOYSA-N 306.351 -0.010 50 20 DBGD CCC[C@](C)(O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 269324287 UTIWCMZPJIVBGP-AWEZNQCLSA-N 318.337 -0.026 50 20 DBGD COC(=O)NCC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 273324983 XNFOOJJLXSHCTF-ZETCQYMHSA-N 318.330 -0.597 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)[C@@H]1CCCO1 292108574 IUBDIEGCSHMMQS-DCAQKATOSA-N 323.349 -0.512 50 20 DBGD COC(=O)NNC(=O)CCNS(=O)(=O)c1cccs1 298308772 POZKRIPQXNWCBC-UHFFFAOYSA-N 307.353 -0.196 50 20 DBGD CCOC(=O)NNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 494366475 WCTTYBHMJFQNAM-VIFPVBQESA-N 307.372 -0.176 50 20 DBGD CCN1CCN(C(=O)c2cccc(B(O)O)c2)C(C)(C)C1=O 584975841 ZWERWWQVVYGLKI-UHFFFAOYSA-N 304.155 -0.551 50 20 DBGD COCCn1ncc2c1[C@@H](NCc1ccc(B(O)O)o1)CCC2 585034069 FWLQCKFBWQTSRC-ZDUSSCGKSA-N 319.170 -0.031 50 20 DBGD CN(C)C(=O)COc1ccccc1C(=O)N1CC[C@H](B(O)O)C1 585071795 ATXAHRCXAJEHMH-NSHDSACASA-N 320.154 -0.158 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1ccc2c(c1)OCCO2 727073272 KMDVKBHMICXIPG-UHFFFAOYSA-N 310.335 -0.948 50 20 DBGD O=C(Cc1ccccn1)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 729664215 DKRGFCCRESZMOE-UHFFFAOYSA-N 324.318 -0.340 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)[C@@H]1COc2ccccc2O1 739453319 FOYDBTRFGGKXPE-FYBVGQRMSA-N 306.274 -0.306 50 20 DBGD COCCOCCC(=O)NNC(=O)CNC(=O)c1ccco1 751203860 STNOTPXPOFAVKN-UHFFFAOYSA-N 313.310 -0.790 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1oc(C(C)C)nc1C#N 751571752 BWNZIPWROQHDQZ-UHFFFAOYSA-N 301.328 -0.338 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](Cn2ccnn2)C1 752060378 OVMURPWRDGMGBY-NWDGAFQWSA-N 308.386 -0.064 50 20 DBGD O=C(CN1CCN2C(=O)CC[C@@H]2C1)NNC(=O)c1cccs1 766273192 WHQMEDFTRWOJKD-SNVBAGLBSA-N 322.390 -0.184 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCCOCC1 776632948 JHCRREQDXZUFLU-MNOVXSKESA-N 303.359 -0.063 50 20 DBGD COC(=O)CNC(=O)NNC(=S)NC[C@H]1CCCCO1 779721305 NWCNYPYTKLFJRZ-MRVPVSSYSA-N 304.372 -0.593 50 20 DBGD C[C@H](O)C(=O)N1CCN(S(=O)(=O)CBr)CC1 782471309 DASMZXBTNYMZRH-ZETCQYMHSA-N 315.189 -0.806 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnn(CCF)c1 806736687 NKWUXFMGDNTOIE-UHFFFAOYSA-N 323.284 -0.363 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCCn1cncn1 807371080 CRYQQJNXKAAHOI-UHFFFAOYSA-N 313.358 -0.005 50 20 DBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)C(C)(C)C 822243699 FBGQMTYNHKXLOF-UHFFFAOYSA-N 314.367 -0.004 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NN(C)[C@@H](C)CO)cc1 823994115 YVVVJPSLSZVYJD-NSHDSACASA-N 315.395 -0.383 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CNC1(CC(=O)O)CCOCC1 826135064 UTXSYQWMRBELSE-UHFFFAOYSA-N 315.370 -0.207 50 20 DBGD COc1cc(C)nc(NNC(=O)CNC(=O)[C@H]2CCCN2)n1 830980991 MWKFCVUIOOQZLB-SECBINFHSA-N 308.342 -0.895 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCCc3cccnc32)N1 862459382 SEMLEFPWWWEAPS-WDEREUQCSA-N 302.334 -0.073 50 20 DBGD C[C@@H]1CCCc2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)n21 862463968 POTZVMCUHLSUMS-RKDXNWHRSA-N 305.338 -0.180 50 20 DBGD O=C(O)COc1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1 863148956 NSYDKTYUESLWIC-NSHDSACASA-N 305.290 -0.121 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCN(Cc2ccccc2)C1=O 863189836 UXNZEUIOOOWCDL-UHFFFAOYSA-N 323.374 -0.064 50 20 DBGD Cc1cccc(F)c1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863411992 DWVGGTPOXMIQGB-SECBINFHSA-N 315.326 -0.278 50 20 DBGD COc1cc(C)cc(C(=O)NNC(=O)CS(C)(=O)=O)c1O 863464151 IMYLDOMQGJGPNY-UHFFFAOYSA-N 316.335 -0.485 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 863866386 TZISNMAMHUPOSR-KGDYZURWSA-N 321.399 -0.869 50 20 DBGD CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)CCCCl 881977297 MMXADQGMKLMEMD-NSHDSACASA-N 314.835 -0.430 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)C[C@@H](C)O1 891768554 YHDQTHHORPETHE-KAEXTRBYSA-N 323.393 -0.142 50 20 DBGD CN(C)CC(C)(C)CNC(=S)NNC(=O)c1ncon1 899575323 IZMAAEUYZDQLDJ-UHFFFAOYSA-N 300.388 -0.234 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CCNC(=O)C2)c(F)c1 909545893 PTNGATKHJQSJHX-UHFFFAOYSA-N 324.312 -0.513 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1F 919960745 GAINOLCRFGSODG-UHFFFAOYSA-N 304.303 -0.094 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CCn3cccn3)nc21 1116320294 HYHNVXFHEPPOHD-UHFFFAOYSA-N 302.298 -0.201 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCC(=O)c2ccccc21 1261835329 RHDRUMUWHXNVAG-LLVKDONJSA-N 324.358 -0.061 50 20 DBGD CS(=O)(=O)CC(=O)NNc1ccccc1S(C)(=O)=O 1323978542 WYGXYYDZANTQSK-UHFFFAOYSA-N 306.365 -0.422 50 20 DBGD COCCOc1ccc(C#N)cc1NC(=O)C(=O)NNC(C)=O 1325506945 VXEBQPCKDLFFTG-UHFFFAOYSA-N 320.305 -0.311 50 20 DBGD CN(Cc1cn(C)nn1)C(=O)NNC(=O)Cc1cccnc1 1328409847 INRBXAKGVSODPE-UHFFFAOYSA-N 303.326 -0.375 50 20 DBGD Cn1cc2c(n1)CCC[C@@H]2C(=O)NNC(=O)CS(C)(=O)=O 1331834672 RYWNRXZCWZQYSD-QMMMGPOBSA-N 314.367 -0.968 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cn1 1341586078 GNFQJPHCUGUFGO-UHFFFAOYSA-N 324.318 -0.180 50 20 DBGD CN(NC(=O)c1cc(Cl)n(C)n1)C(=O)N1CCNCC1 1578506281 KBAJFMFVWWSADU-UHFFFAOYSA-N 300.750 -0.325 50 20 DBGD CC1=NO[C@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 1590163666 VXLAVCWCIDBZPG-JTQLQIEISA-N 315.293 -0.208 50 20 DBGD COC(OC)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1591333084 CUOKGAXXANDVCN-UHFFFAOYSA-N 306.282 -0.753 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cccnc1C(=O)O 1596463314 VRZJNWKUGRGSHV-UHFFFAOYSA-N 302.312 -0.366 50 20 DBGD COCc1ccccc1S(=O)(=O)NNC(=O)NCC(=O)O 1599296607 NSHISJPWNBRPNL-UHFFFAOYSA-N 317.323 -0.590 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cn1 1600944485 AKUZZOKHROALLU-PJZZRNBJSA-N 304.306 -0.379 50 20 DBGD O=C(O)c1c[nH]nc1S(=O)(=O)NNC(=O)C1CCCC1 1602506877 DPQPQTAJXZRFAG-UHFFFAOYSA-N 302.312 -0.392 50 20 DBGD O=C(CCc1nn[nH]n1)NNc1ccc(-c2nn[nH]n2)cc1 1606535364 HSZXRVONDZJYRT-UHFFFAOYSA-N 300.286 -0.544 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NCCSS(C)(=O)=O 1608142702 PPYVKEZELXXKQC-UHFFFAOYSA-N 307.353 -0.459 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 47909130 QOZPSSMMBXQGOJ-NSHDSACASA-N 323.305 -0.328 50 20 DBGD CCNC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)s1 49164957 ISKPDSZDHKKTAA-UHFFFAOYSA-N 306.369 -0.712 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)CC(=O)NC2CC2)c1 152867588 SOFOGMBRDMFJBJ-UHFFFAOYSA-N 318.377 -0.034 50 20 DBGD Cn1c(NNC(=O)[C@@H]2COCCO2)nc2ccccc2c1=O 264878577 CDLTWPWVDNHJDC-NSHDSACASA-N 304.306 -0.208 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 267126225 FEEPRHFIUMTGKE-RXMQYKEDSA-N 307.763 -0.181 50 20 DBGD CO[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C1CC1 279996497 PDSCGXYXKNQVQJ-LBPRGKRZSA-N 316.321 -0.152 50 20 DBGD CC#CC(=O)N1CCN(S(=O)(=O)CBr)CC1 283754016 JEPFXQQNQCQXQK-UHFFFAOYSA-N 309.185 -0.164 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C[C@H]1CCCC(=O)N1 289943360 OMRFPLVTBSYNOM-SNVBAGLBSA-N 321.333 -0.023 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)COc1ccc(F)cc1 299032331 BLJHVPUOVRLVIC-UHFFFAOYSA-N 318.326 -0.213 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@H](CO)O1 299971059 UZZYRNNCTASJSC-NXEZZACHSA-N 313.379 -0.409 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCNC(=O)C1 494641588 REFREPAYJYWCLP-MRVPVSSYSA-N 314.342 -0.815 50 20 DBGD Cc1nc(C(C)(C)NC(=O)c2cc(B(O)O)ccc2F)no1 584937860 HZZHBNTVVVPWSI-UHFFFAOYSA-N 307.090 -0.138 50 20 DBGD C=CCN1CC[C@H](N(C)C(=O)c2cccc(B(O)O)c2)C1=O 584985725 QFDGOGQEAGKODR-ZDUSSCGKSA-N 302.139 -0.775 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(F)(F)[C@H](CO)C1 584990886 NLARCOAOUCPMKC-VIFPVBQESA-N 317.072 -0.405 50 20 DBGD C[C@H]1CCN(C(=O)c2nc(-c3ccc(B(O)O)cc3)no2)C1 585053380 FRHASUMUCXGXER-VIFPVBQESA-N 301.111 -0.102 50 20 DBGD O=C1CCC[C@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)N1 585055081 QQFUNPISVACRLR-LLVKDONJSA-N 301.111 -0.372 50 20 DBGD CC(C)(CNC(=O)NNC(=O)C1CCCC1)NS(C)(=O)=O 731761711 ZSVMWYVWPMXROB-UHFFFAOYSA-N 320.415 -0.165 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CSc1nnnn1C1CC1 731879062 DKWUTWKTDLYKPW-UHFFFAOYSA-N 322.354 -0.407 50 20 DBGD COCCN([C@@H](C)C(N)=O)[C@H](C)C(=O)NNC(=O)CC(C)C 732201809 OHJKHMINVRRUNR-WDEREUQCSA-N 316.402 -0.609 50 20 DBGD Cn1nnnc1SCCC(=O)NNc1ncnc2[nH]cnc12 743468377 DRMFJUZWEJMOMJ-UHFFFAOYSA-N 320.342 -0.498 50 20 DBGD O=C(NNC(=O)c1csc2cncn12)C(=O)N1CCCC1 746186251 REPFDCPTETVBIB-UHFFFAOYSA-N 307.335 -0.221 50 20 DBGD COC[C@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(N)=O 760078902 SQOKVIZSLCIGNG-KPVYPLCOSA-N 315.333 -0.271 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2cnccc12 764295083 HKKZLSMTIGRNTQ-UHFFFAOYSA-N 302.290 -0.033 50 20 DBGD CCOCC(=O)NNC(=O)NCCCN1CCCO[C@@H](C)C1 764571162 JTWUDCCHRYJNEO-LBPRGKRZSA-N 316.402 -0.146 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1cc(C#N)cc(Cl)n1 768708282 OOKKKCGHQHYMGU-LURJTMIESA-N 317.758 -0.013 50 20 DBGD C[C@H](CBr)COC(=O)CN1C(=O)C(=O)N(C)C1=O 770371588 ARKDWFUSRSHLJT-ZCFIWIBFSA-N 321.127 -0.019 50 20 DBGD CCNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1 770772135 VQYBSRIFWDUEDC-VIFPVBQESA-N 320.415 -0.213 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc2c(c1)nnn2C 772303456 JOGBXJVLTBGINR-SSDOTTSWSA-N 320.309 -0.534 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC[C@@H]1C(N)=O 773566043 CBQIHKZOVYVDHA-NXEZZACHSA-N 316.427 -0.529 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCNC(=O)C(C)(C)C)CC1 773672118 FBIIQFDIERACOJ-UHFFFAOYSA-N 313.402 -0.473 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCNC(=O)C[C@@H]2C)c1 777714208 QLFVOMWZXDHDQP-LBPRGKRZSA-N 318.377 -0.034 50 20 DBGD CN(CC(=O)NNC(=O)C(C)(C)C)CC1(O)CCOCC1 781969644 RCIPOVACLCIGFB-UHFFFAOYSA-N 301.387 -0.347 50 20 DBGD CN(CCN1CCOCC1)S(=O)(=O)CBr 782434644 LPPOCDMDZCITRW-UHFFFAOYSA-N 301.206 -0.067 50 20 DBGD COc1c(O)nc(O)nc1C(=O)NNC(=O)c1ccccc1 788626812 TVAOKTNTGWVGIM-UHFFFAOYSA-N 304.262 -0.029 50 20 DBGD CC(=O)NCCCNC(=O)NNc1ccc(-n2ccnc2)nn1 804894382 CLWYYTNGOLLDNT-UHFFFAOYSA-N 318.341 -0.185 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccc(F)n1 818414791 CRRYYVIBRHBHJB-QMMMGPOBSA-N 306.297 -0.007 50 20 DBGD C[C@@](C#N)(CC(=O)O)C(=O)NNC(=O)COc1ccccc1O 819848870 VDTAMXUMTLHUCM-AWEZNQCLSA-N 321.289 -0.077 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)NC1CCC(C(=O)O)CC1 821452016 XXIGVEJMYSVIMT-UDNWOFFPSA-N 315.326 -0.624 50 20 DBGD CN(CC#N)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 821592727 RSQOAWVUDZVJGR-UHFFFAOYSA-N 314.309 -0.917 50 20 DBGD CCN(CCS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827283360 PYULEJWHYBREPG-VHSXEESVSA-N 321.399 -0.481 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)[C@@H](C)CS(C)(=O)=O 827301490 YLGZBFVEWGOHLZ-LPEHRKFASA-N 321.399 -0.483 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1ccc(CC(=O)OC)cc1 846378180 UKJBIHYBBOLQBB-UHFFFAOYSA-N 323.349 -0.050 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)cnc1C 847686216 CLLWZQQAYIMYRN-UHFFFAOYSA-N 315.355 -0.656 50 20 DBGD COCC1(C)CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858695988 JIOXNDFHGUYBDI-JTQLQIEISA-N 312.370 -0.246 50 20 DBGD COC(=O)[C@@H](CC(F)F)NC(=O)c1cccc(B(O)O)c1 863877287 CUDSIXWVISQULV-SECBINFHSA-N 301.054 -0.707 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1ccc(F)cc1 872382070 HZTTVPYKWRXGGK-UHFFFAOYSA-N 306.315 -0.202 50 20 DBGD COC(=O)[C@H]1CSCCN1CC(=O)NNC(=O)C1CC1 887076058 WAZKPCFSDQBHJA-SECBINFHSA-N 301.368 -0.866 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC#CCO 923789073 OUTIIIWPTOYHRS-SNVBAGLBSA-N 309.297 -0.081 50 20 DBGD C[C@@H](CCN(C)C)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1319092138 OHNLDWUVMBTLRT-JTQLQIEISA-N 322.369 -0.309 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)C1CCC1 1321719180 XXMMTBDHJHLBLZ-SECBINFHSA-N 306.409 -0.146 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](n2cc(CO)nn2)C1 1326260446 XBWFKWNSBSCYBG-ZYHUDNBSSA-N 324.385 -0.647 50 20 DBGD CCn1ccc(CC(=O)NNc2nc(O)c3cnn(C)c3n2)n1 1326762381 OZZNTQOHBLISFG-UHFFFAOYSA-N 316.325 -0.029 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(O)nc(C3CC3)c2)N1 1329530662 OQLOCBJJZAPJHM-VIFPVBQESA-N 304.306 -0.296 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cn2ccccc2n1 1335355589 ZNJTXMUKQYWHRV-UHFFFAOYSA-N 310.335 -0.931 50 20 DBGD COc1ncnc(N)c1C=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1 1549318741 QXNNLRFAAXFBSI-MWLCHTKSSA-N 320.353 -0.619 50 20 DBGD CN(NS(=O)(=O)CC1(C)CCC1)C(=O)N1CCNCC1 1578506358 LMPPCXBFBIBBMM-UHFFFAOYSA-N 304.416 -0.032 50 20 DBGD COC(=O)NCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1 1591275263 VHLOROJJHBZSLA-UHFFFAOYSA-N 320.313 -0.151 50 20 DBGD Cn1cc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1C(=O)O 1600966141 VNUGEURADABVEB-SECBINFHSA-N 312.282 -0.709 50 20 DBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)N1CCN(C)CC1 278684543 QSCBVERYGJYPAN-UHFFFAOYSA-N 308.386 -0.432 50 20 DBGD COc1cc(C)nc(NNC(=O)NCCn2cnc(C#N)n2)n1 286723473 GNWBXBICCGPZST-UHFFFAOYSA-N 317.313 -0.417 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CSCC#N 494454589 PTZGMYNWBLAAGO-UHFFFAOYSA-N 302.356 -0.085 50 20 DBGD CCOC(=O)NCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 497070706 HQOBETWDVUXZNO-SECBINFHSA-N 307.372 -0.775 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 584996770 PIGHLGWBASKGTJ-IPYPFGDCSA-N 303.167 -0.011 50 20 DBGD CN(C)N(C(=O)CCCNC(=O)O)[C@@H]1CCS(=O)(=O)C1 737371164 ZGTFBPXSRFTEBI-SECBINFHSA-N 307.372 -0.474 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C[C@@H]2CCCO2)CC1 738299220 MRGUFMUTNLRHAO-STQMWFEESA-N 312.414 -0.271 50 20 DBGD C[C@H]1[C@@H](C)N(CC(=O)NNC(=O)C(C)(C)C)CCS1(=O)=O 744407767 RDLHCFZAKVERIW-ZJUUUORDSA-N 319.427 -0.313 50 20 DBGD COCCN(CC(=O)NNC(=O)C(C)(C)C)CC(=O)N(C)C 745985032 YQQYDGDHYIIPAG-UHFFFAOYSA-N 316.402 -0.784 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)co1 753962160 AHPATIYJOPAAOB-UHFFFAOYSA-N 305.312 -0.031 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2nc(O)[nH]c2c1 755282947 TUOCLPJITPROSL-UHFFFAOYSA-N 300.278 -0.005 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@H]2C#N)c1 756601630 QQFZVBRCRDJTRE-CYBMUJFWSA-N 313.317 -0.456 50 20 DBGD Cn1cc(C(=O)NN=c2cc[nH]cc2Cl)c(=O)n(C)c1=O 757419625 YYWZCUYCVZQWOO-UHFFFAOYSA-N 309.713 -0.689 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1Cc2ccccc21 758040465 QNWDKNNDZQQEHR-KWQFWETISA-N 311.363 -0.589 50 20 DBGD C=C(C)COCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 762368054 HQCHUUUOKMLPPQ-LBPRGKRZSA-N 305.400 -0.040 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)c2cc(C)[nH]n2)c(O)n1 768273605 HNUUOQKOKJGVGX-UHFFFAOYSA-N 304.310 -0.166 50 20 DBGD Cc1cc(=O)c(C(=O)NNC(=O)CO)nn1-c1ccccc1F 777782171 VGTQDTDTUZDBMV-UHFFFAOYSA-N 320.280 -0.567 50 20 DBGD CCOC(C)(C)CNC(=O)NNC(=O)C(=O)N1CCCC1 780825956 ZFYYNLKKSLMUQP-UHFFFAOYSA-N 300.359 -0.246 50 20 DBGD CC(=NNC(=O)C(N)=O)c1cc(S(N)(=O)=O)c(C)cc1C 794460822 WGZQIWLYSBCHNB-UHFFFAOYSA-N 312.351 -0.724 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccc[nH]1 814796775 PEMKLUWRAZZUCC-AOOOYVTPSA-N 316.317 -0.273 50 20 DBGD C=CCCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)nn1 819933780 DQZSTCLIAUIVGW-UHFFFAOYSA-N 307.358 -0.544 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@](C)(O)Cn1ccccc1=O 843970416 FRUPRYXRPSZSEK-RWSFTLGLSA-N 323.349 -0.828 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843975225 QPYKOFIZELDJBX-NGZCFLSTSA-N 309.322 -0.030 50 20 DBGD NC(=O)[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 845445370 OAARRGWJFKOCGJ-DTORHVGOSA-N 321.293 -0.197 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccn(CCN(C)C)n1 848233788 BJIKHORFOAVFAH-QWRGUYRKSA-N 309.370 -0.369 50 20 DBGD COCCN(C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C 848377875 VPQKVZFHRJVGGD-UHFFFAOYSA-N 307.358 -0.525 50 20 DBGD CNC[C@@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1 851679757 FAAGZGMVMLTPCN-SNVBAGLBSA-N 304.354 -0.185 50 20 DBGD COC(=O)[C@](C)(CO)NCC(=O)NNC(=O)c1cccs1 852157465 JKJZZIBOHLQYCX-LBPRGKRZSA-N 315.351 -0.977 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 855095996 ROYNZKKXVWTGDG-WCBMZHEXSA-N 323.426 -0.081 50 20 DBGD CCC(C)(C)OCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858530540 HWAJSAWSIIBLJK-VIFPVBQESA-N 300.359 -0.199 50 20 DBGD COc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 862450436 SVELVGCVPXEIAS-JTQLQIEISA-N 309.297 -0.197 50 20 DBGD Cc1csc(C(=O)NNC(=O)c2cnn(C[C@@H](O)CO)c2)c1 862480461 WCGAIWBDKVWETM-SNVBAGLBSA-N 324.362 -0.319 50 20 DBGD NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)[C@H]1CCC(=O)N1 863379329 VFIKABFEEIVAQJ-MNOVXSKESA-N 308.313 -0.879 50 20 DBGD CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 863883759 LVIPRFWTZUZWLN-CYBMUJFWSA-N 320.154 -0.331 50 20 DBGD C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(B(O)O)cc1 912004948 XBYUEAFZXITPHE-VWYCJHECSA-N 304.155 -0.554 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1 1116618331 RSBRCJRFLAWMGM-UHFFFAOYSA-N 306.322 -0.400 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 1254882363 LWBUZSPLOOBEKE-UHFFFAOYSA-N 320.284 -0.098 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CS(C)(=O)=O)CC1 1261224766 ZWXRMUPPPMYTFX-SNVBAGLBSA-N 319.427 -0.311 50 20 DBGD CCn1ccc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)n1 1261503483 BJESVGICRUMDTH-LBPRGKRZSA-N 314.411 -0.062 50 20 DBGD CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)C(=O)NC1CC1 1318800611 TZGAKORLCSKNHK-OAQYLSRUSA-N 318.399 -0.857 50 20 DBGD COC(=O)CC1(NCC(=O)NNC(=O)C2CC2)CCOCC1 1319604488 SSIZAAKCYRISGZ-UHFFFAOYSA-N 313.354 -0.754 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 1320233554 UDVNRWYJDFPLTJ-UHFFFAOYSA-N 320.305 -0.462 50 20 DBGD O=C(NN=Cc1ccc(CO)o1)N[C@H]1CCS(=O)(=O)C1 1323084975 GMLLDTMSUXYUOY-QMMMGPOBSA-N 301.324 -0.408 50 20 DBGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)CC2 1327009828 PNIPAIDFRHFCIV-JTQLQIEISA-N 319.365 -0.705 50 20 DBGD COCCCNC(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1346080539 JMISAAUCAAJXOU-UHFFFAOYSA-N 310.358 -0.398 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)CN1CCC(CO)CC1 1358010532 FJDDAINJEQFPOX-UHFFFAOYSA-N 306.366 -0.524 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CNCCN2C)c1 1579169042 JNKWVZRNPIGNEB-CYBMUJFWSA-N 322.365 -0.632 50 20 DBGD COC(=O)N(C)NC(=O)NCc1ccc(-c2nn[nH]n2)cn1 1579453592 WFQQYCCJMHHSEU-UHFFFAOYSA-N 306.286 -0.326 50 20 DBGD COCCN(C)NC(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1 1591420505 JLMRKUNSOGJWOQ-UHFFFAOYSA-N 322.329 -0.115 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)Nc1cccc(-c2nn[nH]n2)n1 1593156308 RDWVVKFAWWKVTB-MRVPVSSYSA-N 318.297 -0.407 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)c1cc(-c2nn[nH]n2)ccn1 1593166334 HXEORWNMGQXWEO-UHFFFAOYSA-N 323.280 -0.315 50 20 DBGD CCOC(=O)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1596721118 SLJIYJOEYCXGFY-UHFFFAOYSA-N 309.278 -0.222 50 20 DBGD COC(=O)CCCN1CCC(=NNC(=O)NCC(=O)O)CC1 1598852183 MHYGOJKULOJMHL-UHFFFAOYSA-N 314.342 -0.225 50 20 DBGD O=C(NCCn1cnc(-c2nn[nH]n2)n1)NNc1ccccc1 1609552076 WVLAOWPPYDPIPW-UHFFFAOYSA-N 314.313 -0.216 50 20 DBGD CN1CCN(C(=O)NNC(=O)CC(C)(C)CC(=O)O)CC1 1610135796 VPKRYZHEBIMKCC-UHFFFAOYSA-N 300.359 -0.134 50 20 DBGD CNC(=S)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 7623294 GMXCLPXWJUIKMF-UHFFFAOYSA-N 316.408 -0.324 50 20 DBGD O=C(NNC(=S)NCCCN1CCOCC1)c1ccccn1 38252407 BTSUHUVGTVODMZ-UHFFFAOYSA-N 323.422 -0.087 50 20 DBGD CNC(=O)NNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 48949976 OWKCFKOKYWLBDG-UHFFFAOYSA-N 300.340 -0.060 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)S(C)(=O)=O 61463919 KGQVLZQMJNVEHB-UHFFFAOYSA-N 310.335 -0.789 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 178085669 ZVQWYCIBSQSWMC-SECBINFHSA-N 316.321 -0.438 50 20 DBGD COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)CN(C)C)CO2 265099625 WPCNHHUYXZMNQP-NSHDSACASA-N 307.350 -0.045 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)[C@H]2COCCO2)c2ccccc2N1 266706152 QOGRDFICTBKYAG-CMPLNLGQSA-N 319.317 -0.325 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)N1CCSCC1 269702010 RFVCVEUCEQLBDO-VIFPVBQESA-N 302.400 -0.904 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 270937909 MFNQUEVPYSTWDG-SNVBAGLBSA-N 320.305 -0.825 50 20 DBGD Cc1oc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@H]1CCCO1 292359731 QXJIYWQAEGNNEU-SSDOTTSWSA-N 318.307 -0.225 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCn2cccn2)C[C@H](C)O1 295212380 QFOICXLLNLNQDF-STQMWFEESA-N 323.397 -0.080 50 20 DBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)C(C)C)CC1 493605409 LRUASHLTFKPKRU-UHFFFAOYSA-N 322.387 -0.718 50 20 DBGD C[C@H](C(=O)NNC(=O)CO)N(C(=O)OC(C)(C)C)C1CC1 497034495 JZYCHZDZLXCQCN-MRVPVSSYSA-N 301.343 -0.086 50 20 DBGD CC(C)N1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584937849 DBYJRDLWOCUIOS-LLVKDONJSA-N 308.162 -0.034 50 20 DBGD O=C(N[C@H](CO)CC(F)(F)F)c1ccc(B(O)O)c(F)c1 584969476 MLFZDSFJOPUMAG-ZETCQYMHSA-N 309.024 -0.451 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@]2(CCOC2)O1 584983779 OUVJHSWWGHNCIO-NHYWBVRUSA-N 305.139 -0.614 50 20 DBGD CCCN1C[C@H](CNC(=O)c2ccc(B(O)O)cc2)CC1=O 585001549 YRLFXZXDJRYTOW-NSHDSACASA-N 304.155 -0.645 50 20 DBGD Cc1nc2n(n1)C[C@H](NCc1ccc(B(O)O)cc1F)CC2 585019924 JVFJDQCPDCWRFE-GFCCVEGCSA-N 304.134 -0.490 50 20 DBGD CS(=O)(=O)CC1CCC(NCc2ccc(B(O)O)o2)CC1 585043831 STXQYAXGPQPTGC-UHFFFAOYSA-N 315.200 -0.348 50 20 DBGD COc1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cnc1Cl 585058110 AILMNVKTIBTHGM-SSDOTTSWSA-N 320.563 -0.019 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCSc1nnnn1C 732084184 PWTIMEZBWVUNGM-UHFFFAOYSA-N 310.343 -0.815 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1 737601806 FGVPQZAJKVFROP-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD CC[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCCO1 756739644 KPIYOVNEGUSQAC-MNOVXSKESA-N 312.370 -0.103 50 20 DBGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)NNC(=O)CO 760014992 SFSKOJSYBGYVGW-UHFFFAOYSA-N 319.314 -0.236 50 20 DBGD O=C(CCc1cccc2c1OCO2)NNC(=O)C(=O)NC1CC1 770220333 FNPXQYUMOVEEFB-UHFFFAOYSA-N 319.317 -0.226 50 20 DBGD COC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCCCC1 776139311 QBZRDPGTSAWLES-SECBINFHSA-N 321.399 -0.579 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@@H]1COC2(CCOCC2)O1 776938181 GBAJZYHFKUECGP-SNVBAGLBSA-N 301.343 -0.105 50 20 DBGD CC(C)N1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1=O 827269167 VQGFGCURNPVVOH-GHMZBOCLSA-N 312.370 -0.295 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(=O)N(CC2CC2)C1 827273844 JFTDLWFRNPYXQY-KOLCDFICSA-N 310.354 -0.336 50 20 DBGD COc1cccc2c1NC(=O)C2=NNC(=O)C(=O)NC1CC1 842521202 FVLJZRNBGWJYDU-UHFFFAOYSA-N 302.290 -0.254 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843650923 IROSQSUINMYOTM-RKDXNWHRSA-N 304.368 -0.145 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNc1ncc(Cl)cn1 856834320 BESGJSQUKAIQSC-UHFFFAOYSA-N 308.751 -0.695 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H](C2CC2)C(F)(F)F)N1 858462416 VCAIVJGVNDJOMN-SVRRBLITSA-N 308.260 -0.064 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2Cc3ccccc32)N1 858694223 JDYMYIVMWITIBH-CMPLNLGQSA-N 302.334 -0.065 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H](CO)C2CCCCC2)N1 858697019 PLBMHWLLECFGAE-MNOVXSKESA-N 312.370 -0.463 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCO[C@H](c3ccco3)C2)N1 858697029 ONMRASZKLMZBDG-KOLCDFICSA-N 322.321 -0.328 50 20 DBGD O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1CCC(=O)N1 862449451 PLCPFRMITWXETC-SNVBAGLBSA-N 306.278 -0.437 50 20 DBGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452343 DRHNYMXXAFPTTH-AXFHLTTASA-N 313.354 -0.613 50 20 DBGD CCOc1nccc(C)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458300 CAPOWKHFBUGEAY-SECBINFHSA-N 306.322 -0.172 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(C)C[C@H]1CO 879002046 QADPOKUWDDQMKH-NEPJUHHUSA-N 300.403 -0.823 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 910170350 KJIQRYGQZPBNMD-DTWKUNHWSA-N 321.424 -0.241 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)CN1CCCNC1=O 915619418 DGEGSYFCEYYQPO-UHFFFAOYSA-N 324.312 -0.233 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)c2n[nH]c(O)n2)cc1OC 918282344 WJEBWUXORNBRTD-UHFFFAOYSA-N 321.293 -0.008 50 20 DBGD O=C(NN=Cc1cccc(O)c1O)N[C@@H]1CCS(=O)(=O)C1 920380187 HUDSHXBLITUQBD-SECBINFHSA-N 313.335 -0.082 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 1116600647 ZDEZSJSAELSHGF-UHFFFAOYSA-N 320.305 -0.696 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)Cc1cccnc1 1318268337 ZTJYTNOTHSCQKR-UHFFFAOYSA-N 319.321 -0.897 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCCO[C@@H]2CCOC2)cn1 1319571529 BKKLCSZHSNOCPO-LLVKDONJSA-N 311.342 -0.440 50 20 DBGD COc1ccc(C(=O)NNC(=O)COCc2nncn2C)cc1 1324912541 ILAQIKRJASMPLM-UHFFFAOYSA-N 319.321 -0.199 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 1349077220 SWRNKSQRZYITOP-UMNHJUIQSA-N 324.381 -0.247 50 20 DBGD COCC(=O)NNC(=O)Nc1snc(C)c1-c1nn[nH]n1 1579642164 PVOCFQRGHHZXLD-UHFFFAOYSA-N 312.315 -0.569 50 20 DBGD NNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1580358703 SRCGMFUBKRLWSQ-UHFFFAOYSA-N 305.381 -0.503 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ncccc1C(=O)O 1588799472 JKWXNBUFGOYRIE-VIFPVBQESA-N 310.310 -0.644 50 20 DBGD Cn1ccnc(NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1=O 1592582435 NHHSDIRSYXTZBK-UHFFFAOYSA-N 312.293 -0.283 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 1601313355 NXDINJGHUYQCGT-VHSXEESVSA-N 311.338 -0.353 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1cccc(Cl)c1 1602072038 KUXMKQZSJABNII-UHFFFAOYSA-N 307.715 -0.083 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 68215950 AOPNOKVASDLQMW-UHFFFAOYSA-N 313.291 -0.490 50 20 DBGD O=C(CN[C@@]1(CO)CCc2ccccc21)NNC(=O)C1CC1 132199042 JQSXEPAUYOITIR-MRXNPFEDSA-N 303.362 -0.033 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccnc(Cl)c1 264160797 SOFWGEMIXSICBI-ZCFIWIBFSA-N 320.758 -0.566 50 20 DBGD O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)N1CCOCC1 268583633 SNARXDVJEAKBMH-UHFFFAOYSA-N 317.301 -0.160 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)NC2CCCCC2)nn1 268871674 QEFONXOLRNCPBW-VIFPVBQESA-N 310.358 -0.006 50 20 DBGD CCCN(C)S(=O)(=O)NNC(=O)COc1ccccc1O 268896301 VVLXGDFHVRKRIF-UHFFFAOYSA-N 317.367 -0.022 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)Cc1nncn1C 286989282 PHBVIHOYYLPKHW-UHFFFAOYSA-N 320.328 -0.153 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNc2ncncc2F)c(=O)c1 294693177 USARVBWERFDPNO-CQSZACIVSA-N 321.312 -0.020 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(CC(N)=O)C(C)C 298007449 YOQJFCXJMPKHHD-UHFFFAOYSA-N 320.393 -0.119 50 20 DBGD COCCCNC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 299241661 SAAMRSDYIGGTRT-UHFFFAOYSA-N 314.302 -0.452 50 20 DBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 299553603 LTORHPRBZHIDLY-VIFPVBQESA-N 312.370 -0.693 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccn(-c2ncccc2F)n1 364340919 HVIBUYVPRKUTQN-UHFFFAOYSA-N 321.316 0.121 50 20 DBGD CCN1CCO[C@@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1 367744263 LIYGCALGDZCMSD-LLVKDONJSA-N 317.353 -0.174 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)/C=C/c1ccc[nH]1 492890670 FDQKFDSODKSQOB-GJIOHYHPSA-N 300.340 -0.887 50 20 DBGD Cn1cc(C[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)C2)cn1 584954047 DVDFFXGIOBYHQN-GFCCVEGCSA-N 313.166 -0.195 50 20 DBGD OB(O)c1ccc(CNCC2(N3CCCC3)CCOCC2)o1 585022449 OEVWDROFDLGZAK-UHFFFAOYSA-N 308.187 -0.306 50 20 DBGD CN(CC(=O)NNC(=O)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 728608364 VKMFPCDMQMMDIS-JTQLQIEISA-N 319.427 -0.311 50 20 DBGD Cc1cc(CC(=O)NN=C2CCN(S(C)(=O)=O)CC2)n[nH]1 747630657 YAFWUNYSUXASGI-UHFFFAOYSA-N 313.383 -0.212 50 20 DBGD O=C(CO)NNC(=O)Nc1ccccc1CN1CCNC1=O 757927021 UMVNQBFZOGMPEF-UHFFFAOYSA-N 307.310 -0.643 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCC(C)(C)C1 758024444 GBBITFLDXOFIBE-RKDXNWHRSA-N 305.400 -0.102 50 20 DBGD CC(C)NC(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 760802771 BXJADXMDMZQKJW-UHFFFAOYSA-N 318.337 -0.077 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)NC1CC1)N1CCCS1(=O)=O 772686473 DMAJQWDTUUKFRS-SNVBAGLBSA-N 318.399 -0.461 50 20 DBGD CN1CC[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1=O 772990080 CIVSOANAWSSAOI-SNVBAGLBSA-N 315.333 -0.145 50 20 DBGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(=O)NC 778559698 DXYWCXHAWAUTFA-UHFFFAOYSA-N 305.312 -0.249 50 20 DBGD CC[C@H](C)[C@@H](OC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 793177035 POSSBUPNZAJENE-LPEHRKFASA-N 321.399 -0.435 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccnc2N(C)C)CC1 807382522 KEMNXZGIDNWCRA-UHFFFAOYSA-N 306.370 -0.251 50 20 DBGD CS(=O)(=O)N1CC(CNC(=O)NNc2ncncc2F)C1 814323294 PAFQTGYVGSGMGM-UHFFFAOYSA-N 318.334 -0.867 50 20 DBGD C#CCNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 823850024 HWPAEYOSZFYZAK-UHFFFAOYSA-N 301.335 -0.391 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 827273238 FXLWBKLTDYHEJT-KSEWBTFVSA-N 317.411 -0.007 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1sccc1-n1cnnn1 843647136 RVTJQHPMHDMAPU-HTQZYQBOSA-N 322.350 -0.090 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@](C)(O)Cn1ccccc1=O 843970415 FRUPRYXRPSZSEK-PGUXBMHVSA-N 323.349 -0.828 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1OC 847284815 RPEPNUSAGGNLKG-ZJUUUORDSA-N 321.333 -0.024 50 20 DBGD O=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1cc[nH]n1 855359400 QJHDSXSAWXUYSH-UHFFFAOYSA-N 314.367 -0.082 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NC[C@@]1(C)C[C@H]1Br 857402642 PLPUNKHYUATAKD-LDYMZIIASA-N 320.187 -0.472 50 20 DBGD COc1cccc(OC)c1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862456610 PXIQZBYUFICFKA-SNVBAGLBSA-N 321.333 -0.328 50 20 DBGD O=C(CNC(=O)NC1CCCCC1)NNC(=O)c1cn[nH]c1 862474784 OYIBSTDCEDZALM-UHFFFAOYSA-N 308.342 -0.197 50 20 DBGD COC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863871340 JMCJPZSVNQHEJJ-UHFFFAOYSA-N 310.090 -0.970 50 20 DBGD CC1(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)OCCO1 863877114 SDQHMPULBSOTGX-UHFFFAOYSA-N 319.166 -0.018 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCc2cnc(C)n2C1 869904580 BPXWUKYOGYDYLB-LLVKDONJSA-N 310.354 -0.436 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2cccs2)[C@@H](CO)C1 879003007 STLTWGDVUCIGTK-SNVBAGLBSA-N 312.395 -0.883 50 20 DBGD O=C(NNS(=O)(=O)c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 919953862 CJXOTMRKKJVJOD-UHFFFAOYSA-N 311.279 -0.059 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)n1ccnc1 1251469040 XTAKGNBUPPUEGC-SECBINFHSA-N 305.294 -0.386 50 20 DBGD O=C(NNC(=O)c1cc(-n2cccn2)ccn1)C(=O)NC1CC1 1318725915 FIQHHWKLFPQABK-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)NC)oc1C 1318984591 BZKASFWQWRGTMC-UHFFFAOYSA-N 304.328 -0.540 50 20 DBGD CS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CO)c1 1320108351 LULFXSTXPCXYFZ-UHFFFAOYSA-N 306.727 -0.503 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C)cnc1Cl 1324425601 BAPBKDXCQFREOO-UHFFFAOYSA-N 314.685 -0.698 50 20 DBGD Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1329128534 SKSBBLOCABWSFV-ZCFIWIBFSA-N 302.356 -0.678 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)C1CCOCC1 1331290704 VZGXDCIKYRLRFP-VIFPVBQESA-N 300.359 -0.390 50 20 DBGD CNC(=O)CN1CCC(NC(=O)NNc2ncccn2)CC1 1337488125 GKIZPJMUPIXFTD-UHFFFAOYSA-N 307.358 -0.687 50 20 DBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CO1 1574687146 ROBWJHNJFRYDHM-KOLCDFICSA-N 322.321 -0.074 50 20 DBGD CNC(=O)NNC(=O)c1ccc2c(-c3nn[nH]n3)c[nH]c2c1 1591212411 QBIDSRPIZZIRCZ-UHFFFAOYSA-N 300.282 -0.078 50 20 DBGD COC(=O)[C@@H]1CC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591278105 KYBSRNRDEDOXEK-DTWKUNHWSA-N 317.309 -0.096 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2c[nH]c(C(=O)O)c2)ccc1=O 1600932823 SGKHWWZCCWEIFI-UHFFFAOYSA-N 304.262 -0.514 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2cccc(C(=O)O)c2F)CC1 1601192666 SOHVRGSWDGZETR-UHFFFAOYSA-N 317.298 -0.212 50 20 DBGD O=C(O)C[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 1602111267 DXVBMMPZIRGUQU-SCZZXKLOSA-N 309.102 -0.121 50 20 DBGD O=C([C@@H]1C=CCN1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559690 JUYVLDZVYHKCEZ-BJDJZHNGSA-N 313.785 -0.684 50 20 DBGD C[C@@H](CNC(=O)NNc1ncccn1)CN1CCN(C)CC1 175796067 HHRIGXDZSZDFJZ-LBPRGKRZSA-N 307.402 -0.014 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2cccn2C)c1C 270216323 OCODJPCHFJZTMG-UHFFFAOYSA-N 303.322 -0.190 50 20 DBGD NC(=O)C1=NO[C@@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)C1 297857601 FKTREXUOIDJKLI-SECBINFHSA-N 322.281 -0.149 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)cc1 298598962 ZHULFWTZUKFIFU-SNVBAGLBSA-N 314.363 -0.046 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(NC(=O)OC)cc1 495487371 NRIWAMISILKQLP-UHFFFAOYSA-N 302.312 -0.013 50 20 DBGD C[C@H](CNCc1ccccc1B(O)O)CN1CCN(C)CC1 585022410 NMQKXLSDUIXSRH-CQSZACIVSA-N 305.231 -0.661 50 20 DBGD OCCCN1CCC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585043609 PETUOLQNCZZZLY-CQSZACIVSA-N 310.178 -0.558 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cn1 732082874 QQCJHXQDXCFXHY-UHFFFAOYSA-N 302.294 -0.452 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)c2cnn(C)c2)CC1 735521977 JWKACHKIHPOYLJ-UHFFFAOYSA-N 308.386 -0.791 50 20 DBGD O=C(COCc1ccccc1)NNS(=O)(=O)c1cnc[nH]1 737755894 HYEWZJZDNSWMKV-UHFFFAOYSA-N 310.335 -0.064 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 741092273 BCLTWEVZQDRNKP-UWVGGRQHSA-N 321.399 -0.291 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(OCC(N)=O)cc1 745988614 DMHKFZQMTYMPPW-UHFFFAOYSA-N 306.322 -0.475 50 20 DBGD O=C(C#Cc1ccccc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747366589 XAMTVQUBQVZVIQ-GFCCVEGCSA-N 321.358 -0.444 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(F)=C1CCCC1 758047938 ZPVPXUNLHKRSRY-ZETCQYMHSA-N 307.347 -0.131 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cncc2ccccc12 764203300 HIJZRTKCZQGNJS-UHFFFAOYSA-N 315.333 -0.118 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 764304417 ZZVUFSVLCAURSP-UHFFFAOYSA-N 319.317 -0.062 50 20 DBGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2cnn[nH]2)c1C 769182444 AKEMIWKCCLQWAC-UHFFFAOYSA-N 306.282 -0.389 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1O 771927579 KBGQDPDEWNHGTB-UHFFFAOYSA-N 310.266 -0.414 50 20 DBGD COc1ccc(NNC(=O)CCC(=O)NCCNC(C)=O)nc1 781526018 MBJRGKDUJCVSAT-UHFFFAOYSA-N 323.353 -0.434 50 20 DBGD C=C[C@H](NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)OC 799975960 OXLGYDJVCGAPNS-NSHDSACASA-N 302.294 -0.376 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)nc1 802029356 PAKSWQRIINYYDI-UHFFFAOYSA-N 300.278 -0.536 50 20 DBGD CN(C)c1nccc(NNC(=O)[C@H]2CCc3nnn(C)c3C2)n1 810427892 SFGVZPHBUVUDDI-VIFPVBQESA-N 316.369 -0.081 50 20 DBGD O=C(CNC(=O)c1cccnc1)NN=Cc1c[nH]c(C(=O)O)c1 814873968 YBTKZNIEQJAALP-UHFFFAOYSA-N 315.289 -0.012 50 20 DBGD CC(=NNC(=O)NCC(=O)O)c1ccc(S(N)(=O)=O)cc1 833384842 NSXZYLSJERLOGK-UHFFFAOYSA-N 314.323 -0.558 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(N(C)C)cn1 848779244 MZRKWYANBWSMFL-MRVPVSSYSA-N 309.326 -0.355 50 20 DBGD O=C(CN1CCC(N2CCOC2=O)CC1)NNC(=O)C1CC1 852722111 QKXBMTOJMGGPJG-UHFFFAOYSA-N 310.354 -0.540 50 20 DBGD CNC(=S)N(C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 854926213 XHIHHLFXNSSUEI-UHFFFAOYSA-N 322.437 -0.595 50 20 DBGD CCCC[C@@](C)(F)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 857116622 KSXUAHZNOWYELH-GZMMTYOYSA-N 311.379 -0.010 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCN(CC3CC3)C2)N1 858235173 METHEIWFLXLWEO-GHMZBOCLSA-N 309.370 -0.920 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 861946102 KRSHEQXTYJVESO-SNVBAGLBSA-N 322.296 -0.501 50 20 DBGD Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 861947190 RBKGGLBZUQFMJG-VIFPVBQESA-N 322.296 -0.501 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)N1 863414550 ZZQKSYICCXLXLY-VIFPVBQESA-N 317.754 -0.072 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)N(C)C)C[C@H](C)O1 877999077 NIZKMRZXFZOUPG-SRVKXCTJSA-N 300.403 -0.417 50 20 DBGD CC(C)NS(=O)(=O)CCNS(=O)(=O)CCCCl 881841999 OLMXUEVJYFGSEM-UHFFFAOYSA-N 306.837 -0.138 50 20 DBGD COC[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1CCCO1 883614971 WAKSNUCHGIAGTJ-NWDGAFQWSA-N 315.370 -0.063 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CN2CCNC(=O)C2)cc1 899946973 LIKRBKRFSYYPHY-UHFFFAOYSA-N 304.350 -0.558 50 20 DBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913730154 JJMVKJRJNWIPGU-NSHDSACASA-N 324.381 -0.453 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)CN2CCCC2=O)n(C)n1 913731544 MNKKYQHQCHSBCL-UHFFFAOYSA-N 307.354 -0.073 50 20 DBGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cn[nH]c1 916143134 QCAWFCUDWWLAQD-UHFFFAOYSA-N 322.350 -0.222 50 20 DBGD N#Cc1ccc(F)c(CNC(=O)NNC(=O)C(=O)NC2CC2)c1 1119663632 SJYLWKUTXPRSJP-UHFFFAOYSA-N 319.296 -0.194 50 20 DBGD COC(=O)c1cccc(NNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 1320065398 JSLPOGIEOMPWBC-JTQLQIEISA-N 320.305 -0.096 50 20 DBGD Cn1cccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1324095033 KRRGONFFLMDUAH-MRVPVSSYSA-N 300.340 -0.844 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnc2n1CCCCC2 1331208624 ARCXZFNBWVKWPY-UHFFFAOYSA-N 307.354 -0.105 50 20 DBGD CN(NC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)C(N)=O 1342118778 MZGGXGPIQRTDAP-SECBINFHSA-N 309.248 -0.398 50 20 DBGD Cn1nncc1CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1581850000 KYVBAZHQOBIVNO-UHFFFAOYSA-N 315.301 -0.784 50 20 DBGD CC(=O)C1(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588785166 JTSLOGXWTHKTBZ-UHFFFAOYSA-N 314.305 -0.003 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)C[C@H](C(=O)O)C1 1591111440 NKXJUVLTSFSBRZ-DCAQKATOSA-N 315.370 -0.664 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)c2cccnc2)n1 1595151518 CRIRQMZINGMAGF-UHFFFAOYSA-N 304.266 -0.171 50 20 DBGD O=C(Cn1cccc(C(=O)O)c1=O)NNc1ncc(F)cn1 1601387809 PQTSBKVLFIZTFV-UHFFFAOYSA-N 307.241 -0.381 50 20 DBGD O=C(N[C@@H](C[C@H]1CCCOC1)C(=O)O)c1cccc(B(O)O)c1 1601409494 COFAORWIJYESFE-MFKMUULPSA-N 321.138 -0.634 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2ncccc2C(=O)O)C1=O 1604200475 BAYKWQYFWFJJED-UHFFFAOYSA-N 307.266 -0.883 50 20 DBGD C[C@@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1795951516 FXAHRYAILSRPFK-HHHUOAJASA-N 317.817 -0.181 50 20 DBGD O=C(NNC(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 5771696 CPFYLQHGCUQFGY-UHFFFAOYSA-N 306.278 -0.022 50 20 DBGD O=C(NNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)N1CCCC1 272488103 GTUWKUJDAGWCGJ-UHFFFAOYSA-N 322.277 -0.316 50 20 DBGD CC(=O)CCCC(=O)NNC(=O)CNC(=O)c1cccnc1 276564394 HQPDTSGUKPRNKK-UHFFFAOYSA-N 306.322 -0.282 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2=COCCO2)C[C@@H](C)O1 298226257 AGSJVMFRSUCTPO-GHMZBOCLSA-N 313.354 -0.479 50 20 DBGD COC(=O)NNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 298590951 WNLOSKMPEBRUME-UHFFFAOYSA-N 322.281 -0.975 50 20 DBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NN(C)C(N)=O)CC1=O 367877194 GGLHNGWQSZAKIE-MNOVXSKESA-N 311.386 -0.639 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)/C=C\c1ccc[nH]1 492891104 FDQKFDSODKSQOB-SLGIHZDVSA-N 300.340 -0.887 50 20 DBGD O=C(CC1CCCC1)NCCNC(=O)c1ccc(B(O)O)cc1 584937180 BAVSHXIVQPSXDE-UHFFFAOYSA-N 318.182 -0.207 50 20 DBGD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584940103 PDGBAFYTQYUWED-RKDXNWHRSA-N 310.134 -0.462 50 20 DBGD CC(C)C(=O)N1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584963419 YFHUGJMSJNKBMP-NSHDSACASA-N 322.145 -0.508 50 20 DBGD CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](O)C(F)(F)F 584968928 PQYHTDCXCMTIPV-ZJUUUORDSA-N 323.051 -0.063 50 20 DBGD C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584985669 OHUOHOBXJJTXME-FQJNGZCASA-N 313.159 -0.513 50 20 DBGD CO[C@@]1(C)C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 745935991 WPLGTVYADFKMGN-XPTSAGLGSA-N 312.370 -0.201 50 20 DBGD C[C@H]1CN(c2ccc(NC(=O)NNC(=O)CO)cn2)C[C@@H](C)O1 755866058 SSNJHNXXNZXZOF-AOOOYVTPSA-N 323.353 -0.160 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@]1(OC)CCOC1 764805362 RTNKAYCCGZLAEP-GWCFXTLKSA-N 319.358 -0.826 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccccc1F 779844406 ILCQMDLRCULSJD-UHFFFAOYSA-N 305.287 -0.509 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCS1 783380257 VSSGVLGEDGFFIU-IUCAKERBSA-N 306.409 -0.146 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1CCOC 786417163 NIWKKWHZVIFCMU-UHFFFAOYSA-N 323.349 -0.002 50 20 DBGD CC(=O)N1CC(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)C1 788159731 SAKAFYIVMFBAQJ-SECBINFHSA-N 313.354 -0.410 50 20 DBGD COCCN(C)c1ccc(C=NNC(=O)C(=O)NC2CC2)cn1 790152910 AVSTXAYGNKAOSP-UHFFFAOYSA-N 319.365 -0.107 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CO)[C@@H](O)C1 808750686 NDMDZWOGEIKNEE-SRVKXCTJSA-N 301.387 -0.757 50 20 DBGD O=C(CN1CC[C@H](CO)[C@H](O)C1)NNC(=O)c1cccs1 808751868 NPKVYFOCTJXWOM-NXEZZACHSA-N 313.379 -0.816 50 20 DBGD COCC(C)(C)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 823456924 UIGRHFTYYWOUHH-UHFFFAOYSA-N 312.414 -0.414 50 20 DBGD COCCCNC(=O)NNC(=O)c1cnc(C2CC2)nc1N 823810243 JQTOWKJPIXCGMI-UHFFFAOYSA-N 308.342 -0.083 50 20 DBGD CC(=O)NCCN(C)CC(=O)NNC(=O)Cc1ccccc1C 830148011 BOZNXCYHNDCBHU-UHFFFAOYSA-N 320.393 -0.247 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1=CC[C@H](C)CC1 839651139 ZNRDFHIKMYXTQJ-IUCAKERBSA-N 303.384 -0.182 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843641367 BUZOTJKSMZXLHC-UTLUCORTSA-N 321.399 -0.867 50 20 DBGD CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)c1cc[nH]n1 857306615 ZVNYYHSMFJZGGN-GFCCVEGCSA-N 309.370 -0.036 50 20 DBGD CC(C)[C@@H](O)C1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858697299 RGMONDZXMKBPBO-MWLCHTKSSA-N 312.370 -0.608 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NC[C@H]1COCCN1 861681070 DXKLWRXGUPTCJQ-JTQLQIEISA-N 324.337 -0.910 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCC1=O 862453024 HVTLWVMTIWQLHA-JOYOIKCWSA-N 310.354 -0.941 50 20 DBGD COC(=O)NC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863884922 CQSNYDFIBPJDNH-UHFFFAOYSA-N 324.117 -0.534 50 20 DBGD C[C@@H](NC(=S)NNC(=O)c1cccc(B(O)O)c1)C1CC1 863886792 NDMONUCKWNPUTN-MRVPVSSYSA-N 307.184 -0.726 50 20 DBGD O=C(/C=C/CN1CCOCC1)NNC(=O)c1cccc(F)n1 869313957 MLCCOZJDVWHDHG-GORDUTHDSA-N 308.313 -0.130 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cc(Br)nn1C 879643119 DDOCFQLCIHZIFI-UHFFFAOYSA-N 319.163 -0.103 50 20 DBGD C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)n1cncn1 1116751336 GXPFLUIPTUKQPB-UWVGGRQHSA-N 301.372 -0.669 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)Cc1cccnc1 1318506555 CGIFWJFGROZFFM-UHFFFAOYSA-N 307.354 -0.273 50 20 DBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)C(=O)NC(C)C 1321527230 SKUWNKNIMQVZBF-JTQLQIEISA-N 315.443 -0.509 50 20 DBGD Nc1cnnc(NNC(=O)CCn2cnccc2=O)c1Cl 1324310601 ZRMLBMOMZFJQAE-UHFFFAOYSA-N 309.717 -0.198 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 1328701040 AEBHGJQNTWJDKA-ZJUUUORDSA-N 316.427 -0.225 50 20 DBGD O=C(NNC(=O)N1CCOC[C@H]1[C@H]1CCCO1)c1cn[nH]c1 1331536539 HLKWXOIBCYKENX-WDEREUQCSA-N 309.326 -0.356 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccccc1OCC#N 1331833608 KHXCRELTXXPVCB-UHFFFAOYSA-N 311.319 -0.605 50 20 DBGD Cn1cnc(CNC(=O)NNc2ccc(-n3cccn3)nn2)n1 1341552559 FLRVNOSZEVOLLP-UHFFFAOYSA-N 314.313 -0.383 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@H]2CNCCC2(F)F)cn1 1579953234 OWLJZQVQTDSJSJ-SECBINFHSA-N 316.312 -0.391 50 20 DBGD Nc1cc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)ccn1 1580434003 BZVQEEMBKRDEDH-GFCCVEGCSA-N 319.365 -0.322 50 20 DBGD O=C(/C=C\[C@@H]1CCCNC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1580493903 MZZHZPQVDMNEAU-CBZSPVTBSA-N 315.395 -0.876 50 20 DBGD CC1(O)CC(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 1603819253 FOYGHTJWPVNOTC-UHFFFAOYSA-N 316.321 -0.211 50 20 DBGD NC(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843367687 VZGKXSUFECSTQX-MRVPVSSYSA-N 306.725 -0.608 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)NC2CC2)cc1 9889706 WBDSKQAVSDKSPF-UHFFFAOYSA-N 302.290 -0.637 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccc[nH]1 178085758 NSIBTNLFWMGGQO-QMMMGPOBSA-N 302.294 -0.448 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)Cc2ccccc2F)CC1=O 267498045 LUPWTLSBFNKUSP-JTQLQIEISA-N 308.313 -0.071 50 20 DBGD COc1ccc(NNC(=O)NC[C@H]2CN(C)CCN2C)nc1 275933638 IDUUXPATAKEIAR-NSHDSACASA-N 308.386 -0.038 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cn2cc(Cl)cn2)CC1 288087348 VRPNENXXEZNGFQ-UHFFFAOYSA-N 300.750 -0.475 50 20 DBGD CNS(=O)(=O)c1ccc(CCC(=O)NNc2nnc[nH]2)cc1 293802578 DJUFWWJJSFBQEY-UHFFFAOYSA-N 324.366 -0.211 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)c(O)c1 299069559 YBRCZZBOKFQFSY-MRVPVSSYSA-N 300.336 -0.105 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584944943 DMHDXUDJXKPOBZ-QMMMGPOBSA-N 317.147 -0.942 50 20 DBGD O=C(NCC1(CO)CCOCC1)c1cc(B(O)O)ccc1F 584965533 SSNSXFPCLFMCJR-UHFFFAOYSA-N 311.118 -0.976 50 20 DBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)N1CCCCC1=O 584980105 QJDUNLCWQPOYIR-SNVBAGLBSA-N 322.145 -0.364 50 20 DBGD CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cccc(B(O)O)c2)C1 585028644 MKXSQZOBSJUBST-KGLIPLIRSA-N 311.212 -0.188 50 20 DBGD O=S(=O)(NCB(O)O)c1ccc(OCC(F)(F)F)cc1 585055698 HMAUZOLQTQBTAN-UHFFFAOYSA-N 313.062 -0.082 50 20 DBGD CN(C)S(=O)(=O)c1cc(C(=O)NCB(O)O)ccc1Cl 585057848 MEOUOPDTPQEYFD-UHFFFAOYSA-N 320.563 -0.668 50 20 DBGD C#CCCCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758057595 VWCIFDFKFFYGMJ-SNVBAGLBSA-N 303.384 -0.345 50 20 DBGD Cn1cc(-n2cc(C(=O)NNC(=O)C3CC3)ccc2=O)cn1 760802549 ZGWQQJKUSHWANZ-UHFFFAOYSA-N 301.306 -0.258 50 20 DBGD O=C(CN1CC[C@H](NC(=O)NC2CC2)C1)NNC(=O)C1CC1 760896439 JQMZMQVNHFILOC-NSHDSACASA-N 309.370 -0.920 50 20 DBGD C[C@H]1CC(=NNC(=O)C(=O)NN=C2C[C@@H](C)N(C)C2)CN1C 761792767 GHNLUOOTFPSNCH-AOOOYVTPSA-N 308.386 -0.621 50 20 DBGD Cc1nc(C)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)o1 764341994 BJPMJWZSWRWOHR-UHFFFAOYSA-N 317.305 -0.123 50 20 DBGD CC(C)(C(=O)NNC(=O)N=c1cc[nH]cc1)N1CCOCC1 802029116 HHJWFRUTGGUSPG-UHFFFAOYSA-N 307.354 -0.233 50 20 DBGD O=C(C[C@@H]1COCCN1)NNc1nc(-c2cccnc2)no1 831890210 DWLKARXMJWTTCG-SNVBAGLBSA-N 304.310 -0.047 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 842000116 SEPOYIGPBLYBJQ-IMRBUKKESA-N 304.350 -0.078 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ccc(C#N)nc1 842593364 USLWKLMJMTVPAK-LDYMZIIASA-N 310.335 -0.312 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)COc1ccccc1F 847286385 NVQNJCRDXCYQRJ-BDAKNGLRSA-N 309.297 -0.137 50 20 DBGD CNC(=S)N(C)NC(=O)c1cccc(S(=O)(=O)NC)c1 854929170 ANWNWFURNFWWDN-UHFFFAOYSA-N 316.408 -0.324 50 20 DBGD CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858602068 PLNYCDJPISWJIQ-UWVGGRQHSA-N 311.386 -0.532 50 20 DBGD O=C(CCc1nc2ccccc2[nH]1)NNC(=O)[C@@H]1CCC(=O)N1 862449275 DGOHNHCTIUQYEC-NSHDSACASA-N 315.333 -0.079 50 20 DBGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cn[nH]c1 862474904 SRRQIQPNWNKCKZ-VIFPVBQESA-N 313.383 -0.181 50 20 DBGD Cc1csc(C(=O)NNC(=O)C2=NN3CCCN=C3N2)c1 862479266 JAYBAPZVKTYSEN-UHFFFAOYSA-N 306.351 -0.204 50 20 DBGD COC[C@@](C)(CO)NCC(=O)NNC(=O)c1ccc(C)cc1 879164136 WGNZRPCZZRSDCZ-OAHLLOKOSA-N 309.366 -0.257 50 20 DBGD CC(=O)N1C[C@@H]2CN([C@H](C)C(=O)NNC(=O)CC(C)C)C[C@@H]2C1 880311360 CXZPROZSWHUUSP-BNOWGMLFSA-N 324.425 -0.022 50 20 DBGD CC(C)N1CCN(CCC(=O)NNC(=O)c2cn[nH]c2)CC1 912976635 AABUCEFCZYKZMC-UHFFFAOYSA-N 308.386 -0.413 50 20 DBGD CC(C)(C)NC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)C1CC1 932440728 OHTVDUJVFPQYJM-NSHDSACASA-N 310.398 -0.077 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CN2C(=O)CNC2=O)cc1 1115812431 LLPGBLFLQUWICT-UHFFFAOYSA-N 304.306 -0.438 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc2ccncc12 1116600326 SDSFDJLGYZCZRG-UHFFFAOYSA-N 302.290 -0.297 50 20 DBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=S)NC(C)C 1116896493 QIOSRPSGSVQJDB-UHFFFAOYSA-N 320.396 -0.247 50 20 DBGD COC[C@H](C)CNC(=O)NNC(=O)C(=O)Nc1ccccn1 1319097726 HZRLFRUATLZXOM-SECBINFHSA-N 309.326 -0.367 50 20 DBGD Nc1cnnc(NNC(=O)c2ccc3nnnn3c2)c1Cl 1319303787 TUPCAPQRDAPVGJ-UHFFFAOYSA-N 305.689 -0.093 50 20 DBGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(C)=O 1320348867 GWBCOQWNPKCRGC-UHFFFAOYSA-N 311.294 -0.182 50 20 DBGD CN(C)N(C(=O)CO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1330178469 WQFYAPFZCQEYCS-WDEREUQCSA-N 306.384 -0.716 50 20 DBGD O=C(NNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1)c1cn[nH]c1 1331536538 HLKWXOIBCYKENX-QWRGUYRKSA-N 309.326 -0.356 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2cnc(Cl)n2C)cn1 1340510669 WDRJFQXELIAVIH-UHFFFAOYSA-N 318.746 -0.570 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@]2(C)C[C@H](O)CN2)c1 1574152187 UGYJCRHIAVUYGH-LRDDRELGSA-N 321.377 -0.057 50 20 DBGD O=C(CCCc1cnn[nH]1)NNC(=O)c1ccnc(CO)c1 1577866206 LOPIUWPDHBSTAF-UHFFFAOYSA-N 304.310 -0.524 50 20 DBGD CC[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1590856743 VCQKMSRDSHKPMG-JTQLQIEISA-N 319.325 -0.418 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](Cc1cncs1)C(=O)O 1594712538 QPSJIDISDHXXTD-IONNQARKSA-N 314.367 -0.326 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1sc(C)cc1C(=O)O 1599142780 IEMUANRSBFRWSZ-UHFFFAOYSA-N 315.307 -0.513 50 20 DBGD O=C(O)C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CC1 1601892838 RIQJTDDDUUFRPB-BDAKNGLRSA-N 312.326 -0.904 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1604949563 DHDUGALOPSSXTK-UHFFFAOYSA-N 312.311 -0.242 50 20 DBGD Cc1csc(C(=O)NNC(=O)c2cn(CC(=O)O)nn2)c1 1605381788 VOLKDTQIWLDKCF-UHFFFAOYSA-N 309.307 -0.193 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H](O)c1cccnc1 1606857459 JHHJUOPYNUFQSQ-NSHDSACASA-N 312.293 -0.167 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CN1C(=O)CN(C)C1=O 8094040 SXSCNSRKSYUBPP-UHFFFAOYSA-N 304.306 -0.350 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N)cn1 176761646 STDHBZKFXQWGMC-UHFFFAOYSA-N 304.266 -0.015 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)Cc1ccccc1OC 270372362 BUCATKTXLKJMIB-UHFFFAOYSA-N 323.349 -0.510 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(C)=O)c(OC)c1 275966243 BZHLHKLPQTWTMJ-UHFFFAOYSA-N 302.308 -0.189 50 20 DBGD Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(=O)NCC(=O)N(C)C 288180330 OHBUJVMFBKSCMS-UHFFFAOYSA-N 323.309 -0.449 50 20 DBGD CN1N=C(C(=O)NNC(=O)CNc2ccccc2)CCC1=O 294949456 NWKNALVIIUWPMM-UHFFFAOYSA-N 303.322 -0.146 50 20 DBGD Cc1ncc2c(n1)CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C2 584928304 ONRYOVWTVOPNPW-CQSZACIVSA-N 311.150 -0.248 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](C)n1cncn1 584942733 CWUYOXOBWMCBEC-DTWKUNHWSA-N 306.106 -0.524 50 20 DBGD CCCNC(=O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584945163 WESUGGIITJNHBG-UHFFFAOYSA-N 318.182 -0.255 50 20 DBGD CCc1nncn1CCNC(=O)c1ccc(B(O)O)c(F)c1 584950116 PRDPQYIEZPBQJB-UHFFFAOYSA-N 306.106 -0.911 50 20 DBGD CC[C@H](C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N(C)C 584981385 FOOKEBNLUPVKIC-GWCFXTLKSA-N 306.171 -0.401 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H](C)S1(=O)=O 584990598 GAVQILDYKSFDJE-UWVGGRQHSA-N 311.168 -0.986 50 20 DBGD C[C@H]1NC(=O)CC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 585002277 SAXWMDKSDXYKIF-BDAKNGLRSA-N 308.118 -0.850 50 20 DBGD NC(=O)[C@H]1CCCN(CCCNCc2cccc(B(O)O)c2)C1 585021537 BEZJBYCDLDUSNG-AWEZNQCLSA-N 319.214 -0.957 50 20 DBGD COc1ccc([C@H](O)CNCc2ccc(B(O)O)o2)cc1OC 585025397 SOYPEAOOHJGYCV-GFCCVEGCSA-N 321.138 -0.200 50 20 DBGD CCc1nn(C)c(OC)c1CNCc1cccc(B(O)O)c1 585035799 YCDZEKRFESVEJT-UHFFFAOYSA-N 303.171 -0.039 50 20 DBGD COCCO[C@H]1COCC[C@@H]1NCc1cccc(B(O)O)c1 585036726 PNWNCUMUTSLERH-GJZGRUSLSA-N 309.171 -0.724 50 20 DBGD COc1ccc(C)cc1N1C[C@H](C(=O)NCB(O)O)CC1=O 585057817 LFJUFKSZYYQDAY-SNVBAGLBSA-N 306.127 -0.515 50 20 DBGD NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCCCl)C1 707499718 WLKRJXRBVFIDSX-MRVPVSSYSA-N 304.821 -0.302 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1cccnc1 725897113 VIHCJRSXLYKTEB-VIFPVBQESA-N 314.367 -0.901 50 20 DBGD COCCC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744937650 AYKDLVXVLNCPCO-UHFFFAOYSA-N 305.290 -0.101 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccccc1NS(C)(=O)=O 746012427 ATCJEPAAVBIVDX-UHFFFAOYSA-N 300.340 -0.026 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 748849489 NPFNPCPGMNRXOI-MRVPVSSYSA-N 317.309 -0.745 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC([C@@H](O)C(=O)OC)CC1 749534749 CHPSTUJNSWHWHY-BXKDBHETSA-N 315.370 -0.822 50 20 DBGD C[C@@]1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCOC1 754871724 JKWSVURXUPOBIE-CQSZACIVSA-N 316.321 -0.150 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(N)=O)cs1 755893326 LJZRBIAXWMFJPZ-ZCFIWIBFSA-N 318.380 -0.765 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccc(Cl)nc2)nn1 763023180 LDJKGXMZSNHBTF-ZETCQYMHSA-N 324.728 -0.159 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)cc1OC(F)F 764429159 OQQACAICEFMTTH-UHFFFAOYSA-N 321.211 -0.495 50 20 DBGD CCOCC(=O)NNC(=O)NCCc1cn2c(n1)SCC2 768524967 SQDAATVNZJSGPZ-UHFFFAOYSA-N 313.383 -0.102 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1F 769741764 MIRXIKKMQKJVBI-UHFFFAOYSA-N 304.303 -0.563 50 20 DBGD O=C(CO)NNC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 777781639 DAXAWYWYZSXLDC-UHFFFAOYSA-N 318.333 -0.457 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccccc1Cn1cncn1 787944553 AJHPLPCHEGUYFX-UHFFFAOYSA-N 303.322 -0.142 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1ncncc1F 814318503 DRUVMWAHVWEGPA-UHFFFAOYSA-N 308.277 -0.605 50 20 DBGD CCN1C[C@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)CC1=O 838675801 NWAWZHVHURKUFK-LLVKDONJSA-N 322.369 -0.549 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCS2(=O)=O)cc1 847406418 JYVWEVRRSPVJBH-NSHDSACASA-N 307.331 -0.104 50 20 DBGD C/C(=C/C(=O)NNC(=O)N1CCN(C)CC1)c1cnccn1 854381525 MLHVFTVJXFJLPL-LUAWRHEFSA-N 304.354 -0.132 50 20 DBGD C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)c1cnn(C)c1 854381911 UVGRLTPHEUCGFS-LLVKDONJSA-N 308.386 -0.098 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nnnn2CC1)c1cccc(F)n1 856428542 XKZSEJUJXSZONE-QMMMGPOBSA-N 319.300 -0.379 50 20 DBGD C[C@@H](NNC(=O)c1ccc(S(N)(=O)=O)nc1)C(F)(F)F 862316269 NLQNCTYKJXYNII-RXMQYKEDSA-N 312.273 -0.086 50 20 DBGD Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862451459 NAOSYHKYPWHDBJ-MNOVXSKESA-N 307.354 -0.123 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862461559 QFUUPHQIAKVUKK-NHYWBVRUSA-N 305.334 -0.290 50 20 DBGD Cc1csc(C(=O)NNC(=O)CN2CC(=O)N(C)C2=O)c1 862481084 RBBUEMGXDAWIRB-UHFFFAOYSA-N 310.335 -0.288 50 20 DBGD OCCn1ncc2c1CCC[C@@H]2NCc1cccc(B(O)O)c1 876965082 AIKBJUVDHGQENV-HNNXBMFYSA-N 315.182 -0.278 50 20 DBGD C#CCCCC(=O)NNC(=O)CN1CCCCS1(=O)=O 887153298 PCFOAKGFEXUKID-UHFFFAOYSA-N 301.368 -0.637 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CN1CCCC1=O)N1CCCC1=O 913731182 XUUKZHNCQRYZCD-CQSZACIVSA-N 324.381 -0.597 50 20 DBGD COC[C@H](C)NC(=S)NNC(=O)[C@@H](C)CN1CCOCC1 916117898 NVSDPOOIZAZBDA-QWRGUYRKSA-N 318.443 -0.515 50 20 DBGD Cn1ccc(NC(=O)/C(C#N)=C/c2cn(C)c(=O)n(C)c2=O)n1 1116389312 XHRULXOHVBGFGM-RMKNXTFCSA-N 314.305 -0.637 50 20 DBGD COc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1-n1cnnn1 1118973961 DNZGBDRFNMZDHJ-JTQLQIEISA-N 317.114 -0.640 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 1321152347 PUBDKCRUICZQEI-UHFFFAOYSA-N 320.305 -0.887 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1329207169 FFTUMPONGLGTEW-LURJTMIESA-N 304.353 -0.960 50 20 DBGD CN(C)N(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCS(=O)(=O)C1 1330192780 QMULJVOTQKBPBH-ZETCQYMHSA-N 317.327 -0.576 50 20 DBGD Cc1noc(C)c1CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331520409 MDYHKGQRDKNBDB-JTQLQIEISA-N 309.326 -0.557 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NC[C@H]1CCC2(CNC2)O1 1580495630 OKQIMVLXRCLMNU-SSDOTTSWSA-N 310.276 -0.210 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 1589327403 VROKMENVUVIOOV-UHFFFAOYSA-N 304.310 -0.673 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc1N(C)C 1600251104 UDKGLYSEWUAMNN-UHFFFAOYSA-N 308.294 -0.768 50 20 DBGD O=C(O)[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)O1 1608479333 ZUJWLYUYWIFPTQ-WOPDTQHZSA-N 320.301 -0.230 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2nc(-c3cccnc3)no2)C1 266824827 JIAYVYWAHDWFNE-SNVBAGLBSA-N 304.310 -0.095 50 20 DBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)CC1=O 267565565 FWZJSYNAYHAMNK-LBPRGKRZSA-N 319.365 -0.036 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CCCC(=O)N1 270393884 CSUDUWVYWJJQKP-VIFPVBQESA-N 307.306 -0.413 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C2=NN(CCO)C(=O)CC2)s1 270771360 HVKCEPBLIQJDEP-UHFFFAOYSA-N 324.362 -0.212 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CSc1nnc(S)s1 277858284 BPZVKCBSJDIXOJ-UHFFFAOYSA-N 308.410 -0.163 50 20 DBGD C=CCNC(=S)NNC(=O)[C@](C)(O)Cn1c(C)cccc1=O 281256968 ORXXIJKBZNLSFT-CQSZACIVSA-N 324.406 -0.411 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 286282046 IRUCFUWDQLHOQO-NXEZZACHSA-N 308.294 -0.313 50 20 DBGD O=C(NNc1nc2ccccn2n1)[C@@H]1CN2CCCN1CC2 365134415 FXVPVFUMGGUDTA-NSHDSACASA-N 301.354 -0.438 50 20 DBGD CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)CCCCl)C1 400103312 BTLIDLSDBLFIMZ-VIFPVBQESA-N 318.848 -0.041 50 20 DBGD CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(B(O)O)cc2)C1 584967414 VCVSXWKUKBCGDV-LBPRGKRZSA-N 304.155 -0.693 50 20 DBGD C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(B(O)O)ccc1F 584976873 MUDHDZCMJQITCH-VIFPVBQESA-N 324.161 -0.119 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@H](n2ccnn2)C1 584999913 FTWTVBLZDFHRRY-NSHDSACASA-N 318.117 -0.426 50 20 DBGD CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585030087 WEWFMXHLYRITHG-KOLCDFICSA-N 301.173 -0.595 50 20 DBGD COc1cccc(C(=O)NNC(=O)CN2CCN(C)CC2)c1O 732275793 BTNZAIBCYQZWFK-UHFFFAOYSA-N 322.365 -0.591 50 20 DBGD NC(=O)CSCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 735646755 LJPOERZCVJSKDH-UHFFFAOYSA-N 312.307 -0.426 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C 736899862 KDIHCNGNYCEETI-VIFPVBQESA-N 316.358 -0.269 50 20 DBGD C[C@@H](CC(=O)NNC(=O)CN(C)C)NC(=O)OC(C)(C)C 743333363 OSKXXCWZRIFXOV-VIFPVBQESA-N 302.375 -0.001 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748451046 NTKIWRWOCLBCTI-UHFFFAOYSA-N 318.333 -0.297 50 20 DBGD CC(C)NC(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 755733286 OHRSMRUHTMTECE-UHFFFAOYSA-N 318.355 -0.118 50 20 DBGD Cc1nc(N2CCOCC2)ccc1NC(=O)NNC(=O)CO 757733476 NZFQPMBBIXPUEK-UHFFFAOYSA-N 309.326 -0.628 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)C(=O)N1CCCC1)CCCC2 765351118 PFNXDTFOXLTHJX-UHFFFAOYSA-N 319.365 -0.318 50 20 DBGD CCN1CCOC[C@H]1C(=O)NNC(=S)NCCSC 770240807 SDNHQPRNTSZJKH-VIFPVBQESA-N 306.457 -0.435 50 20 DBGD Cn1cc([C@@H](CO)NCC(=O)NNC(=O)c2cccs2)cn1 778139031 UUARAUHHBIYMSZ-SNVBAGLBSA-N 323.378 -0.434 50 20 DBGD COCCCNC(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 780473043 XEOJSJVPVRFODB-UHFFFAOYSA-N 321.341 -0.209 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1C 784061205 NIUCWGJJGUAOCJ-UHFFFAOYSA-N 314.367 -0.512 50 20 DBGD CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(CCCl)cc1 809838184 RWWUZHSDNAFJNC-LLVKDONJSA-N 320.798 -0.147 50 20 DBGD O=C1NC(=O)C(=NNC(=O)c2cc3ccccc3o2)C(=O)N1 814224019 ZEESGSIHEGTALG-UHFFFAOYSA-N 300.230 -0.115 50 20 DBGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNc1nc[nH]n1 816634665 PMCXKMJBIMWKIG-UHFFFAOYSA-N 307.314 -0.498 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 825272885 AEIOMZRPOOQVNG-SECBINFHSA-N 324.362 -0.754 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843974095 MZOMOBHIASFNBQ-GHMZBOCLSA-N 314.386 -0.985 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)COc1ccc(C)cc1 845553064 NISAHMDIHCVBOU-UHFFFAOYSA-N 324.337 -0.228 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1=O 846710442 LZFRPOSKIUWJFY-UHFFFAOYSA-N 301.306 -0.313 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 854919697 BGUWPIIHZKUOQU-QMMMGPOBSA-N 316.383 -0.060 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)c1ccnnc1)C(=O)OC(C)(C)C 854969092 WCGOBKBJSJRNDN-CQSZACIVSA-N 324.337 -0.016 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC2Cc3ccccc3C2)N1 858363437 UUNWVUOYKJDSAV-LBPRGKRZSA-N 302.334 -0.237 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc3c(c2)OCO3)N1 858692977 BRCMASPONJKQLD-SECBINFHSA-N 320.305 -0.476 50 20 DBGD CO[C@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1(C)C 858700504 NCHJYMQPXCGLGQ-UWVGGRQHSA-N 312.370 -0.247 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 863413030 BAZRBTYDCOGLOO-JTQLQIEISA-N 313.335 -0.717 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC(OCC(F)F)C1 863877093 ROSHLHUOGFXTFB-UHFFFAOYSA-N 303.045 -0.388 50 20 DBGD C[C@]1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C[C@H]1Br 906904130 CXBVMOVIVONRCU-CVJICSNFSA-N 316.155 -0.078 50 20 DBGD C[C@]1(C(=O)NN2CCS(=O)(=O)CC2)C[C@H]1Br 912999456 STMXSBMPXJIAJY-APPZFPTMSA-N 311.201 -0.079 50 20 DBGD COc1ccnc(NNC(=O)CCCN2C(=O)CNC2=O)n1 914762880 XAOHMSTZAMTIOS-UHFFFAOYSA-N 308.298 -0.740 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 1116182172 WXYRSNYEJIOGOE-UHFFFAOYSA-N 304.303 -0.986 50 20 DBGD COc1cc(C)cc(C(=O)NNC(=O)C(=O)NC2CC2)c1O 1318373494 QBZSISSKNOLMEW-UHFFFAOYSA-N 307.306 -0.251 50 20 DBGD C[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)n1cccn1 1319172979 ZPDKHZNRQNAKII-VIFPVBQESA-N 302.294 -0.375 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C(N)=O)c1ccccn1 1326299608 RMEVFBZZYZFNHE-QXEWZRGKSA-N 321.337 -0.637 50 20 DBGD Cc1cc(C[C@@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 1329733860 AXVOJHAVPMCANP-XCBNKYQSSA-N 308.342 -0.742 50 20 DBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1 1333161586 PLBNEFDDBVOTMH-LLVKDONJSA-N 312.370 -0.246 50 20 DBGD C#CCCCC(=O)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 1333573276 GDYUCPVQIBYSHC-JTQLQIEISA-N 318.420 -0.142 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CNC(=O)C(C)(C)C)nc21 1334111587 RCGKONAPYADCSF-UHFFFAOYSA-N 321.341 -0.326 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNc1nc2ccccn2n1 1338929522 CGTFFOLXICYDFX-UHFFFAOYSA-N 309.293 -0.147 50 20 DBGD CC(C)(N)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1573483450 MJULJOHRWCNTDI-UHFFFAOYSA-N 320.397 -0.032 50 20 DBGD CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCN1 1575522175 ITLNCDHBTNSIBN-VXGBXAGGSA-N 310.398 -0.077 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)o2)n[nH]1 1591958551 ODCKONHAMINYCV-UHFFFAOYSA-N 316.281 -0.505 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)c2cn[nH]c2)c1 1595122546 OLYZXZSITSFRAR-UHFFFAOYSA-N 304.262 -0.052 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843842989 LVMBGNRZPUQZPU-OUAUKWLOSA-N 316.785 -0.440 50 20 DBGD O=C1NC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](F)Cl)O1 1847849370 XRDAQWKPHCQDJS-XSPKLOCKSA-N 319.720 -0.169 50 20 DBGD COc1ccc(NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)nc1 275546741 LPIHIZURCAPVFE-NSHDSACASA-N 321.381 -0.057 50 20 DBGD NS(=O)(=O)N1CCC(C(=O)NNc2cccc(F)n2)CC1 286400225 HLHWMIFCGHGWRL-UHFFFAOYSA-N 317.346 -0.421 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)c1ccnc2c(C(N)=O)cnn12 494143262 VMJGJLKEWXIFBS-UHFFFAOYSA-N 320.309 -0.002 50 20 DBGD O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(B(O)O)cc1 584932804 YZKFUOZPAOTWBM-AWEZNQCLSA-N 315.138 -0.006 50 20 DBGD CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(B(O)O)c(F)c1 584932899 AKLLWMKCYKREHJ-SECBINFHSA-N 310.134 -0.460 50 20 DBGD CCNC(=O)N1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584963500 ZPVBIAVNHHPKHQ-SNVBAGLBSA-N 323.133 -0.961 50 20 DBGD COCCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCO[C@H]1C 584981355 DVPLRZVTGBQXLN-SMDDNHRTSA-N 307.155 -0.368 50 20 DBGD C=CCN1CC[C@H](N(C)C(=O)c2ccc(B(O)O)cc2)C1=O 584984913 DOXOQZPMJAVYIO-ZDUSSCGKSA-N 302.139 -0.775 50 20 DBGD O=C(NCCC1(O)CCOCC1)c1cc(B(O)O)ccc1F 584988387 MNKYNXNCYYGZNN-UHFFFAOYSA-N 311.118 -0.833 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1=O 585000257 IKINTBRDEUXIJD-GFCCVEGCSA-N 304.155 -0.504 50 20 DBGD O=C(N[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1)C1CC1 585009522 ZSMXABJCHYURKS-ZDUSSCGKSA-N 302.139 -0.893 50 20 DBGD COc1ccc([C@@H](O)CNCc2ccc(B(O)O)o2)cc1OC 585025398 SOYPEAOOHJGYCV-LBPRGKRZSA-N 321.138 -0.200 50 20 DBGD C[C@@H]1CC[C@@H](NCc2ccc(B(O)O)cc2F)CS1(=O)=O 585047252 MCKKJAVLSKAGMN-BXKDBHETSA-N 315.175 -0.439 50 20 DBGD Cn1nccc1S(=O)(=O)NNC(=O)c1cccc(C#N)c1 728854046 GOVSGPRFMLKFKL-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD CCCCOCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 735652736 RHVVIODANQFGPX-VIFPVBQESA-N 307.372 -0.679 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCS(=O)CC2)cc1 744398836 RQQLMJLFLRHPRD-UHFFFAOYSA-N 320.374 -0.616 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(CO)on1 748011433 HHFKEWIWPRRLHH-LBPRGKRZSA-N 319.273 -0.232 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2cnn(C)c2)C(=O)C1 750057217 PUHBKYZQVXEAQF-JTQLQIEISA-N 322.369 -0.985 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[S@](=O)C1 763876880 IMLUWAJYHKYDPE-SBKAZYGRSA-N 303.428 -0.120 50 20 DBGD CCn1c(=O)oc2cc(S(=O)(=O)NNC(=O)NC)ccc21 767449734 IBIUUNGTUIDWIJ-UHFFFAOYSA-N 314.323 -0.263 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1C 772295379 LBCRCEZNFJDILM-ZJUUUORDSA-N 313.354 -0.268 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NCCC(C)(C)O)nc21 776259731 QORCEDLZFRNTQM-UHFFFAOYSA-N 309.330 -0.144 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2ccccn2)c1-n1cnnc1 789943397 XQGGWCQBTPLUJN-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cnn(C)c1C 794346517 JJKUNSFUXLBVLW-UHFFFAOYSA-N 309.370 -0.277 50 20 DBGD CNc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 794622050 VIAYXVKGDOUUIL-SECBINFHSA-N 312.351 -0.681 50 20 DBGD COc1nccnc1NNC(=O)[C@H](c1cncn1C)N(C)C 798177492 IXERUEYBGSGIFC-JTQLQIEISA-N 305.342 -0.035 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN1CCCC1=O 807369043 PTKCMDLIHOBRBF-UHFFFAOYSA-N 301.343 -0.455 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)c1ccc[nH]1 816823665 CACCPYIQANGTEJ-UHFFFAOYSA-N 309.351 -0.727 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826423980 QJWINOAMTNTDAA-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843653223 MSVHDXJWAQWBJA-GHMZBOCLSA-N 310.354 -0.012 50 20 DBGD CC[C@@H]1COCC1=NNC(=O)CSc1nnc(O)nc1O 853285139 POHHWMBNCITRCH-ZCFIWIBFSA-N 313.339 -0.097 50 20 DBGD C[C@H](NC(=S)NNC(=O)Cn1cc([C@@H](C)O)nn1)C1CC1 855097978 CEYISBWRHGPAEV-JGVFFNPUSA-N 312.399 -0.375 50 20 DBGD Cc1nccn1CCCN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858698419 ZQICJJVAKIAQMH-NSHDSACASA-N 322.369 -0.467 50 20 DBGD CC(C)O[C@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858702935 QIMPXSVUTHLRSN-WDEREUQCSA-N 312.370 -0.105 50 20 DBGD C[C@@H]1Cc2cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc2O1 863467117 NUGCYXMASFPSKL-MRVPVSSYSA-N 312.347 -0.184 50 20 DBGD O=C(CCNC(=O)C(F)(F)F)COc1ccc(B(O)O)cc1 865373374 REDGPESFLXBGIZ-UHFFFAOYSA-N 319.044 -0.617 50 20 DBGD CN1CCC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1 896995690 OKNLRYJGBUFDKV-NSHDSACASA-N 306.370 -0.150 50 20 DBGD CC(C)SCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885971 OKHMLUFHUKZBGI-QMMMGPOBSA-N 309.413 -0.355 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)OC[C@H]1CCCO1 921024928 JQRGEGVIMLGCFV-NXEZZACHSA-N 301.343 -0.758 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)NCC(F)(F)F)nc1 1116909647 CJMMSYPBSZPEHN-UHFFFAOYSA-N 305.216 -0.313 50 20 DBGD COc1ccc(C(=O)NNC(=O)NCCN2CCOCC2)cc1 1317915871 TVWOKEPLQONDDG-UHFFFAOYSA-N 322.365 -0.029 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 1318881033 XNWYYSCJHNFTQZ-UHFFFAOYSA-N 320.392 -0.049 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc2c1oc(=O)n2C 1320213238 WFHGJRXNMIHNPJ-UHFFFAOYSA-N 320.305 -0.583 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCO)cnc1Cl 1321152829 YIHPPHBLFQVRAY-UHFFFAOYSA-N 300.702 -0.488 50 20 DBGD Cc1ccncc1/C=C/C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1323729857 PCMADZFFUOAEDG-JDGPPOGSSA-N 323.374 -0.015 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ncc(C(C)C)s1 1324573999 GDGYLBGKVUVXCP-UHFFFAOYSA-N 314.323 -0.475 50 20 DBGD C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CCCCl)C(=O)O 1599900555 XSFXXMWNTLOBMK-BQBZGAKWSA-N 300.764 -0.488 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(C(F)F)c1 1601635851 MKYRCMRKXOLJNV-UHFFFAOYSA-N 301.205 -0.205 50 20 DBGD O=C(O)C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)C1CC1 1601890898 MTPXCEAFEJQQOE-SECBINFHSA-N 309.102 -0.264 50 20 DBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)c1cccnn1)C1CC1 1601891099 HIRDUNWFWRNBSY-VIFPVBQESA-N 307.310 -0.079 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1 1776027257 NHMNKKCJQBUKPH-HOMQSWHASA-N 321.337 -0.107 50 20 DBGD O=C(NNC(=O)c1cnc2n(c1=O)CCS2)c1ccccn1 29483404 ANVRQWBDXDBBSI-UHFFFAOYSA-N 317.330 -0.181 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1c(C)noc1C 49152831 HOBXJRCYAOVETO-UHFFFAOYSA-N 306.344 -0.180 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2nc(-c3ccncc3)no2)C1 81318407 OKHZXQAMMMCBMV-SNVBAGLBSA-N 304.310 -0.095 50 20 DBGD Cc1ccc(Cl)c2c1=NC(=O)C=2NNC(=O)N1CCOCC1 140014387 HYABWJSSTPKFST-UHFFFAOYSA-N 322.752 -0.537 50 20 DBGD CO[C@H]1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 267748286 DEKOSQAUZNWXFK-JTQLQIEISA-N 312.395 -0.138 50 20 DBGD CCc1cccnc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 270871662 MGRNQYSHBMAQHU-JTQLQIEISA-N 311.363 -0.160 50 20 DBGD CN(NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(N)=O 272255151 ZZCSVFAKYVTFPW-CQSZACIVSA-N 319.321 -0.505 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNC(=O)C(C)(C)C)nn1 285228152 CKDHYBSYXNMPKQ-UHFFFAOYSA-N 312.330 -0.559 50 20 DBGD C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cccc(B(O)O)c1 584976004 IFOLEQWUTHBJLC-JTQLQIEISA-N 306.171 -0.258 50 20 DBGD CCO[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)[C@H]1n1cccn1 585043041 KDXXZPHTFFEMBI-YRGRVCCFSA-N 305.143 -0.336 50 20 DBGD CC(=O)NCC(C)(C)c1nc(-c2ccc(B(O)O)cc2)no1 585052016 QWGNYPOIGXFEMG-UHFFFAOYSA-N 303.127 -0.170 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)CC(F)(F)F 727943408 CCIGDWPTJRYPFX-UHFFFAOYSA-N 305.278 -0.296 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC1 729258332 ONDIKNQRFONDNV-LLVKDONJSA-N 319.317 -0.371 50 20 DBGD NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 731450434 RYLKBLZMODXDFB-UHFFFAOYSA-N 301.324 -0.884 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(=O)O)o1 736670076 HXVQQZRJYVVKJW-ZCFIWIBFSA-N 303.296 -0.634 50 20 DBGD CCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 749357081 PUVHJGWBOIFFMQ-VIFPVBQESA-N 308.342 -0.107 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC1COC(C)(C)OC1 758730894 LVCDJLPRBUHLJG-VIFPVBQESA-N 319.358 -0.480 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1nc2ccccc2[nH]1 768514238 CPVUYXPLVGGYMZ-UHFFFAOYSA-N 314.305 -0.054 50 20 DBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNc1cnccn1 775280086 DDQNVQSLBBRPAM-UHFFFAOYSA-N 301.306 -0.016 50 20 DBGD Cc1cccc(-c2nnc(S)n2CC(=O)NNC(=O)CO)c1 777782164 UXXOBQNJCCZBJU-UHFFFAOYSA-N 321.362 -0.318 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779751227 GLFABRWAQFAALR-NXEZZACHSA-N 307.310 -0.740 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3C[C@@]3(CO)C2)cc1 782634480 RNTXYFMSAJDGJH-BBRMVZONSA-N 314.345 -0.367 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)C2(CO)COC2)c1 797876835 PYYVPPJFNJYOKG-UHFFFAOYSA-N 322.317 -0.692 50 20 DBGD CCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)NC 799525080 UIBCSWTTWVCKTF-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD C[C@H](CN1CCCCCC1)C(=O)NN=C1C(=O)NC(=O)NC1=O 814216817 YZZDVZLBDJPIGL-SECBINFHSA-N 323.353 -0.663 50 20 DBGD O=C(NCC1(C(=O)O)CCCC1)NNC(=O)[C@H]1COCCO1 833136683 VCUQGSLGBBCAKD-SECBINFHSA-N 315.326 -0.623 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H](CC(C)C)C(N)=O 840408086 CZSHOSOHJQTFIJ-MRVPVSSYSA-N 306.457 -0.008 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc(-n2cncn2)c1 843645333 MRYBCFKDTVYYFC-ONGXEEELSA-N 316.321 -0.152 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)Cc1ccccc1F 845545333 ILPIIXZPNWSIBT-UHFFFAOYSA-N 312.301 -0.234 50 20 DBGD Cn1c(CC(=O)NNC(=O)N[C@@H]2CCNC2)nc2ccccc21 861706427 WJPLTNOVWOOXML-SNVBAGLBSA-N 316.365 -0.192 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 862456603 ZXSNPDKZZUMFDT-IAQYHMDHSA-N 305.334 -0.026 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)[C@@H]2CCCC[C@H]2N1 862466014 BGTYSNSHXKCECM-GARJFASQSA-N 305.338 -0.134 50 20 DBGD N#C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCN1C1CC1 863889898 HCPPCBNYHUSPIZ-GFCCVEGCSA-N 317.129 -0.682 50 20 DBGD O=C(CN1CCCCS1(=O)=O)NNC(=O)C1CCCC1 878207731 WRVOOYABSATFJX-UHFFFAOYSA-N 303.384 -0.250 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1F 916597293 RWUWODLTKVHDCM-UHFFFAOYSA-N 324.312 -0.057 50 20 DBGD Cc1ncccc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1118202894 HOSWFGVCWYVYGC-ZJUUUORDSA-N 306.322 -0.099 50 20 DBGD COc1ccc(NNC(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1 1118810150 DWRNEYGXXRDJKA-MRVPVSSYSA-N 308.298 -0.974 50 20 DBGD O=C1OCc2c1cccc2S(=O)(=O)N1CC[C@H](B(O)O)C1 1118916818 WQWIWCMEKHKOMZ-QMMMGPOBSA-N 311.124 -0.406 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1 1323927709 UFPIHUXWFDAOFZ-UHFFFAOYSA-N 323.305 -0.266 50 20 DBGD Cc1ncsc1CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1328718473 LQCLWDRMIQYSPF-MRVPVSSYSA-N 311.367 -0.097 50 20 DBGD CCCn1nccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1330709443 KVVZSBKVPKDQPB-VIFPVBQESA-N 314.367 -0.511 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OCC#N)cc1 1342601586 OKFUEGSNPSUFKC-UHFFFAOYSA-N 306.278 -0.679 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)OCC(F)(F)F 1347866836 UHSDULBVNIITJH-RXMQYKEDSA-N 304.246 -0.259 50 20 DBGD Cn1cc(C(=O)NNC(=O)CC[C@H]2CCCNC2)ccc1=O 1579953022 DJLCLMHUCWGGEM-LLVKDONJSA-N 306.366 -0.074 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCC1)[C@H]1CCc2nncn2C1 1594778979 GWOOJRKZAPBCNM-QMMMGPOBSA-N 307.310 -0.757 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNC(=O)C2CCOCC2)c1=O 1595157073 XQJYTLNUZRQDSV-UHFFFAOYSA-N 323.305 -0.880 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@](COC)(C(=O)O)C1 1603486270 ITYBGZRDRAQELC-RNCFNFMXSA-N 301.343 -0.645 50 20 DBGD COc1ccc(NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)nc1 1604821268 VCSJVIOOOQUIIK-SNVBAGLBSA-N 322.321 -0.144 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 49152343 WXQWRYQGGOGYBP-UHFFFAOYSA-N 300.340 -0.394 50 20 DBGD COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)CN(C)C)CO2 265099624 WPCNHHUYXZMNQP-LLVKDONJSA-N 307.350 -0.045 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1cc(Cl)ccn1 275788087 JIARSJPCXGSTHT-UHFFFAOYSA-N 307.763 -0.090 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 496762953 HZXXSRXCVJHJHW-IMTBSYHQSA-N 308.250 -0.147 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](N2CCCC2=O)C1 584980962 PHZKHDJCBIWJBT-ZDUSSCGKSA-N 302.139 -0.797 50 20 DBGD O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1cccc(B(O)O)c1 584986169 VJEQWPFMDPPQGA-LLVKDONJSA-N 315.138 0.236 50 20 DBGD O=C(NCB(O)O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 585063226 UIPBGRSCCHOPTQ-UHFFFAOYSA-N 308.034 -0.339 50 20 DBGD Cc1nonc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 733884685 HEABOVWPLHTYSA-SNVBAGLBSA-N 304.262 -0.021 50 20 DBGD CN(C)C(=O)NNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 769152351 DNOSQZVHDGTPNX-AWEZNQCLSA-N 319.321 -0.343 50 20 DBGD CCOc1ncccc1C(=O)NNC(=O)CN1CCCC1=O 789856285 DTAVRSWRTZAVPZ-UHFFFAOYSA-N 306.322 -0.136 50 20 DBGD C[C@@]1(NNC(=O)NCCCOC(F)F)CCS(=O)(=O)C1 802442755 ZWIOYPMOABKKRO-SNVBAGLBSA-N 315.342 -0.003 50 20 DBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 812453686 QHNKXUMRNRBGCA-AEJSXWLSSA-N 306.384 -0.513 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NN(CC)CCO)c1 823837385 AWYHLFYZZGADPA-UHFFFAOYSA-N 315.395 -0.056 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NN(C)[C@@H](C)CO)C2=O 823987677 KWMBAZIDQIMSBS-JTQLQIEISA-N 305.334 -0.065 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)c1 825923182 RZQHMVLTBKIMMK-VHSXEESVSA-N 306.278 -0.478 50 20 DBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1=O 826063239 ZBSQVKIZJHSLOG-DCAQKATOSA-N 312.370 -0.249 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 826946458 OCXGYFSVAXVNGD-FIQHERPVSA-N 324.381 -0.105 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)Cc2cccnc2)n1 847440020 UTMRHAHFOFRBHZ-UHFFFAOYSA-N 316.365 -0.157 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNC(=O)Nc1ccccc1 854376519 AUUFTGURDLPFAA-UHFFFAOYSA-N 315.355 -0.765 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C/c1ccc(C(N)=O)o1 855007351 UZLVMHNBYMSGJR-SFQDRPESSA-N 307.306 -0.036 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2cc[nH]n2)c(=O)cc1C 855355861 IODRYNFFWDGNCJ-UHFFFAOYSA-N 319.321 -0.399 50 20 DBGD Cn1nncc1C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855832574 GOMORJYWDCZLHK-UHFFFAOYSA-N 310.358 -0.481 50 20 DBGD Cn1nncc1NNC(=O)CCNC(=O)OCC(F)(F)F 857271449 MTRVFUWHFRHCTI-UHFFFAOYSA-N 310.236 -0.063 50 20 DBGD COCc1cccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858151548 JHMFTGIZRAPEDV-GFCCVEGCSA-N 320.349 -0.058 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 861946085 KBVFYOKPXMSNER-SNVBAGLBSA-N 304.306 -0.640 50 20 DBGD COc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 863413485 RIUAQQQJSUDKNY-SNVBAGLBSA-N 313.335 -0.717 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc2c(c1)CCC2 863459030 JNCZXBBZEQUYJV-UHFFFAOYSA-N 310.375 -0.090 50 20 DBGD COCCOCC(=O)NNC(=O)C1CCN(CC(F)F)CC1 869905863 PVFQLEGWACIHCE-UHFFFAOYSA-N 323.340 -0.226 50 20 DBGD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCl 881755340 AKJDPLDNANXKCI-MRVPVSSYSA-N 312.775 -0.691 50 20 DBGD COc1ccnc(NNC(=O)[C@]23CCC(=O)N2CCS3)n1 914762495 HPEYVFKYIAIARU-GFCCVEGCSA-N 309.351 -0.006 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)NC(=O)c1ccccc1 915598926 NXCUCQQDWGISMB-SNVBAGLBSA-N 320.349 -0.523 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)Cc1cccnc1 1115987767 BCXZQBFMGKEPRS-UHFFFAOYSA-N 316.408 -0.836 50 20 DBGD O=C(NNS(=O)(=O)c1cncc(F)c1)C1CCOCC1 1262030579 OJBOVJSOMWFZQD-UHFFFAOYSA-N 303.315 -0.043 50 20 DBGD CCOCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1319610771 YWIXXZWFLPDNQC-SNVBAGLBSA-N 324.337 -0.391 50 20 DBGD Cn1nnc2cc(C(=O)NNc3ncnc4[nH]cnc34)cnc21 1320141065 HWYABCZHUGDLJE-UHFFFAOYSA-N 310.281 -0.214 50 20 DBGD COC1(C=NNC(=O)[C@H](C)NS(C)(=O)=O)CCOCC1 1321953217 AOHWJTMHKYPRKR-VIFPVBQESA-N 307.372 -0.778 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn(C(F)F)c1 1324004953 RVRPLJBOCXVQLG-UHFFFAOYSA-N 305.241 -0.599 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2nccnc2N)cc1 1327114193 RRALQSCVORKDPW-UHFFFAOYSA-N 314.305 -0.233 50 20 DBGD CN(CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CC1 1329175242 OVCHWUULHVQMMR-LLVKDONJSA-N 311.386 -0.530 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2ncsc2c1 1337979889 AWQWUUIZMQUHSB-UHFFFAOYSA-N 308.319 -0.235 50 20 DBGD CN(CC(=O)NNC(=O)CS(C)(=O)=O)Cc1ccccc1 1348436399 MUFWIZWSQJHZIH-UHFFFAOYSA-N 313.379 -0.690 50 20 DBGD NCCCC(=O)NNC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12 1580289088 LAQANCKLGLAYNM-MEBBXXQBSA-N 302.334 -0.217 50 20 DBGD O=C(O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CBr 1601756730 UXDWCYXXWFPYAK-WDSKDSINSA-N 302.146 -0.422 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1606603978 RCERHZIKAHYGDZ-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD Nc1c(NC(=O)c2ccc(B(O)O)cc2)cccc1C(=O)O 1608271051 ZDOMSUFYXJMJAA-UHFFFAOYSA-N 300.079 -0.101 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1 1609482099 IDSYAOKOFHTQNP-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD COc1cccc2c1OC[C@H](NC(=O)NNC(=O)C(=O)O)C2 1610363586 GAVQFELBVCZIPJ-MRVPVSSYSA-N 309.278 -0.586 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 32081646 RSTZKDVRGOQQMV-UHFFFAOYSA-N 303.296 -0.657 50 20 DBGD C/C(=C/C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 48953029 HRDYIBYPBYSMPE-ZEBCKKTISA-N 301.368 -0.140 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)c1cc(-c2ccccc2)on1 136088347 FTSXHXJSNNINJG-UHFFFAOYSA-N 313.277 -0.211 50 20 DBGD COC[C@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCO1 266680009 CMPWOSQHEVCILW-GFCCVEGCSA-N 308.338 -0.288 50 20 DBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NN)c1 270202461 GQILLSYYMIOYSQ-UHFFFAOYSA-N 307.759 -0.132 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)C1CN(C(C)=O)C1 276441414 LJFYFTURJAZQFW-UHFFFAOYSA-N 305.334 -0.137 50 20 DBGD C[C@H](CC(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 283128259 ZKPGLAZBWWWCDA-MRVPVSSYSA-N 307.306 -0.270 50 20 DBGD CN(C)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 299371906 LDAHLWAOYZOOSM-MPKXCIJOSA-N 306.322 -0.904 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)n1 367160626 RPPGBOQMBULSAM-ZDUSSCGKSA-N 320.397 -0.963 50 20 DBGD COC(=O)NCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494638623 ARKJVRIMUMFAPU-UHFFFAOYSA-N 304.303 -0.986 50 20 DBGD CN(Cc1nnc2n1CCC2)C(=O)c1ccc(B(O)O)cc1 584927403 QSIOGXRLNXZXFC-UHFFFAOYSA-N 300.127 -0.824 50 20 DBGD O=C(NCCc1cn2c(n1)CCCC2)c1ccc(B(O)O)cc1 584928379 QNHZIMSLHMGQHU-UHFFFAOYSA-N 313.166 -0.128 50 20 DBGD COC[C@H](C)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584947358 MWVHOSCGIMDIRS-LBPRGKRZSA-N 306.171 -0.841 50 20 DBGD CCN1CCN(CCCCNCc2ccc(B(O)O)cc2)CC1 585015942 OGMMFKXIIVGEGV-UHFFFAOYSA-N 319.258 -0.126 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 745848032 KBVAMZAGKGPATF-OAQYLSRUSA-N 314.323 -0.083 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)Cc3ccncc3)nn12 747323716 LEJQRCQTMIYJHH-UHFFFAOYSA-N 311.305 -0.169 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)COc1ccccc1O 747384014 PXQYJLDVXKQNNQ-VIFPVBQESA-N 322.321 -0.539 50 20 DBGD O=C(CN1CCC(O[C@H]2CCOC2)CC1)NNC(=O)C1CC1 748833232 RKTVLKHMWGBMDL-ZDUSSCGKSA-N 311.382 -0.186 50 20 DBGD CC(=O)NNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F 752268454 OKORWGCZUVXABU-UHFFFAOYSA-N 309.706 -0.093 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=Cc1ccc(O)cn1 755618311 JYXUBMLAMZMZQH-UHFFFAOYSA-N 322.306 -0.374 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccn(CCN(C)C)n1 756764004 CNRHIXGYDRESPJ-UHFFFAOYSA-N 320.357 -0.057 50 20 DBGD CS[C@@H](C)CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758025734 NNVVUTCENNPJBJ-JGVFFNPUSA-N 311.429 -0.397 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc(-n2ccnn2)c1 763561314 DTMHLAFDMSVZMC-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCO2 764302339 CCSAUPAOVRUTCF-UHFFFAOYSA-N 309.278 -0.810 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(N2CCCC2)c1 764421461 JVQFSIBUGFOIPW-UHFFFAOYSA-N 306.322 -0.635 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1F 768260923 NTTGNFJBUFCKJA-UHFFFAOYSA-N 315.276 -0.387 50 20 DBGD N#Cc1ncn(CC(=O)NNC(=O)COCc2ccccc2)n1 769226454 UZELXIOMNGYJOU-UHFFFAOYSA-N 314.305 -0.486 50 20 DBGD O=S(=O)(CBr)NCc1nnnn1CC1CC1 770275028 JGXUYOBITVJAAK-UHFFFAOYSA-N 310.177 -0.145 50 20 DBGD COc1ccc(NNC(=O)Cn2ncn(C)c2=O)c([N+](=O)[O-])c1 778910808 OMNWUMGLLOMYGM-UHFFFAOYSA-N 322.281 -0.358 50 20 DBGD CN1CCN(C(=O)NNC(=O)COC[C@@H]2CCCO2)CC1 788169600 RNDQAPPOWKRAQA-NSHDSACASA-N 300.359 -0.830 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1cccc(F)n1 805097055 IVJBWKWNVWHKII-UHFFFAOYSA-N 305.335 -0.214 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)n1 809986322 CECOABXQEUCJOE-UHFFFAOYSA-N 303.278 -0.339 50 20 DBGD Nc1ncc2c(n1)CCCC2=NNC(=O)CN1CCCC1=O 814761170 PZTLQCFPMKNDGD-UHFFFAOYSA-N 302.338 -0.162 50 20 DBGD CCCNC(=O)NNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 823950713 KCHLPUHHHMHBDG-SSDOTTSWSA-N 306.330 -0.290 50 20 DBGD CC(C)[C@@H](CNC(=O)NNC(=O)[C@H]1COCCO1)C(=O)O 848589683 HSWJRPXNIVOMGF-RKDXNWHRSA-N 303.315 -0.911 50 20 DBGD CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)c1cn[nH]c1 858485024 IIHCRWGSBOTOHT-VIFPVBQESA-N 310.358 -0.094 50 20 DBGD CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862452525 YADYACCUMQRNAX-SNVBAGLBSA-N 306.322 -0.092 50 20 DBGD COC(=O)c1ccccc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457520 LBZWKYYHDSQFEF-NSHDSACASA-N 319.317 -0.558 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1O 862463146 YVKPUWFRAMATSM-SNVBAGLBSA-N 305.290 -0.366 50 20 DBGD COC(=O)[C@]1(F)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 863874952 GKFKGXCJHJLWGY-ZDUSSCGKSA-N 313.065 -0.767 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)s1 1115935963 OWFXCTMPNWKHJF-UHFFFAOYSA-N 310.335 -0.770 50 20 DBGD NC(=O)Cn1cc(C(=O)NNc2cc(F)c(F)cc2F)nn1 1116383530 VNABPYUZTHCKAM-UHFFFAOYSA-N 314.227 -0.062 50 20 DBGD CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1118943474 ODDWTNTVCCCFFI-LLVKDONJSA-N 304.306 -0.315 50 20 DBGD COC(=O)C(C)(C)n1cc(NC(=O)NNC(=O)CCO)cn1 1328745194 ZRJHMKSKDLAMIK-UHFFFAOYSA-N 313.314 -0.674 50 20 DBGD CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 1347343070 DBSCFMACJHMXMQ-LBPRGKRZSA-N 304.155 -0.693 50 20 DBGD NC(=O)N1CCC(=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 1549315080 APQIYWVWQOACAY-NWDGAFQWSA-N 309.370 -0.504 50 20 DBGD C[C@@]1(C(=O)NNC(=O)COc2ccccc2O)C[C@@H](O)CN1 1573600611 HUUYPTNESWGLMH-OTYXRUKQSA-N 309.322 -0.969 50 20 DBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2)c1C 1574165181 FGMYXEYAZBODMR-XQQFMLRXSA-N 321.377 -0.059 50 20 DBGD O=C(NNC(=O)[C@]1(F)CCNC1)c1nnc(O)c2ccccc12 1574333625 FPSAQASHEVLUEW-AWEZNQCLSA-N 319.296 -0.202 50 20 DBGD CSSCCNC(=O)N[C@H]1CC(=O)N(C2CNC2)C1 1579385138 VFUZXCXZQZOFFG-QMMMGPOBSA-N 304.441 -0.131 50 20 DBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)c1cn(C)nn1 1599957247 JWUMSJQOQAZJOO-UHFFFAOYSA-N 306.282 -0.467 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)CNC(=O)OC(C)(C)C 1604178580 IXQQWCBOABSKIR-SSDOTTSWSA-N 318.330 -0.438 50 20 DBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1792783634 ZSOSRXZWKQCJEE-PEGIJTEDSA-N 317.817 -0.200 50 20 DBGD CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841667641 DUQFLIPBZRSDKU-MNOVXSKESA-N 316.833 -0.117 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OCCOC)cc1 48961958 AWEUSOLEKUHOCO-UHFFFAOYSA-N 303.340 -0.166 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 54277799 ZSAANPHQFQSEOH-UHFFFAOYSA-N 310.306 -0.118 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])nc2C)[nH]n1 152984146 KSSXAKBGSKSIEB-UHFFFAOYSA-N 307.270 -0.408 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1ccc(C)nn1 264382542 LWHDCJFCYHEDGT-UHFFFAOYSA-N 302.360 -0.650 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)NCC(=O)NC1CC1 265819409 RKRGCANHRPYSFN-UHFFFAOYSA-N 320.349 -0.188 50 20 DBGD COC(=O)[C@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 272138851 WFUBDTVLBXKMPD-GFCCVEGCSA-N 321.333 -0.679 50 20 DBGD COC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccccc1 274174409 BUHYVDOQFWXPLW-UHFFFAOYSA-N 301.324 -0.306 50 20 DBGD C#CCO[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1 294460709 HIOWHOZXMYGLID-VIFPVBQESA-N 309.347 -0.336 50 20 DBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(B(O)O)c(F)c1 584957728 LOAKOQRRIYVCHM-MWLCHTKSSA-N 311.118 -0.571 50 20 DBGD O=S1(=O)CCC[C@H](CNCc2ccc(B(O)O)cc2F)C1 585040283 IACPSQRZJJBOCL-SNVBAGLBSA-N 315.175 -0.580 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(C#N)c2)c(O)nc1=O 728825130 HVVBNKYMNITGKU-UHFFFAOYSA-N 313.273 -0.568 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N(C)C 732062107 QACOQSGFSUEXPX-UWVGGRQHSA-N 320.415 -0.910 50 20 DBGD COCCN1C[C@@H](C(=O)NNc2ccnc(N(C)C)n2)CC1=O 740103466 QQIGCKLCEBPTJF-JTQLQIEISA-N 322.369 -0.519 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)Cc1cn2ccccc2n1 746545016 GMXVXHRUGRDTNM-UHFFFAOYSA-N 324.362 -0.541 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)Cc1cn2ccccc2n1 746549889 IPINCYCBWGLGNX-UHFFFAOYSA-N 317.349 -0.061 50 20 DBGD Cn1c(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1[N+](=O)[O-] 748247054 JAHFRTNMOFPSBG-UHFFFAOYSA-N 309.282 -0.683 50 20 DBGD C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)C(=O)N1CCCC1 749621350 SFLZBMAIBUOTAV-NSHDSACASA-N 319.365 -0.035 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2ccccn12 755699362 QIIKAFCWIFKRFB-SECBINFHSA-N 309.351 -0.278 50 20 DBGD Cc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 765269675 HXCHNOAQYUXRRS-VIFPVBQESA-N 312.351 -0.023 50 20 DBGD C#CCN1CCC(C(=O)O[C@@H](C)C(=O)NNC(=O)CC)CC1 772114080 USOKXIHSYONLBN-NSHDSACASA-N 309.366 -0.179 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC[C@@H]1CO 784242629 FNUCBFVRALNIGS-MNOVXSKESA-N 303.428 -0.022 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCO[C@@H]2C[C@H]21 814294877 OVPZEZSQJMFWQW-RKDXNWHRSA-N 324.362 -0.308 50 20 DBGD COc1ccc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)nc1 823905602 IRBRLPRGPXYINN-SECBINFHSA-N 307.310 -0.136 50 20 DBGD CC(C)N1C[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)CC1=O 836349011 JPBMEMVNNUYEPW-GHMZBOCLSA-N 312.370 -0.105 50 20 DBGD C[C@H]1CCNC(=O)[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1 839592445 JWRUHHVTAWHDSY-ZANVPECISA-N 322.340 -0.299 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840673646 WXBUIMQVEREAJE-IWSPIJDZSA-N 301.299 -0.223 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(-c2cccnc2)nn1 843657602 DEGZAXIXVCRUPC-KOLCDFICSA-N 316.321 -0.152 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)[C@H]1CCS(=O)(=O)N1 845467813 ISIJKLIOUXKQJK-SNVBAGLBSA-N 315.326 -0.793 50 20 DBGD Cc1cc(NNC(=O)c2nc(N)nc(N(C)C)n2)nc(C)n1 846635435 NPANQTDNVUZEBP-UHFFFAOYSA-N 303.330 -0.316 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc2nonc12 847503001 FCTNUSSWBLBNJU-UHFFFAOYSA-N 307.266 -0.655 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)OCC(F)(F)F 856021905 MKBZKPBRRPDWNJ-UHFFFAOYSA-N 301.221 -0.589 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCOC3(CCC3)C2)N1 858514032 NNUXLCPLXCRNEM-QWRGUYRKSA-N 324.381 -0.055 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H](CO)c2cccc(F)c2)N1 858695584 FWHHQNHBJHMNLS-QWRGUYRKSA-N 324.312 -0.532 50 20 DBGD O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)[C@@H]1CCC(=O)N1 862458106 XLLRMZULJPIUMC-WDEREUQCSA-N 309.297 -0.325 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2COCCN2C2CCCC2)N1 862458309 CCLFFIXQFVXRGS-NWDGAFQWSA-N 324.381 -0.944 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)sc1C 863414344 ZSGXQGPOMKPZOE-MRVPVSSYSA-N 317.392 -0.047 50 20 DBGD COC(=O)[C@@H](C)CN(C(=O)c1cccc(B(O)O)c1)C1CC1 863871955 HUNIEXDTQSYLDN-JTQLQIEISA-N 305.139 -0.220 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1cscn1 1116589882 AGDVQLRZSRJSLD-SSDOTTSWSA-N 320.396 -0.839 50 20 DBGD Cc1nn2c(C=NNC(=O)CS(C)(=O)=O)c(C)nc2s1 1118953881 UPOOQKMQTWRXIO-UHFFFAOYSA-N 315.380 -0.098 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1261461089 YONQEFQXFCAQAT-XVKPBYJWSA-N 310.285 -0.268 50 20 DBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)Cc1cc[nH]n1 1318332732 AYTMVKPHDLKGMT-SSDOTTSWSA-N 309.355 -0.591 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@]3(O)CCSC3)nc21 1319736988 NMOGLOKCNCTWHP-NSHDSACASA-N 310.339 -0.620 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc2c(c1)OCCCO2 1320358285 ORTSLAWTUPBRPC-UHFFFAOYSA-N 323.305 -0.684 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cn1 1321873611 WPPLJEHQFWPVMJ-UHFFFAOYSA-N 300.340 -0.776 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)c1cccc(C#N)c1 1324673885 OCOPVSDVDVLIKG-UHFFFAOYSA-N 314.305 -0.335 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](C(N)=O)c1ccccn1 1326299605 RMEVFBZZYZFNHE-ATZCPNFKSA-N 321.337 -0.637 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ncoc2-c2ccon2)N1 1330515886 HLEYSJLEHQLCSZ-SSDOTTSWSA-N 305.250 -0.631 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1ccnnc1 1331643932 YOUJAHLOBJQKSN-QMMMGPOBSA-N 312.355 -0.972 50 20 DBGD Cn1ncc2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)cnc21 1331896725 RJIGWBQKDQZDGY-VIFPVBQESA-N 310.144 -0.794 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)Cc1ccncc1 1339862940 PQFVZQVIKAKSFH-UHFFFAOYSA-N 307.354 -0.273 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cnn(CC(F)(F)F)c1 1340494200 IPZCIPWZSXEPHK-UHFFFAOYSA-N 323.231 -0.551 50 20 DBGD CN1N=C(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCC1=O 1591198626 HFJGKBJBQQNALC-UHFFFAOYSA-N 315.297 -0.687 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccn(C(C)(C)C(=O)O)n1 1593691831 AYCYMRUFHSURDS-UHFFFAOYSA-N 312.330 -0.583 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1cccc(C(=O)O)c1 1598266882 IJVFCJAABGEPHC-UHFFFAOYSA-N 316.339 -0.776 50 20 DBGD CN1CCN(CC(=O)NNc2cccc(C(=O)O)c2)CC1=O 1598615012 DMBJAJPORUISJZ-UHFFFAOYSA-N 306.322 -0.398 50 20 DBGD O=C(O)[C@H]1CSCCN(C(=O)c2cccc(B(O)O)c2)C1 1601857033 XLHYQPQALMMSJU-SNVBAGLBSA-N 309.152 -0.744 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccsc1C(=O)O 1606018357 YCJSALPRCVLAQC-UHFFFAOYSA-N 314.323 -0.906 50 20 DBGD Cn1nccc1[C@H](NCC(=O)NNC(=O)C(C)(C)C)C(=O)O 1608163549 SRYVVGSTJDUSQU-JTQLQIEISA-N 311.342 -0.671 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)c(OC)c1 8390033 DXHAZYRXJKWIJP-UHFFFAOYSA-N 309.322 -0.011 50 20 DBGD C#Cc1cccc(NC(=S)NNC(=O)Cn2cnnn2)c1 176692735 WBCOZRVREKCDNP-UHFFFAOYSA-N 301.335 -0.328 50 20 DBGD O=C(CNC(=O)c1ccccc1)NNC(=O)N1CCOCC1 299442678 SZEACSQCNWXYFK-UHFFFAOYSA-N 306.322 -0.511 50 20 DBGD COCCCN(CCOC)C(=O)c1ccc(B(O)O)c(F)c1 584932997 UNXZSJXRYODCDT-UHFFFAOYSA-N 313.134 -0.369 50 20 DBGD NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584936178 GVMJWRJUGSMAKO-SNVBAGLBSA-N 308.118 -0.624 50 20 DBGD CN1CCC(C#N)(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584941662 NAOIPBNINQFUKL-UHFFFAOYSA-N 305.118 -0.777 50 20 DBGD CCn1cc(CN(C)C(=O)c2cc(B(O)O)ccc2F)cn1 584947527 STWQXXIBJUIDDH-UHFFFAOYSA-N 305.118 -0.006 50 20 DBGD Cc1cc(C[C@@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)n[nH]1 584964506 IVTLGPICXNCFHR-MRVPVSSYSA-N 305.118 -0.102 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 584965942 WHCZZLADPSRJHL-MNOVXSKESA-N 317.072 -0.106 50 20 DBGD Cn1cccc1C(=O)NCCNCc1ccc(B(O)O)cc1 585014809 FFSPFWIPQZKYPK-UHFFFAOYSA-N 301.155 -0.776 50 20 DBGD CCC(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726435416 GXLWTIYSCQBRFS-UHFFFAOYSA-N 316.408 -0.261 50 20 DBGD COc1ccnc(NNC(=O)NCCN2CCOC[C@H]2C)n1 729614207 JRCHRKVVLYPRFR-SNVBAGLBSA-N 310.358 -0.168 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)CN1CCC(=O)NC1=O 732263232 LZLPDLSRHHZXMG-UHFFFAOYSA-N 319.321 -0.812 50 20 DBGD O=C(COc1ccccc1O)NNS(=O)(=O)c1cnc[nH]1 736632277 MMCDKTMOFGWUGI-UHFFFAOYSA-N 312.307 -0.496 50 20 DBGD CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)c1cnn(C)c1 743453778 LUIZCGBDHJOYDR-ZDUSSCGKSA-N 323.397 -0.026 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(N)=O)cc1 748611742 BWADOFWKGOGARN-VIFPVBQESA-N 324.337 -0.010 50 20 DBGD O=C(CCNC(=O)C1CCCCC1)NNC(=O)C(=O)NC1CC1 751303637 SKWWXDNYUFFLGN-UHFFFAOYSA-N 324.381 -0.501 50 20 DBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CO)o1 753443036 RINJZYPOCCUEGO-UHFFFAOYSA-N 319.339 -0.890 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)COc2ccccc2O)CCN1 760551699 PHUOKAOHUSHSID-SECBINFHSA-N 307.306 -0.555 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)OC)c1 763441505 VNVWTVRIQUFLHT-UHFFFAOYSA-N 307.306 -0.102 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](O)C[C@H]2CO)c1 764981498 PMZGJECPYBCZJH-STQMWFEESA-N 307.350 -0.816 50 20 DBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)NC)c1C 768500416 VNAQODUDOFZXBV-UHFFFAOYSA-N 318.355 -0.069 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)NCCc2cccs2)c1=O 778648971 GJHRLTVYDGRRSY-UHFFFAOYSA-N 324.366 -0.784 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CC(=O)NCC(F)(F)F 779645920 QMNGNFVBYXMGRH-UHFFFAOYSA-N 306.244 -0.145 50 20 DBGD O=C1CN(CCCNS(=O)(=O)CCCCCl)CCN1 780826343 AWXVHSDDLMVCFX-UHFFFAOYSA-N 311.835 -0.253 50 20 DBGD NC(=O)CCCC(=O)NNC(=O)Cc1cn2ccccc2n1 787410526 KRABHMOAIUDJEK-UHFFFAOYSA-N 303.322 -0.320 50 20 DBGD Cn1nncc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 798347434 AUUYLIHFCVTWLR-NSHDSACASA-N 303.278 -0.584 50 20 DBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)C(=O)NC(C)C 805163820 WGBYHZJNDVTGMS-UHFFFAOYSA-N 301.343 -0.362 50 20 DBGD O=C(Cn1c(=O)nc(O)c2ccccc21)NNc1nc[nH]n1 816634673 POQQOJLMCHEYLF-UHFFFAOYSA-N 301.266 -0.637 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O 826131234 ODEVUBWZHZQMAP-BDAKNGLRSA-N 321.399 -0.435 50 20 DBGD Cn1cc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)nn1 826361327 TVAHJEMADILQKR-UHFFFAOYSA-N 314.313 -0.179 50 20 DBGD CO[C@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCOC1 852255720 HCCGPVICWHOXLV-ZDUSSCGKSA-N 312.301 -0.030 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccc(Cl)cn1 856092583 ZTMWQYNLDQEJDU-UHFFFAOYSA-N 307.763 -0.426 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=S)NC[C@H]2CCCCO2)N1 863203292 CZYKGKHVGSPUGA-RKDXNWHRSA-N 300.384 -0.671 50 20 DBGD COCCOCC(=O)NNC(=O)c1csc(COC)n1 869909210 MXQFONDKPIDMJS-UHFFFAOYSA-N 303.340 -0.287 50 20 DBGD CC[C@H](C(=O)NNC(=O)CN1CCNC(=O)C1)c1ccccc1 900655918 NHQVJHUFYZRZFT-ZDUSSCGKSA-N 318.377 -0.241 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)NCC2CC2)CCOCC1 1261234328 DKDAMQBKSFJKIB-UHFFFAOYSA-N 319.383 -0.679 50 20 DBGD O=C(Cn1ncn2nccc2c1=O)NN=c1cc[nH]cc1Cl 1319079717 XNJLEEVKMZHVIH-UHFFFAOYSA-N 319.712 -0.495 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc2c(cc1O)OCO2 1319714658 CNPSOKMKTVBCDJ-UHFFFAOYSA-N 309.278 -0.594 50 20 DBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1F 1321154280 PWBMLPXLGJQDJB-UHFFFAOYSA-N 322.296 -0.189 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 1329976583 IUXSVQKPGUACTG-SNVBAGLBSA-N 310.354 -0.665 50 20 DBGD O=C(NNC(=O)C1CCN(CC(F)F)CC1)C(=O)NC1CC1 1344500316 MKASOJBKGZJYNH-UHFFFAOYSA-N 318.324 -0.611 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cccnc1F 1349154651 WZXJBYVWQHWCRA-YUMQZZPRSA-N 310.285 -0.268 50 20 DBGD CCO[C@@H]1C[C@](N)(C(=O)NNC(=O)COCCOC)C1(C)C 1578090268 HCGXAISFLUZGGW-YGRLFVJLSA-N 317.386 -0.671 50 20 DBGD N#C[C@@H]1CNCC12CC(C(=O)NNC(=O)[C@H]1CCCCO1)C2 1580042880 DAFPIMOTRNGEEL-HFXYEQLZSA-N 306.366 -0.158 50 20 DBGD NCCCCCC(=O)NNC(=O)CNC(=O)c1ccncc1 1580292614 GLGWPUTVRGIBNR-UHFFFAOYSA-N 307.354 -0.522 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1F)c1cn[nH]c1 1593158480 QOVQUWAZEYYLTN-UHFFFAOYSA-N 316.256 -0.196 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 1601555705 MHNBKFCXFHZKDL-KDDQHCCQSA-N 307.310 -0.147 50 20 DBGD CCc1ccccc1OCC(=O)NNC(=O)COCC(=O)O 1603976523 LFGNMSQGIOVHQE-UHFFFAOYSA-N 310.306 -0.124 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1604618481 XMADRNKHIWQKKO-VHSXEESVSA-N 318.326 -0.933 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCCOCC(=O)O 1607336347 HJUNXGYNHAQRSK-UHFFFAOYSA-N 311.294 -0.260 50 20 DBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793447794 ZTNFQRDKWCPJHQ-LSCVPOLPSA-N 317.817 -0.058 50 20 DBGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CN)C2 1846176719 YURCPPWEACPUAM-MRVPVSSYSA-N 304.188 -0.068 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc[n+]([O-])cc1 49949931 GUZMEGMIQVNPGF-ZDUSSCGKSA-N 315.285 -0.079 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccnn2C)C[C@H](C)O1 111545219 OITYVYDOKYETFL-QWRGUYRKSA-N 309.370 -0.320 50 20 DBGD CC(=O)CSCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 496664910 WDBFRTQILAEAFJ-UHFFFAOYSA-N 319.383 -0.019 50 20 DBGD C[C@@H](CN1CCCC1=O)NC(=O)c1cc(B(O)O)ccc1F 584935197 BGKVOJVUIMWJQC-VIFPVBQESA-N 308.118 -0.754 50 20 DBGD NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584960025 HIWNTKZNRIXFSZ-CABZTGNLSA-N 308.118 -0.721 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](n2ccnn2)C1 585000481 KTVXLQMWEOOXTL-ZDUSSCGKSA-N 300.127 -0.565 50 20 DBGD CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(B(O)O)cc2)C1 585027586 BRHPYMXVKJIZRN-UONOGXRCSA-N 311.212 -0.188 50 20 DBGD COc1ccc([C@H]2[C@@H](C(=O)NCB(O)O)CC(=O)N2C)cc1 585059448 OCQSWPNDYSEOAD-AAEUAGOBSA-N 306.127 -0.657 50 20 DBGD Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCB(O)O)c1 585063204 UATAUVUAXQVQPW-UHFFFAOYSA-N 318.098 -0.110 50 20 DBGD Cn1c(O)nc2cc(C(=O)NNC(=O)N3CCOCC3)ccc21 745996461 YOFANEWLDADQOP-UHFFFAOYSA-N 319.321 -0.035 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCCN1CCCC1 748617039 VNHWJSGTDVURJQ-GFCCVEGCSA-N 316.402 -0.146 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCN(C)C1CC1 748633323 SSMDHJVSWNRJEN-SNVBAGLBSA-N 302.375 -0.538 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccnc(-n2ccnc2)c1 755270896 XEFAXGWZOHHLCY-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CC(C)(CO)CO 759169423 WQXANMQPTWBYCA-NSHDSACASA-N 303.403 -0.509 50 20 DBGD COC(=O)CNC(=O)NNC(=S)NCC1CCN(C)CC1 760500651 HDJJDCPSPOELQB-UHFFFAOYSA-N 317.415 -0.821 50 20 DBGD Cc1nc(CC(C)C)c(NC(=O)C(=O)NNC(=O)CO)s1 764428265 DRYLCSUPFCRYNB-UHFFFAOYSA-N 314.367 -0.272 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCN(C)C1=O 772512173 ZHWREGNYNPBVJC-ZJUUUORDSA-N 313.354 -0.410 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(C)=O)ccc1OC 775249253 IWDANWZZAOHUEG-UHFFFAOYSA-N 302.308 -0.189 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cnn(C)c1C 793380512 INCULYFYRZEWLO-UHFFFAOYSA-N 305.360 -0.742 50 20 DBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)N1CCOCC1 794903156 CUURXWXSXOMZQQ-UHFFFAOYSA-N 320.415 -0.068 50 20 DBGD O=C(NNC(=O)c1ccnnc1)c1ccc(-c2nn[nH]n2)cc1 826445322 PJAUTGGYYKVQSY-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD COc1nccnc1NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 840571214 HENHNJOAPNWYNJ-QMMMGPOBSA-N 317.371 -0.498 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 843972770 HUCULLWRGBCBSR-APPZFPTMSA-N 317.301 -0.244 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2cccc(F)n2)C1 846722328 RZIXMLYJXWMQLS-MRVPVSSYSA-N 317.346 -0.119 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)Cn1cnc2ccccc21 854195855 QRFWIGYITDIYHH-LBPRGKRZSA-N 306.322 -0.155 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cc(O)n[nH]1 855830954 ZQOSVOKWZPPTLV-UHFFFAOYSA-N 311.342 -0.181 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1 862095937 RDPKCTIISJERNA-SCZZXKLOSA-N 310.310 -0.758 50 20 DBGD CN(C)C(=O)O[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 863883794 NOPODAOYTWVZHG-GFCCVEGCSA-N 306.127 -0.721 50 20 DBGD CCn1[nH]nnc1=NC(=O)NNCC(F)(F)C(F)(F)F 888321234 MQCKRPFTEMCWRP-UHFFFAOYSA-N 303.195 -0.061 50 20 DBGD CN1CCC(N(CCO)C(=O)c2cc(B(O)O)ccc2F)CC1 911932322 IXRXUPAKAZTWBP-UHFFFAOYSA-N 324.161 -0.966 50 20 DBGD C[C@@]1(C(=O)NN2CCS(=O)(=O)CC2)C[C@@H]1Br 912999458 STMXSBMPXJIAJY-IONNQARKSA-N 311.201 -0.079 50 20 DBGD COCCOC[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1261453128 VVPWXVOAWVXGFL-DCAQKATOSA-N 303.359 -0.207 50 20 DBGD Cc1csc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1261787527 SDFLLTUJQLXYBZ-MRVPVSSYSA-N 311.367 -0.397 50 20 DBGD CC(=NNC(=O)C(N)=O)c1cccc(N2CCCS2(=O)=O)c1 1319048367 WIRKZZYDLINCEY-UHFFFAOYSA-N 324.362 -0.448 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CCCCO)CC1 1320025154 ZICILYWXYWXGTC-LBPRGKRZSA-N 300.403 -0.678 50 20 DBGD Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)CCO 1320520747 ATXOUDJBJAZWDP-UHFFFAOYSA-N 322.365 -0.475 50 20 DBGD Cc1nnc(CNC(=O)NNc2nncc(N)c2Cl)n1C 1323990545 KVIABFUTODSDES-UHFFFAOYSA-N 311.737 -0.025 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-n2cncn2)nc1 1324683403 BMQJTPNYAMIMLP-UHFFFAOYSA-N 317.309 -0.651 50 20 DBGD COCCn1nc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)ccc1=O 1326384226 WSIYEZYDTPIJSJ-VHSXEESVSA-N 324.337 -0.924 50 20 DBGD Cc1ncc2n1CC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)C2 1327533476 QQVJHZNGWJOWAD-NSHDSACASA-N 319.365 -0.476 50 20 DBGD Cc1nc[nH]c1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1327705233 ATCBWZNPGTZRAT-SNVBAGLBSA-N 300.384 -0.247 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNC(=O)NCCc1cccs1 1347416480 IBUPKPFFKOKLLT-UHFFFAOYSA-N 324.362 -0.230 50 20 DBGD COC(=O)NNC(=O)[C@@]1(C(=O)OC(C)(C)C)CNCCO1 1578825043 OTSWIJDOARBZSG-GFCCVEGCSA-N 303.315 -0.926 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1590744799 ZSNLWXXNGHGJCK-UHFFFAOYSA-N 317.356 -0.559 50 20 DBGD CNC(=S)N(C)NC(=O)Cc1cccc(-c2nn[nH]n2)c1 1591215975 VDDAYFQJYHAIMK-UHFFFAOYSA-N 305.367 -0.124 50 20 DBGD O=C(Cn1ccccc1=O)NNc1ccc(-c2nn[nH]n2)cn1 1592938254 IJLZIUSHSJYBTE-UHFFFAOYSA-N 312.293 -0.433 50 20 DBGD CCCCNC(=O)NNC(=O)Cn1cccc(C(=O)O)c1=O 1595758624 FGFHWEZDAMGDED-UHFFFAOYSA-N 310.310 -0.323 50 20 DBGD O=C(NCCN1C(=O)CCC1=O)NNc1cncc(Cl)n1 265127462 XMBSYTPOFKBWLX-UHFFFAOYSA-N 312.717 -0.095 50 20 DBGD C=CCNC(=S)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 298273171 LKGPHHCFTMFJAO-UWVGGRQHSA-N 324.406 -0.157 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H]2CN3CCCN2CC3)n1 378322325 VVLABWUPXXGVOK-NSHDSACASA-N 306.370 -0.373 50 20 DBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(B(O)O)c(F)c1 584936419 INNWWFGYNKKEIF-NEPJUHHUSA-N 322.145 -0.902 50 20 DBGD CN(CC(=O)NCC(F)(F)F)C(=O)c1ccc(B(O)O)cc1 584943161 OSZFAUMYYYDQKQ-UHFFFAOYSA-N 318.060 -0.883 50 20 DBGD CN(C(=O)c1cc(B(O)O)ccc1F)C1(C(N)=O)CCCC1 584966701 IMZNVSVXOLITKH-UHFFFAOYSA-N 308.118 -0.624 50 20 DBGD CCOCc1nc([C@H](C)NC(=O)c2ccc(B(O)O)cc2)no1 584991478 ZJWAMCQLHNCUAR-VIFPVBQESA-N 319.126 -0.223 50 20 DBGD C[C@@]1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCC(=O)NC1 585003852 SAYQDEXDDRMKPY-CQSZACIVSA-N 308.118 -0.848 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)c3ccc(B(O)O)c(F)c3)CC[C@@H]2N1 585006285 CLAJDJOIIGVOEV-MFKMUULPSA-N 320.129 -0.754 50 20 DBGD OB(O)c1ccccc1CNC[C@H](O)COc1ccccc1 585017681 HUORUFRCRXVGOO-AWEZNQCLSA-N 301.151 -0.104 50 20 DBGD COCCn1nc(C)c(CNCc2ccc(B(O)O)o2)c1C 585019784 RSCQLZCAEFZZRJ-UHFFFAOYSA-N 307.159 -0.291 50 20 DBGD CCc1nc2n(n1)C[C@H](NCc1ccc(B(O)O)cc1F)CC2 585022209 UZGFYKDDTXJBAB-GFCCVEGCSA-N 318.161 -0.236 50 20 DBGD COc1ccccc1NC(=S)NNC(=O)Cn1cnnn1 725908877 YITAJPKOJFRWCL-UHFFFAOYSA-N 307.339 -0.301 50 20 DBGD CCOCC(=O)NNC(=O)NCc1ccc(-c2nn[nH]n2)cc1 736607993 FIFGABUMGWCEOM-UHFFFAOYSA-N 319.325 -0.266 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cncc(F)c1 737431473 JMSWAUWSWJMWMV-QMMMGPOBSA-N 302.331 -0.001 50 20 DBGD O=C(O)NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 738660161 CSCSDGCSLNBHAT-UHFFFAOYSA-N 319.251 -0.173 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2nonc2N)cc1 744869296 HWJSFVHXGMRKOH-UHFFFAOYSA-N 319.277 -0.422 50 20 DBGD COCCN(CCO)CC(=O)NNC(=O)c1cccc(C#N)c1 756514314 NVYZXZRSJSILPK-UHFFFAOYSA-N 320.349 -0.740 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](C)S(=O)(=O)CC1 759997729 AMMCXYXJGGCVEZ-UWVGGRQHSA-N 305.400 -0.559 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](CO)OC[C@H]1C 766944662 KOMIMRRMZGLYPT-GRYCIOLGSA-N 301.387 -0.350 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 774773256 WUAZRGSYSCFHKE-ZJUUUORDSA-N 300.359 -0.391 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NOC[C@@H]2CCOC2)n1 788326286 QQESJNBKYBZXKR-LLVKDONJSA-N 311.342 -0.202 50 20 DBGD Cn1nncc1CNC(=O)NNC(=O)COc1ccccc1F 807612646 REIXDNGFADDHKI-UHFFFAOYSA-N 322.300 -0.136 50 20 DBGD COCCN(C)NC(=O)CSCC(=O)N1CCOCC1 808074866 MAKAYGSMAZMWBZ-UHFFFAOYSA-N 305.400 -0.812 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1 830761491 BLJNOQCCEYNDQH-UHFFFAOYSA-N 317.327 -0.566 50 20 DBGD C[C@H]1C(=O)N(C)CCN1CC(=O)NNC(=O)c1ccc(F)cc1 839565467 GZHZAMNRZLZZMR-JTQLQIEISA-N 322.340 -0.251 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](C(=O)N(C)C)C1 839637086 VOWUZVKSORWWKB-RYUDHWBXSA-N 312.414 -0.022 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 843653637 CPGXLYJANVUWAW-JOYOIKCWSA-N 305.334 -0.100 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)Cc1ccccc1 843972282 DUPCTVUWVQCBNN-YPMHNXCESA-N 319.361 -0.082 50 20 DBGD N#Cc1ccc2c(c1)NC(=O)C2=NNC(=O)CN1CCCC1=O 844569350 NECYXBRJUIYDGU-UHFFFAOYSA-N 311.301 -0.047 50 20 DBGD NC(=O)c1ncn(CC(=O)NNc2nccnc2C2CCC2)n1 846153040 DZCVRKACORZHRT-UHFFFAOYSA-N 316.325 -0.422 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC[C@H](C)CC1 846633625 BQHOJPJRBKFEJB-GUBZILKMSA-N 305.400 -0.102 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2ccncc2)n1 854117658 CTCRIHXWTNJPLA-UHFFFAOYSA-N 303.326 -0.173 50 20 DBGD CNC(=S)N(C)NC(=O)Cn1c(=O)n(C)c2ccccc21 854926630 GRKXGOSLLUCXKH-UHFFFAOYSA-N 307.379 -0.193 50 20 DBGD COc1ccc2c(c1)C(=NNC(=O)[C@H]1CCC(=O)N1)C(=O)N2C 863151267 JUFNMECRPZQYLK-SNVBAGLBSA-N 316.317 -0.230 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCOc1ccc(F)cc1 863459698 YCCDSFVIHHIMGK-UHFFFAOYSA-N 318.326 -0.213 50 20 DBGD CCOC(=O)NCCc1nc(-c2cccc(B(O)O)c2)no1 863891862 FHXPOMCUDHCJBY-UHFFFAOYSA-N 305.099 -0.295 50 20 DBGD O=C1[C@H](NCc2ccccc2B(O)O)CCN1C1CCOCC1 877078008 YWPFTWJLOOQNNG-OAHLLOKOSA-N 318.182 -0.764 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1cncc(F)c1 1119084438 UBKLPUVGYRKHCD-XVKPBYJWSA-N 309.301 -0.109 50 20 DBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1 1261640012 SXHLQXLZWXCOSB-JTQLQIEISA-N 324.360 -0.590 50 20 DBGD O=C(NNc1cccnn1)[C@H]1Nc2ccccc2S(=O)(=O)N1 1320070821 JFWSSPXKXWEFET-NSHDSACASA-N 320.334 -0.350 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)cs1 1320544775 VBXFFMVSCQNNPR-UHFFFAOYSA-N 301.280 -0.140 50 20 DBGD CCNC(=O)N(C)NC(=O)C1CCC2(CC1)NC(=O)NC2=O 1323594887 FRCDFKXJWKAEGR-UHFFFAOYSA-N 311.342 -0.553 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccc(-n2cncn2)c1 1330491142 ZIUHQQMJQPFPOG-UHFFFAOYSA-N 318.293 -0.729 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O 1330544141 DGTRRUFACDRQOG-VGMNWLOBSA-N 307.372 -0.825 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)CC2 1331804407 VIPZINKIEJRPLU-GXSJLCMTSA-N 305.338 -0.820 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)COCC(F)(F)F 1339818317 MSVRCFNGZZXHQJ-YFKPBYRVSA-N 301.221 -0.543 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCc2nncn2C1 1343961662 NJDTYJVIQPVXMI-LURJTMIESA-N 306.248 -0.267 50 20 DBGD CO[C@H]1CN[C@@](C)(C(=O)NNC(=S)NCCSC)C1 1573959980 BHPDPWWZYFCSLG-LDYMZIIASA-N 306.457 -0.388 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1593994424 DUCQXUZJOYYSJG-PELKAZGASA-N 303.384 -0.029 50 20 DBGD Cn1cc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1C(=O)O 1600966142 VNUGEURADABVEB-VIFPVBQESA-N 312.282 -0.709 50 20 DBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1609103992 HGZHBKMNHXHOJM-SNVBAGLBSA-N 304.310 -0.355 50 20 DBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(C)=O)C2 1800975005 FHSCGIROTOYQBG-WRWGMCAJSA-N 304.774 -0.150 50 20 DBGD O=C(NCc1ccc(F)cc1)C(=O)NNC(=O)N1CCOCC1 266095154 JIZXXEDRDNGQTA-UHFFFAOYSA-N 324.312 -0.485 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)c2ccc(C)s2)nn1 267019076 PAEPCSDCTXRYOQ-UHFFFAOYSA-N 323.334 -0.104 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)CCn2cncn2)cc1 298071391 GXOHBRVZGPAMKJ-UHFFFAOYSA-N 318.337 -0.064 50 20 DBGD C#CCn1ccnc1C=NNC(=O)[C@@H](C)CN1CCOCC1 491652123 LIXIXDHJCPMYMF-ZDUSSCGKSA-N 303.366 -0.065 50 20 DBGD CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584936112 FLFDVIFPZYISQO-LLVKDONJSA-N 322.145 -0.506 50 20 DBGD OB(O)c1ccccc1CNCc1nc([C@@H]2CCCO2)n[nH]1 585046675 XQBNCSGPRQAHQL-LBPRGKRZSA-N 302.143 -0.374 50 20 DBGD COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCB(O)O)cc1 585058733 OEPODMWTHKAIBR-YVFTVSHDSA-N 306.127 -0.659 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)c1cccn1C 732052347 JXKGMAROURMKLL-UHFFFAOYSA-N 305.294 -0.093 50 20 DBGD CCNC(=O)NNC(=O)c1sccc1S(=O)(=O)N(C)C 732063469 STUSGIRHEQECBR-UHFFFAOYSA-N 320.396 -0.038 50 20 DBGD N#CCSCC(=O)NNC(=O)CNC(=O)c1cccs1 751208521 FVRBFGKNCWYWFR-UHFFFAOYSA-N 312.376 -0.118 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)CCN1 760236231 ULEKSSVBDKIOCS-VIFPVBQESA-N 305.290 -0.298 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1OC 764204611 WEWHUFGYKGQMEE-UHFFFAOYSA-N 324.337 -0.649 50 20 DBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)C(C)(C)O 768244340 MWRVLJIEXSKHET-ZCFIWIBFSA-N 314.371 -0.593 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCS1)N[C@H]1CCS(=O)(=O)C1 783043135 ZPGFPHQDAYPFFE-DTWKUNHWSA-N 321.424 -0.210 50 20 DBGD O=C(CN1CC(=O)N(C2CC2)C1)NNC(=O)c1cccs1 790458751 BZDMGAOISNPXSK-UHFFFAOYSA-N 308.363 -0.227 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1nc2ccccn2n1 813535290 URVVWNQMIBNAGA-VIFPVBQESA-N 306.326 -0.695 50 20 DBGD O=C(Cc1ccon1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 823115628 TUORGZIVQIBTPT-UHFFFAOYSA-N 313.277 -0.142 50 20 DBGD O=C(CN1CCCC1=O)NNc1cccc(-c2nn[nH]n2)c1 826410633 SZYDYMHVXJGIKO-UHFFFAOYSA-N 301.310 -0.068 50 20 DBGD CC(C)C(=O)NNC(=O)CN(C)CCN1C[C@H](C)O[C@H](C)C1 829322418 SGTOYQDPCFBFAS-BETUJISGSA-N 314.430 -0.169 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)[C@@H]1CCCCO1 833778938 LKLRHFKYAUJNDN-JTQLQIEISA-N 321.399 -0.578 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)S(C)(=O)=O 852710779 BLWUKPLZTCSJMY-DTWKUNHWSA-N 307.372 -0.681 50 20 DBGD C[C@@H]1CC(=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c2ncnn21 853390929 SOBOOAOETZUPKH-FOGDFJRCSA-N 304.354 -0.074 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCc2nn[nH]c21 854377073 GLMDERHXZNCMEQ-SECBINFHSA-N 301.310 -0.106 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC[C@@H](O)c2ccccc2)N1 858698231 XFYJWGZDBOAONS-NWDGAFQWSA-N 320.349 -0.281 50 20 DBGD CN1CCCC[C@@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858701395 KQWOMMCBRHYIFJ-QWRGUYRKSA-N 311.386 -0.673 50 20 DBGD Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 863414495 YBDZCAJXOLKPCE-JTQLQIEISA-N 311.363 -0.108 50 20 DBGD CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc(B(O)O)ccc1F 863876654 JEBYRMFUXOFYAB-CYBMUJFWSA-N 323.129 -0.033 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)C(=O)NCCO2 894135196 SSQDSPMPMAVJKT-UHFFFAOYSA-N 306.322 -0.869 50 20 DBGD CCCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)cn1C 1117007206 RXOLFHQEDOHVRO-UHFFFAOYSA-N 303.344 -0.974 50 20 DBGD CCNC(=O)COc1ccc(C=NNC(=O)C(N)=O)cc1OC 1317703742 NEVZZMRYWDLKOZ-UHFFFAOYSA-N 322.321 -0.855 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)n1cccc1 1320264238 URUAOTVZCGIRON-RKDXNWHRSA-N 302.356 -0.866 50 20 DBGD CCNC(=O)C(C)(C)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1325975303 JENFRSFOUHKICD-NXEZZACHSA-N 314.386 -0.096 50 20 DBGD Cn1cc(Br)c(C(=O)N2CC[C@H](B(O)O)C2)n1 1331826776 MMWZQOCZABZJTA-LURJTMIESA-N 301.937 -0.129 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cnccc1Cl 1335369436 ZZNHGJFDMKLIOY-UHFFFAOYSA-N 305.743 -0.531 50 20 DBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)NC1CCNCC1 1576296043 XOINRKADTAKFTD-JTQLQIEISA-N 307.354 -0.069 50 20 DBGD CC1(C)[C@H](N)C[C@H]1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1576371853 NLRWIYVAKZWTAJ-RWMBFGLXSA-N 324.425 -0.240 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)O 1603834153 AYHJLZTWAHIMAD-UHFFFAOYSA-N 309.278 -0.493 50 20 DBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)Cn2nc(C)cc2C)C1 8300892 WBAJALWTGBYUOA-ZDUSSCGKSA-N 321.381 -0.094 50 20 DBGD CCCS(=O)(=O)CC(=O)NNC(=O)NCc1ccco1 49162349 XDAYDBJLJAQDLY-UHFFFAOYSA-N 303.340 -0.065 50 20 DBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)C(C)(C)C)C2=O)cn1 265396554 JJOXMSYNJHQOPA-JTQLQIEISA-N 322.369 -0.098 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1ccncc1 272528937 MOMVINJLKJYCCV-UHFFFAOYSA-N 302.356 -0.519 50 20 DBGD CC(C)[C@@H](C(=O)NNc1cccnn1)N1CCCS1(=O)=O 273264114 ZPSHCLUCRUDJDM-NSHDSACASA-N 313.383 -0.020 50 20 DBGD CCc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccn1C 290249530 MYACQMBYTSFENC-MRVPVSSYSA-N 316.383 -0.714 50 20 DBGD CN(C)C(=O)NNC(=O)CNS(=O)(=O)c1cccs1 299333953 CTHOODQXVXVPKU-UHFFFAOYSA-N 306.369 -0.671 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 367943257 NWVCJPKVDJDONO-LPEHRKFASA-N 319.452 -0.104 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CN2CCOCC2)C1 584953512 VYBDYVIEOGCRDW-CYBMUJFWSA-N 318.182 -0.839 50 20 DBGD O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(B(O)O)cc1 584966332 XILXGJJFKOMPMU-CQSZACIVSA-N 319.166 -0.176 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CC2(CCOCC2)O1 584982928 KZAJFMNAWACEQC-LBPRGKRZSA-N 319.166 -0.224 50 20 DBGD O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1cccc(B(O)O)c1 584997354 AUOWQIGDNYYPOB-CHWSQXEVSA-N 302.139 -0.750 50 20 DBGD Nc1ccc([C@@H]2CCCN2C(=O)c2cccc(B(O)O)c2)nn1 585006774 OKBZWWWIEWRQFO-ZDUSSCGKSA-N 312.138 -0.284 50 20 DBGD Cc1ncsc1C(=O)NCCNCc1ccc(B(O)O)o1 585022181 UGIBONVQZXSAMD-UHFFFAOYSA-N 309.156 -0.756 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNCc2ccc(B(O)O)cc2)O1 585034720 NBRNHBFRAWDQGA-KBPBESRZSA-N 306.171 -0.908 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CSc2nc(N)n[nH]2)cc1 742447471 NVYMVPSYNZLRLH-UHFFFAOYSA-N 317.334 -0.188 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)C1CCCC1 746121488 JBRYRVOWBUHWGA-UHFFFAOYSA-N 305.400 -0.004 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)c(C)c1 748691270 KSDWYMMSOBNXHJ-UHFFFAOYSA-N 317.323 -0.419 50 20 DBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccccn1 754182099 LXHOZFWJODJPOM-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccoc1 758029768 NVQFITHCSVAFOC-QMMMGPOBSA-N 303.340 -0.703 50 20 DBGD COC(=O)CCc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 763518240 RTFMLNAAHJMCAV-UHFFFAOYSA-N 307.306 -0.102 50 20 DBGD CCOc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)CO 764429670 VFTXWZAXRKBACY-UHFFFAOYSA-N 315.713 -0.183 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)Cc2ccc(Cl)cc2)c1=O 778539728 IDVLYDZDMSHFRA-UHFFFAOYSA-N 323.740 -0.375 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 788141137 UTCFPQYPDYTCIR-CYBMUJFWSA-N 319.317 -0.548 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)NCCF 799916731 OHWZSMFCKWJBTQ-VIFPVBQESA-N 321.312 -0.024 50 20 DBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 802422035 IOCYIWPNZRPOKX-UHFFFAOYSA-N 313.335 -0.838 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806747280 UHUZQSDXATVXPZ-UHFFFAOYSA-N 324.268 -0.376 50 20 DBGD CCOCC(=O)NNC(=O)NCC1(S(C)(=O)=O)CCCC1 807537808 RBQZWCFJODOAIO-UHFFFAOYSA-N 321.399 -0.289 50 20 DBGD C[C@@H](CN)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 843350286 LHIPCVCQPFTKML-VIFPVBQESA-N 309.326 -0.365 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ccnc(F)c1 845932096 VZUPATFMVFFYGE-UHFFFAOYSA-N 305.335 -0.598 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCn1cncn1 855829847 TZSNLIJFNHULQP-UHFFFAOYSA-N 324.385 -0.242 50 20 DBGD O=C(NCCN1C(=O)CCC1=O)NNc1ncc(Cl)cn1 856865689 WDEFLEGRBLLNDP-UHFFFAOYSA-N 312.717 -0.095 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCOC(=O)N2)cc1OC 858122966 LTZXXVLULHBRQM-VIFPVBQESA-N 323.305 -0.037 50 20 DBGD COc1ccc(C)nc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860937560 GAIWAWXTUQPSSU-MRVPVSSYSA-N 307.310 -0.170 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 862150227 KOORKMYSDJQKNN-VDAHYXPESA-N 300.384 -0.687 50 20 DBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462345 WDBKUFKYVIXAQF-DTWKUNHWSA-N 312.370 -0.647 50 20 DBGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2cn[nH]c2)C1=O 862473051 BSTOXCCWGPCCIM-UHFFFAOYSA-N 322.325 -0.719 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CN1CCNC(=O)C1 901327319 MLAOCPSLPITYKT-UHFFFAOYSA-N 306.322 -0.652 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NN(C)C[C@H](C)O 910171405 VWDHLXXSAPIQFF-RYUDHWBXSA-N 321.443 -0.076 50 20 DBGD Cn1nc(C2CC2)cc1C(=O)NNC(=O)C(=O)N1CCCC1 931248581 XIVZHJNCJKULKB-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 1254888796 NXQWJLJGDLDVJV-UHFFFAOYSA-N 306.257 -0.488 50 20 DBGD Cc1cccc(NC(=S)NNC(=O)CN2C(=O)CNC2=O)c1 1317697295 VZFJLAYJLWWRFX-UHFFFAOYSA-N 321.362 -0.136 50 20 DBGD CN(NC(=O)c1nc2ncc(Br)cn2n1)C(N)=O 1320708920 VBTCFWDTHUCJSS-UHFFFAOYSA-N 314.103 -0.458 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(NC(=O)COC)CC1 1322758354 WTFPHDIDYAQPSV-SNVBAGLBSA-N 314.386 -0.841 50 20 DBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 1324640820 CKBVOPNSMQFYRV-NXEZZACHSA-N 308.342 -0.721 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCS(C)(=O)=O 1332068500 FTEAKLBZDRPRJR-BDAKNGLRSA-N 307.372 -0.824 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(S(C)(=O)=O)CC1 1339700467 ZNDJGXFMSFMQNP-ZETCQYMHSA-N 306.340 -0.947 50 20 DBGD O=C(NNC(=O)[C@@H](F)C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 1343895084 JLUXDNXXZRZMRZ-RFZPGFLSSA-N 321.252 -0.596 50 20 DBGD Cc1n[nH]cc1CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1348098971 OSBASWJZIMQVPC-SNVBAGLBSA-N 308.342 -0.740 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1452261664 QTWFVQBTWJRXDB-VXNVDRBHSA-N 317.309 -0.552 50 20 DBGD Cn1cnc(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)c1 1592587729 NAYQZOLSUVYVFR-UHFFFAOYSA-N 314.313 -0.179 50 20 DBGD O=C(O)COCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 1595107256 OJRDPJARAXWMJS-UHFFFAOYSA-N 310.262 -0.680 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1C 1600482483 AWOVTKKUJYOLMB-UHFFFAOYSA-N 301.324 -0.119 50 20 DBGD O=C(Cc1ccccc1C(=O)O)NNC(=O)[C@@H]1CCC(=O)N1 1601368443 KOUWYBUPBAQGSL-JTQLQIEISA-N 305.290 -0.647 50 20 DBGD Cc1nnc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)nc1O 1606124519 RNQVHPSBYWBGOC-UHFFFAOYSA-N 314.269 -0.782 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@](O)(C(=O)O)C2)c1 1607839272 BZYOAYOFQIPWMV-OAHLLOKOSA-N 321.333 -0.723 50 20 DBGD O=C(CCO)NNC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1 1609524389 NYRUFRNSUHOZLI-UHFFFAOYSA-N 309.261 -0.459 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1cccc(-c2nn[nH]n2)n1 1609536645 DFSKELNNGYCPAT-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ocnc1C(=O)O 1609881103 ZILJDXAPKJSARB-HTQZYQBOSA-N 311.294 -0.122 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H](C)C(=O)O 1611203774 YIJLUOQXACWAEY-SNVBAGLBSA-N 322.317 -0.051 50 20 DBGD C[C@@H](CN)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842866257 WBIZKJYQIZNDKF-UWVGGRQHSA-N 303.790 -0.616 50 20 DBGD Cc1c(C(=O)NNC(=O)CN(C)C)cnn1-c1ccccn1 113424329 KFKXITNGEVJQPG-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD Cc1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)on1 141594020 FGPYEMILPQOTIW-LLVKDONJSA-N 302.356 -0.136 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccsc1 264163607 TZALGTYVZFJWTC-MRVPVSSYSA-N 319.408 -0.234 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(C)C(=O)OC 265897307 SPUMVARXYUSCBH-UHFFFAOYSA-N 302.331 -0.863 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)C2(NC(N)=O)CC2)cc1 271141745 YIKCQNUENQBSPE-UHFFFAOYSA-N 320.349 -0.024 50 20 DBGD COC(=O)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 276028876 ZAFYLOYCILGAAR-MNOVXSKESA-N 311.338 -0.185 50 20 DBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cnnn1 278544191 OIEQHJLIQMXPAK-MRVPVSSYSA-N 324.728 -0.059 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293797667 CPQKEQISSBBJTF-IUCAKERBSA-N 304.368 -0.002 50 20 DBGD CC(C)C(=O)N1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 584962972 UCDATSQYKOLLCV-ZDUSSCGKSA-N 304.155 -0.647 50 20 DBGD O=C1C[C@@](C(=O)N2CC[C@@H](B(O)O)C2)(c2ccccc2)CN1 585063632 DPMHVLNCMIWFHE-DOMZBBRYSA-N 302.139 -0.480 50 20 DBGD C=CCCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276297 BSVZDSBOXKGYQU-BDAKNGLRSA-N 307.372 -0.947 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN(CCCOC)CC1 731281988 DZDPEJOQVULYQR-UHFFFAOYSA-N 316.402 -0.146 50 20 DBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C)CS(C)(=O)=O 744399703 XFCPNAQQUAPLPA-JTQLQIEISA-N 321.443 -0.065 50 20 DBGD O=C(CCn1cncn1)NNC(=O)Cc1cn2ccccc2n1 746640378 BWJYDUSACLYRCJ-UHFFFAOYSA-N 313.321 -0.294 50 20 DBGD Cc1nccn1CCCNC(=O)NNC(=O)C(=O)N1CCCC1 748462122 UANSODKAFBXBOR-UHFFFAOYSA-N 322.369 -0.466 50 20 DBGD Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)CN(C)C 755689864 UAZZGQDESQHVPW-UHFFFAOYSA-N 308.386 -0.423 50 20 DBGD C=CCC(CC=C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758043078 FFCZSKSFZWFJNB-SECBINFHSA-N 303.384 -0.160 50 20 DBGD Cc1ccccc1-n1nccc1NC(=O)C(=O)NNC(=O)CO 764422779 YUIPTHWHLPLIFA-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CCC[C@@H]1C 769651008 PNDGXGWLNSUIAD-GUBZILKMSA-N 305.400 -0.102 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc(O)n1 777378064 MAFUQEJXGDHHQC-UHFFFAOYSA-N 318.289 -0.120 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)NCC(=O)OC 779721315 NXHULTNVPOBBLY-SECBINFHSA-N 317.415 -0.678 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 786115444 TXNVVDJJJXLOOZ-UHFFFAOYSA-N 314.367 -0.165 50 20 DBGD Cc1cccc(C(=O)NNC=C2C(=O)NC(=S)NC2=O)n1 794845564 RGSBRUYFUGHYBY-UHFFFAOYSA-N 305.319 -0.961 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)c2cnnn2C)c1 799098609 QWQPCQHBRLCHMF-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)c2cnn(C)n2)cc1 806363943 MQYJKMMNBHWXPY-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(Cl)c2)CC1 816806637 INGWWXWXRBYHKL-UHFFFAOYSA-N 317.754 -0.078 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1nc(C)cc(OC)n1 829487463 DLABWKGOQXEUAY-MRVPVSSYSA-N 317.371 -0.435 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)C1CCCC1 844330063 TXRVIUPKJPPZLC-UHFFFAOYSA-N 307.354 -0.281 50 20 DBGD COC(=O)[C@](C)(CO)N[C@@H](C)C(=O)NNC(=O)CC(C)C 852159931 USCFKPDMFLKMHX-ZANVPECISA-N 303.359 -0.918 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)C(=S)NC)C1 854925600 JLCZNIDZHPVAFQ-SECBINFHSA-N 322.456 -0.485 50 20 DBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)NC(=O)C1CCCC1 862451875 AWMRUJXAZKFXCJ-KOLCDFICSA-N 324.381 -0.503 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc3c2OCCO3)N1 862453728 MVMMNBJRDICVNW-SECBINFHSA-N 305.290 -0.503 50 20 DBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1cn[nH]c1 862474512 NFYOLYQTONUOOX-UHFFFAOYSA-N 302.356 -0.368 50 20 DBGD CNS(=O)(=O)c1ccc(COc2ccc(B(O)O)cc2)cc1 864048427 WXGVQFRCMAPUTI-UHFFFAOYSA-N 321.163 -0.147 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc3nccn3c2)CC1 868121762 NIPQLXWSNMNSMU-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD CCN1C(=O)[C@H]2CN(S(=O)(=O)CCCCl)CCN2C1=O 881975935 RZIOJIVHSFIUJI-SECBINFHSA-N 323.802 -0.087 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)cc1O 882049933 JENFDKKAYLFYNC-ZDUSSCGKSA-N 318.377 -0.148 50 20 DBGD C[C@H](O)CN(C)NC(=O)CNC(=O)NCc1ccc(F)cc1 910174205 CLKNJJRTOZKODS-JTQLQIEISA-N 312.345 -0.031 50 20 DBGD COC[C@](C)(NC(=O)NNC(=O)CN(C)C)C(F)(F)F 932328813 ADDUJFRLSLFWFB-VIFPVBQESA-N 300.281 -0.154 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCN(CC(C)C)C1 1116252237 ALOOVERUYIZLRK-SNVBAGLBSA-N 300.359 -0.532 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)cc1 1116690995 VDLGVQOBZUDTLR-UHFFFAOYSA-N 320.349 -0.770 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NN[C@H](C)C(F)(F)F 1261829275 KBYOJEMXULIQDK-SSDOTTSWSA-N 312.292 -0.410 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNc1nccn(C)c1=O 1319051952 DGQGBKBVPGHUCC-QMMMGPOBSA-N 305.294 -0.365 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNC(=O)c1cc2ccccc2o1 1319397022 YVQGFASUBZYBSU-UHFFFAOYSA-N 316.273 -0.254 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 1320261654 QTEKYWJLYUIPPU-UHFFFAOYSA-N 312.257 -0.360 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1c(C)cnn1CC1CC1 1320521220 RDHUWBVSALCPTF-UHFFFAOYSA-N 323.353 -0.276 50 20 DBGD O=C1COc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)ccc2N1 1329077464 DUMIHZMSSGUMBQ-SECBINFHSA-N 318.289 -0.943 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)Cc1cc[nH]n1 1329542434 RPELALAAZGFAFY-UHFFFAOYSA-N 303.326 -0.652 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 1342635867 KMMJZTINPILWJK-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD CC(C)[C@@]1(CO)CCN(C(=O)c2cc(B(O)O)ccc2F)C1 1348719413 PIQHCVFJLQHNGB-HNNXBMFYSA-N 309.146 -0.014 50 20 DBGD N[C@H]1C[C@H](CNC(=O)NNC(=O)Cc2cn3ccccc3n2)C1 1580427439 BUSNMGAMHDZSAL-XYPYZODXSA-N 316.365 -0.056 50 20 DBGD O=C(CSCC(=O)N1CCCCC1)NNC(=O)[C@@H]1CCN1 1580564952 KNJGPMGIPNTPHA-JTQLQIEISA-N 314.411 -0.759 50 20 DBGD Cn1c(C(=O)NNC(=O)[C@@]2(C)CCCO2)ccc1-c1nn[nH]n1 1592550085 UWIFBNHCSMRSOU-CYBMUJFWSA-N 319.325 -0.465 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)c1ccc(-c2nn[nH]n2)o1 1593167601 VKCDMJHTNSONSU-UHFFFAOYSA-N 312.253 -0.117 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H]2COCCO2)ncc1C(=O)O 1600271055 ZZCYVCZFLSMBCL-SECBINFHSA-N 324.293 -0.344 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)Cn1cc(C(=O)O)cn1 1601371520 QSNRAIGQBYYEAZ-UHFFFAOYSA-N 303.278 -0.634 50 20 DBGD Cc1c(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cccc1C(=O)O 1607551169 XVKBFNSDRDIURR-JHJVBQTASA-N 322.317 -0.451 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Nc1c(C(=O)O)cnn1C 1608128785 DSNJUQHPISFGQC-UHFFFAOYSA-N 306.282 -0.077 50 20 DBGD O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843365424 PJSGXCYFCUGYIW-GUBZILKMSA-N 319.764 -0.553 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)S1(=O)=O 584990597 GAVQILDYKSFDJE-NXEZZACHSA-N 311.168 -0.986 50 20 DBGD O=C(NC[C@]1(O)C[C@H]2C=C[C@H]1C2)c1ccc(B(O)O)c(F)c1 585007182 KXKLJLOIASKBKN-CCUNJIBTSA-N 305.114 -0.438 50 20 DBGD N#Cc1c(Br)cccc1S(=O)(=O)NCB(O)O 585059788 ZGGJEIKYNDEKKZ-UHFFFAOYSA-N 318.945 -0.389 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN1CCC(=O)NC1=O 731994247 QJOWZQOTSAVFMZ-UHFFFAOYSA-N 320.305 -0.602 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 733757543 DJCSBTFJHBZNEO-KXUCPTDWSA-N 307.306 -0.276 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](NC(=O)O)C(C)C)n1 738367933 DHNQAQQLFXXBHI-NSHDSACASA-N 311.342 -0.060 50 20 DBGD O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)c1cnn[nH]1 739720459 PPNSDRKMOCQJSE-UHFFFAOYSA-N 317.265 -0.159 50 20 DBGD O=C(O)NCCCC(=O)NNC(=O)CNC(=O)c1ccco1 739956192 BTQSCFMSPLIVOG-UHFFFAOYSA-N 312.282 -0.795 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)Cn1cc([N+](=O)[O-])cn1 747323043 HVNPQJNKDHDMBC-UHFFFAOYSA-N 304.266 -0.424 50 20 DBGD C[C@H](NC(=S)NNC(=O)CCN1C(=O)CCC1=O)C1CC1 751621632 ZFUSODTXBVXWBE-QMMMGPOBSA-N 312.395 -0.181 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N=c1nc[nH]n1C 757761594 PFWGJSMPTIJNDL-QMMMGPOBSA-N 322.300 -0.004 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCNC(=O)C2)cc1 760261694 GTBCTMMVSCPASK-LLVKDONJSA-N 316.317 -0.389 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@]23CCC(=O)N2CCS3)n[nH]1 763121140 XWTBCQROWQFFNW-LBPRGKRZSA-N 309.351 -0.455 50 20 DBGD CC(C)(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)CO 764422793 ZABWXZDUJJZZBQ-UHFFFAOYSA-N 309.322 -0.058 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)COc1ccccc1F 784997995 HAPDUQZYRPAFQL-JTQLQIEISA-N 309.297 -0.027 50 20 DBGD C[C@H](CN1CCOCC1)N(C)CC(=O)NNC(=O)C(C)(C)C 789334305 HZMMXSYRMOPIKL-GFCCVEGCSA-N 314.430 -0.168 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN(C)C(=O)COC 807369416 ZKJRAYIRLPRFIO-UHFFFAOYSA-N 319.358 -0.972 50 20 DBGD COc1coc(C(=O)NNC(=O)N2CCN(C)CC2)cc1=O 807381437 UFJPNZCLGNKWKF-UHFFFAOYSA-N 310.310 -0.750 50 20 DBGD CN(C)S(=O)(=O)NCCNS(=O)(=O)CCCCCl 809381905 RFXNDGVNTPAVCB-UHFFFAOYSA-N 321.852 -0.679 50 20 DBGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NN(C)C(N)=O 810829094 ZYTVCAYXBUKJQJ-SNVBAGLBSA-N 310.358 -0.475 50 20 DBGD CN(NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 819648955 YWCALDFJPZLYGW-AAXDQBDMSA-N 307.350 -0.336 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NCCCSC#N 819699282 YLMYZCQZHFGUCH-UHFFFAOYSA-N 309.413 -0.337 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 823959664 NKSKHDVDUZEMQM-XJKSGUPXSA-N 307.394 -0.033 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1 827920449 ZJOPIPNCNIDZBP-NXEZZACHSA-N 319.325 -0.298 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)C1(CC(=O)OCC)CC1 831126281 XYYPBNAMIWGQHF-UHFFFAOYSA-N 307.372 -0.032 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(-n2cncn2)c1 843645329 MRYBCFKDTVYYFC-MWLCHTKSSA-N 316.321 -0.152 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C1(S(C)(=O)=O)CC1 854284691 UOYBEDYAJPNNSQ-UHFFFAOYSA-N 323.440 -0.562 50 20 DBGD CNC(=S)N(C)NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 854920395 FVKZXGUWJWHGIF-ZETCQYMHSA-N 310.387 -0.575 50 20 DBGD COC(=O)COCCNC(=O)NNc1ccc(Cl)nn1 858835898 RCYZFSCQOPHTIH-UHFFFAOYSA-N 303.706 -0.054 50 20 DBGD CCc1noc(CC)c1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455291 FBZXYFHDDSYKRZ-JTQLQIEISA-N 308.338 -0.232 50 20 DBGD COc1cccc(OC)c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862457876 SPSCIBCIXMQNDP-MRVPVSSYSA-N 307.306 -0.257 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CC(=O)c3ccccc32)N1 862458607 GWHRMBHNVWTEMY-MNOVXSKESA-N 301.302 -0.217 50 20 DBGD COc1ccc(F)cc1CC(=O)NNC(=O)CS(C)(=O)=O 863465249 YVYGQHLGJCUYBN-UHFFFAOYSA-N 318.326 -0.431 50 20 DBGD CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 867013996 ZTUGCFWGTBZPDH-MRVPVSSYSA-N 318.848 -0.056 50 20 DBGD C#CCSCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 895511388 QEULGJJQFWSQJW-TXEJJXNPSA-N 313.423 -0.001 50 20 DBGD CCn1cc(NC(=O)C(=O)NNc2nccnc2OC)cn1 1116631323 RMEPPIBUDFPMKJ-UHFFFAOYSA-N 305.298 -0.217 50 20 DBGD COc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)CCO 1320240949 NHRUUYSTMKMZTN-UHFFFAOYSA-N 315.713 -0.183 50 20 DBGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NN(C)C(N)=O 1320842539 KZBFEECTIXHKHI-UHFFFAOYSA-N 306.326 -0.537 50 20 DBGD O=C(CCO)NNC(=O)Nc1ccn(-c2ncccc2F)n1 1321215192 OMZCPVIYQJEBSU-UHFFFAOYSA-N 308.273 -0.059 50 20 DBGD O=C1CCCN1C[C@H](O)CNS(=O)(=O)CBr 1324403652 NIHVOVOKHLKQJY-SSDOTTSWSA-N 315.189 -0.759 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1C 1329297727 DVZONKIFVMRIRS-WPRPVWTQSA-N 323.353 -0.507 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCc2cncn2C1 1330955943 UCHLKVIPDOKQAA-JTQLQIEISA-N 321.381 -0.102 50 20 DBGD CNCCOc1ccccc1C(=O)NNC(=O)c1cn(C)nn1 1578715896 HRSXNKJGHYNNIN-UHFFFAOYSA-N 318.337 -0.512 50 20 DBGD O=C(O)c1cncc(S(=O)(=O)NNC(=O)c2ccccn2)c1 1602543395 HEGBFCCGTDQPTJ-UHFFFAOYSA-N 322.302 -0.202 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCC1)C(=O)Nc1ccccn1 1605814585 INTDEZABWDPZGF-UHFFFAOYSA-N 306.278 -0.578 50 20 DBGD Cn1nnc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)n1 1606284247 DDUSICSCLJXMSD-UHFFFAOYSA-N 321.692 -0.805 50 20 DBGD O=C(c1cnc[nH]1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349676 GSWVJTRFLFCVSM-SNVBAGLBSA-N 312.757 -0.174 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1C 48961923 RLGSUJOZLIQWQB-UHFFFAOYSA-N 301.324 -0.096 50 20 DBGD O=C(CN1CCCN(C(=O)C2CC2)CC1)NNC(=O)C1CC1 121505947 YSFWMAORWSZVPG-UHFFFAOYSA-N 308.382 -0.512 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)c1 264135843 NHTVTOADSFHWRF-ZETCQYMHSA-N 303.315 -0.476 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1cnccn1 265234906 ZADLKRQLPJXJDY-UHFFFAOYSA-N 304.310 -0.216 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1ccc[nH]1 299447777 MQWRLIYFUCLMQH-UWVGGRQHSA-N 318.333 -0.049 50 20 DBGD C[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc(B(O)O)cc1 584939781 YWZMVDPMEGDOLV-GFCCVEGCSA-N 318.182 -0.113 50 20 DBGD CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc(B(O)O)cc1 584979175 MLTYNIKBZKIQBA-OAHLLOKOSA-N 304.155 -0.503 50 20 DBGD COc1ccc(S(=O)(=O)NCB(O)O)c(Br)c1 585059559 RUHRMCAQMVBQEL-UHFFFAOYSA-N 323.961 -0.252 50 20 DBGD CCCNC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)cc1 728314080 PDBTUPYYYLTDCG-UHFFFAOYSA-N 314.367 -0.383 50 20 DBGD CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)CS(=O)(=O)CC 733197350 PQPLHVATWSIDEZ-SNVBAGLBSA-N 319.427 -0.311 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCN1CCCC1=O 740852535 AUZMESDQPRXGJM-UHFFFAOYSA-N 312.370 -0.549 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCc2c[nH]nc2C1 742698626 SGYSJUOXJISYPF-VIFPVBQESA-N 321.381 -0.033 50 20 DBGD COCCN1CCN(C(=O)NNC(=O)C2CCCC2)CC1=O 753338765 FEUQMQFETPKSON-UHFFFAOYSA-N 312.370 -0.292 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)nc1 764302797 INPXCQQTMHTNCZ-UHFFFAOYSA-N 310.310 -0.399 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CN1C(=O)CCOc2ccccc21 768262051 RPPLWYZDTUPOBI-UHFFFAOYSA-N 321.333 -0.280 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)n1 787437235 PQTDZTHXCJOATP-UHFFFAOYSA-N 307.289 -0.578 50 20 DBGD CCCCNC(=O)NNC(=O)CCCCCS(N)(=O)=O 845295229 ABYJSLGXFFGOLD-UHFFFAOYSA-N 308.404 -0.034 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCc2nnnn2CC1 845456380 XKYDVPFEAZOFSS-QMMMGPOBSA-N 304.314 -0.882 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CCO[C@@H]2CN)nc2ccccc2c1=O 852803659 ODTAHFGXJXRSJG-ZYHUDNBSSA-N 317.349 -0.260 50 20 DBGD O=C(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)Nc1ccccc1 858694143 HGMVDCGCEPCUFZ-JTQLQIEISA-N 319.321 -0.766 50 20 DBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCS1 858696796 NLUDLACJGWFDMG-BDAKNGLRSA-N 300.384 -0.167 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1CCOC(=O)N1 859488689 AMCFWSVPVMTVMJ-LLVKDONJSA-N 307.306 -0.151 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNc3cnccn3)CC2=O)cn1 860936668 IVBRCESZUSGRTE-SECBINFHSA-N 301.310 -0.294 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)N1CCSCC1 869908015 HZBUSAYHYDOULK-JTQLQIEISA-N 305.400 -0.766 50 20 DBGD O=C(NCCOC[C@@H]1CCCO1)NNC(=O)C1CCOCC1 883418946 WLZBJDHOGMRHLV-LBPRGKRZSA-N 315.370 -0.061 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 910166762 PIWYAHHVBXMQIL-MNOVXSKESA-N 317.386 -0.034 50 20 DBGD CCN(CCO)NC(=O)c1c[nH]nc1I 911442538 BFBMTFSPLXWYFM-UHFFFAOYSA-N 324.122 -0.027 50 20 DBGD CCc1ccc(CC(=O)NNC(=O)CN2CCCC2=O)nc1 913733675 RERAIOZWRIRNLL-UHFFFAOYSA-N 304.350 -0.044 50 20 DBGD Cc1c(CNC(=O)NNC(=O)C(=O)N2CCCC2)cnn1C 1116390483 RXZPIOZGGXJXBM-UHFFFAOYSA-N 308.342 -0.819 50 20 DBGD Cn1cc(NC(=O)NNC(=O)CNC(=O)c2ccco2)cn1 1116592437 WJVMDUHYWQJSDZ-UHFFFAOYSA-N 306.282 -0.404 50 20 DBGD C[C@H]1OCC[C@]12CN(C(=O)NNC(=O)c1cn[nH]c1)CCO2 1118864630 REKBHIGKCXNVMG-RNCFNFMXSA-N 309.326 -0.356 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2nccnc2C(N)=O)cc1 1318850681 LTKSAFCTUZOZHZ-UHFFFAOYSA-N 315.289 -0.341 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)CCN1 1319467579 QSDSAURRSKBNIQ-JTQLQIEISA-N 315.333 -0.450 50 20 DBGD CC(C)NC(=S)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1320789529 IENIPJWAGAXGQW-VIFPVBQESA-N 322.456 -0.991 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccnc2c(C(N)=O)cnn12 1320789857 QJTGJTDTVJEXSC-UHFFFAOYSA-N 305.298 -0.866 50 20 DBGD Cn1nc2c(c1NC(=O)C(=O)NNC(=O)C1CCC1)CCC2 1321152807 XFNIGSSUWXAESO-UHFFFAOYSA-N 305.338 -0.205 50 20 DBGD Cn1cc(-c2nn(C)cc2C(=O)NNC(=O)NC2CC2)cn1 1321545022 RSYDGTIWLFSDCQ-UHFFFAOYSA-N 303.326 -0.073 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(C)nc1-c1cnn(C)c1 1321576486 AQWIMVPVAGIQKW-UHFFFAOYSA-N 305.342 -0.857 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC2(CC1)CNC(=O)C2 1325991700 WWUFJMVYNAMGEU-GHMZBOCLSA-N 324.381 -0.246 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)c1cnn(C[C@H](O)CO)c1 1327745372 NOCORSRJNPQJKD-VIFPVBQESA-N 300.315 -0.594 50 20 DBGD O=C(NNC(=O)c1csc(NC2CC2)n1)C(=O)NC1CC1 1329192711 DTFGGCDZDZRVHT-UHFFFAOYSA-N 309.351 -0.243 50 20 DBGD CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 1330029894 WVJFJWLQFYSAFV-VWYCJHECSA-N 312.370 -0.201 50 20 DBGD COC(=O)N(C)NC(=O)NCCCCN1CCN(C)CC1 1330264718 KZLGBHUHGCADAD-UHFFFAOYSA-N 301.391 -0.074 50 20 DBGD CCOC(=O)C[C@H](NC(=O)NNC(=O)CCO)C(F)(F)F 1333917155 ACIJPTWJOANENE-LURJTMIESA-N 315.248 -0.417 50 20 DBGD Cn1ncc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1Cl 1347626722 GOTJWUGIMIONQY-ZETCQYMHSA-N 304.759 -0.042 50 20 DBGD CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)[C@H]2CCN2)c1C 1578025451 JLONVZNHKJTBJK-SECBINFHSA-N 308.338 -0.069 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)O[C@H]1C(=O)O 1599876112 PITLLXUAHXDURL-GTNGPMTGSA-N 311.269 -0.140 50 20 DBGD O=C(NCc1ncc(C(=O)O)s1)NNC(=O)c1cn[nH]c1 1601549936 DELJITBNCMTAPB-UHFFFAOYSA-N 310.295 -0.291 50 20 DBGD O=C(O)c1cncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 1602541540 FJWOFDOAPJYXTM-QMMMGPOBSA-N 300.101 -0.983 50 20 DBGD O=C(NNc1ccncn1)C(=O)Nc1cncc(C(=O)O)c1 1605820949 NGEBRXXQORJDIT-UHFFFAOYSA-N 302.250 -0.348 50 20 DBGD O=C(O)c1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cs1 1608858507 QKXZJPRCNMQSRH-LURJTMIESA-N 305.142 -0.316 50 20 DBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1783876026 LLVDKZCHSDOMTC-GXFFZTMASA-N 319.789 -0.971 50 20 DBGD CC(C)(O)CC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350590 LMLVDYZRWFEHGL-SNVBAGLBSA-N 318.801 -0.050 50 20 DBGD O=C([C@@H](O)CCl)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1841351516 SIYNCIWWWDFTLG-AXFHLTTASA-N 316.785 -0.440 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)NCC1CC1 49166786 AIXXYQBTOXSPBZ-SECBINFHSA-N 321.424 -0.353 50 20 DBGD NS(=O)(=O)c1ccc(CCNS(=O)(=O)CCl)cc1 111000556 OHOUNGFSNYAPSO-UHFFFAOYSA-N 312.800 -0.008 50 20 DBGD CCn1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 114258471 WONHXUJLOKDABZ-UHFFFAOYSA-N 305.294 -0.313 50 20 DBGD C[C@@H](CBr)CN1CCN(S(N)(=O)=O)CC1 133772019 URBFVZOQFUMFCO-QMMMGPOBSA-N 300.222 -0.162 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)CCc1ccc(OC)cc1 292594802 HLIFSJHDCNFYAS-UHFFFAOYSA-N 308.338 -0.296 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc[nH]1 299435893 ASIITCFURMMGNG-UHFFFAOYSA-N 319.321 -0.360 50 20 DBGD CC(C)[C@@H](CNC(=O)c1ccc(B(O)O)cc1)N1CCOCC1 584929237 PSPQGERJNKEYIN-OAHLLOKOSA-N 320.198 -0.547 50 20 DBGD C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(B(O)O)c(F)c1 584957726 LOAKOQRRIYVCHM-GXSJLCMTSA-N 311.118 -0.571 50 20 DBGD O=C1CC[C@H]2CN(C(=O)c3ccc(B(O)O)c(F)c3)CC[C@H]2N1 585006283 CLAJDJOIIGVOEV-GXFFZTMASA-N 320.129 -0.754 50 20 DBGD CCOc1ccccc1[C@](N)(C(=O)NCB(O)O)C(F)(F)F 585073362 KNHILAAJEIDVJK-NSHDSACASA-N 320.076 -0.070 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn(-c2ccccc2)n1 744446778 NPBZTSXTWSXBIS-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD CCOCCO[C@@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 748239929 MZFVKXWCHFSPCX-JTQLQIEISA-N 301.343 -0.802 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CN2CCC(=O)NC2=O)n1 748335981 SFJXQQANPYWZHR-UHFFFAOYSA-N 312.717 -0.177 50 20 DBGD O=C(CCCn1cccn1)NNC(=O)CNC(=O)c1ccco1 751202756 IDHHAMHQTBFWEZ-UHFFFAOYSA-N 319.321 -0.166 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCn1cccc1 753047967 ARCXVPODQPZCQN-UHFFFAOYSA-N 319.321 -0.159 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 753445529 LWWWSSHGHRUUIX-LLVKDONJSA-N 306.322 -0.927 50 20 DBGD CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)C(=O)NC1CC1 754372596 AHLAYJFMYKSNBY-SNVBAGLBSA-N 314.386 -0.360 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)Cc1cc[nH]n1 755267789 BRAIOTYYBVGYEC-LLVKDONJSA-N 307.354 -0.109 50 20 DBGD Cc1nscc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758027851 XMYFWNIHWNFRQW-ZCFIWIBFSA-N 306.369 -0.850 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)c2ncccc12 764420905 GSVBNSOTLZQJJK-UHFFFAOYSA-N 322.708 -0.034 50 20 DBGD CN(CC(=O)NNc1cc(C#N)cc(Cl)n1)S(C)(=O)=O 768694734 CMLTVRWFSKBKCU-UHFFFAOYSA-N 317.758 -0.059 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CC[C@]1(C)CCC(=O)N1 772237691 PYWCLYHAZLTEHY-XPTSAGLGSA-N 313.354 -0.076 50 20 DBGD CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 776066255 HUQSJIAALCLIHM-SZEHBUNVSA-N 312.370 -0.345 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(O)c1O 790483938 NYAROCTXJYGWGJ-ZETCQYMHSA-N 314.319 -0.707 50 20 DBGD CN(NC(=O)CNS(=O)(=O)c1cn(C)cn1)c1ccccc1 809984371 HDOORLRCNHVZBK-UHFFFAOYSA-N 323.378 -0.134 50 20 DBGD CN(CCc1ccccc1)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 824856900 MGLCOBBRYREJMX-ZDUSSCGKSA-N 318.377 -0.413 50 20 DBGD N#Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 831884341 GBPMXCLPMAOMDC-MRVPVSSYSA-N 323.334 -0.459 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)Cn1cc(C(=O)O)nn1 833118289 FLJUFLUKYVVKBL-UHFFFAOYSA-N 321.268 -0.495 50 20 DBGD CCC[C@H](C(=O)NNc1nc2ccccn2n1)S(N)(=O)=O 834351461 KSKUXRWBAQKRJD-MRVPVSSYSA-N 312.355 -0.370 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCNC2=O)cc1 854261227 WPPSINGOXHLGCR-JTQLQIEISA-N 304.306 -0.783 50 20 DBGD Cc1ccc(OCCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858087286 DZCIRHWLKLIUQE-GFCCVEGCSA-N 320.349 -0.017 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCC1 858621301 WMPIAGDUBRYLAO-MNOVXSKESA-N 312.370 -0.199 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C12CCC2 858697532 SPPDRRQAQXJZBJ-GARJFASQSA-N 324.381 -0.057 50 20 DBGD Cc1cc(C)nc(SCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862448611 FQROCPSGRAGTLC-VIFPVBQESA-N 323.378 -0.388 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCCO3)N1 862449846 UINDUBBWQXFJDU-JTQLQIEISA-N 319.317 -0.113 50 20 DBGD N[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1C(F)(F)F 903541179 SRIISXMDELBEIZ-BDAKNGLRSA-N 308.304 -0.245 50 20 DBGD C[C@]1(C(=O)NCCN2C(=O)CNC2=O)C[C@@H]1Br 906685645 LXGRZVOEYMRFRB-WKEGUHRASA-N 304.144 -0.172 50 20 DBGD Cn1cc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)cn1 1319871646 YBKQRFCIOFIMDN-UHFFFAOYSA-N 317.313 -0.371 50 20 DBGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)CCO)ccn1 1321490203 AQURIEIRGDHWRQ-UHFFFAOYSA-N 310.310 -0.663 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCc2nnnn2CC1 1328342527 MGJJKVQGXTVMSJ-LURJTMIESA-N 306.248 -0.275 50 20 DBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1329716917 VOPZJTAGALTPBT-RKDXNWHRSA-N 320.367 -0.842 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCCCN1CCCC1 1331737328 XJVFVIPOIJBWQJ-UHFFFAOYSA-N 305.400 -0.556 50 20 DBGD CCn1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1333323061 SLACHWCAAOUZMC-IUCAKERBSA-N 309.326 -0.586 50 20 DBGD Cn1cnc(S(=O)(=O)NNC(=O)c2ccc(C#N)cc2)c1 1338195181 WLNKNGQSNRPGLH-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD CNC(=O)NNC(=O)c1n[nH]cc1I 1342750495 ZKBZXEHBGMGUMF-UHFFFAOYSA-N 309.067 -0.412 50 20 DBGD CCCc1csc(NC(=O)C(=O)NNC(=O)C(=O)OC)n1 1344076960 PTCGCSRQTQTOIC-UHFFFAOYSA-N 314.323 -0.646 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnn(C2CC2)c1 1351693173 NRUHHIIPAFAPCN-QMMMGPOBSA-N 312.351 -0.586 50 20 DBGD CCOC(=O)C[C@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1590763356 LBAIUJYDOMKBPB-JTQLQIEISA-N 320.309 -0.376 50 20 DBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1CC(=O)O 1599862809 GTAVKQSZLUOHCJ-RKDXNWHRSA-N 309.102 -0.312 50 20 DBGD Cc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)[nH]c1C(=O)O 1600185327 MILBGONTVTVGHR-ZETCQYMHSA-N 316.339 -0.591 50 20 DBGD CCOC[C@@H](C(=O)O)N(C)C(=O)c1cc(B(O)O)ccc1F 1605620118 CGJDBHKNINYCBW-NSHDSACASA-N 313.090 -0.933 50 20 DBGD O=C(CCn1cncn1)NNC(=O)[C@@H]1COc2ccccc2O1 25529474 BROGSVVSSBXTOX-LBPRGKRZSA-N 317.305 -0.344 50 20 DBGD O=C(NNC(=O)c1cccs1)N[C@H]1CCS(=O)(=O)C1 54029272 PYWDSXJHGPVSAQ-ZETCQYMHSA-N 303.365 -0.121 50 20 DBGD CCOCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 66992813 DHHCNIRIHCXMNX-UHFFFAOYSA-N 304.306 -0.269 50 20 DBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(C#N)cc1 144556248 BLFCPLGAZYLXJA-UHFFFAOYSA-N 310.335 -0.453 50 20 DBGD COC(=O)c1cccc(CC(=O)NNC(=O)C(=O)NC(C)C)c1 270262705 XZBVTSWEJBMAPS-UHFFFAOYSA-N 321.333 -0.312 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)CCc1ccccc1O 270476791 JVZHCNAMMDPMBX-UHFFFAOYSA-N 323.349 -0.423 50 20 DBGD CN(NC(=O)CNC(=O)N1CCc2ccccc2C1)C(N)=O 271386811 SWUWOCCNKZMXCF-UHFFFAOYSA-N 305.338 -0.204 50 20 DBGD O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc(B(O)O)c(F)c1 584930250 UTJZBJJSRMFBFT-UONOGXRCSA-N 306.146 -0.138 50 20 DBGD O=C(N[C@H](CO)CN1CCCCC1)c1cc(B(O)O)ccc1F 584988425 NCWHVRSAYVATIT-LBPRGKRZSA-N 324.161 -0.918 50 20 DBGD CNC(=O)C1CCC(NCc2ccc(B(O)O)cc2F)CC1 585019104 BRDFQDUOKCUZEN-UHFFFAOYSA-N 308.162 -0.100 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)ccc1-n1cnnn1 729457974 YDKYRMVUTMEQAB-UHFFFAOYSA-N 313.281 -0.836 50 20 DBGD Cn1nc(SCC(=O)NN=Cc2ccc[nH]2)c(=O)n(C)c1=O 730569138 PLRVNABMMAYGJR-UHFFFAOYSA-N 322.350 -0.951 50 20 DBGD C[C@]1(NNC(=O)NCCOCC2CC2)CCS(=O)(=O)C1 731119311 OVYROYOTAGSIFN-LBPRGKRZSA-N 305.400 -0.206 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)C2CCC2)cc1C(N)=O 732048281 YPNVODNYWKAQLW-UHFFFAOYSA-N 300.340 -0.766 50 20 DBGD CN(C)N(C(=O)CCCNC(=O)O)[C@H]1CCS(=O)(=O)C1 737371165 ZGTFBPXSRFTEBI-VIFPVBQESA-N 307.372 -0.474 50 20 DBGD COCCn1ncc2ccc(NC(=O)NNC(=O)CO)cc21 756270784 XKBJEQYHVIKSNM-UHFFFAOYSA-N 307.310 -0.172 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1COCCN1CC 772236617 RKMLSYMBEYWCSR-UWVGGRQHSA-N 301.343 -0.804 50 20 DBGD CN(CCNC(=O)N(C)C)CC(=O)NNC(=O)c1ccccc1 777717567 ZSNYLROOBQWKCF-UHFFFAOYSA-N 321.381 -0.349 50 20 DBGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NN(C)C(N)=O 778412860 YQKUCZKWSKLWOR-ZETCQYMHSA-N 304.310 -0.277 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCS1)N[C@H]1CCS(=O)(=O)C1 783043136 ZPGFPHQDAYPFFE-IUCAKERBSA-N 321.424 -0.210 50 20 DBGD CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)COC)c1C 792266609 TVYRHAXIXBXQDI-MRVPVSSYSA-N 311.342 -0.105 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 793379343 ACOQVDOTEVAHQZ-UHFFFAOYSA-N 302.312 -0.701 50 20 DBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)Cc1cccnc1 800329554 HRNGHJJODANSEK-LLVKDONJSA-N 307.354 -0.146 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](S(C)(=O)=O)C1 800466821 HVTIBIRXPGBKDM-GHMZBOCLSA-N 319.427 -0.313 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 807382728 NSYNGZWMOSOSPT-UHFFFAOYSA-N 323.313 -0.826 50 20 DBGD COC(=O)Cc1occc1C(=O)NNC(=O)C(=O)N1CCCC1 810275867 VTXSFPSDJIEAMK-UHFFFAOYSA-N 323.305 -0.622 50 20 DBGD CC(C)CCC(=O)NNC(=O)Cn1cnc(-c2nn[nH]n2)n1 820069281 YSNBQHWTJOGJDU-UHFFFAOYSA-N 307.318 -0.958 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1nnnn1C1CC1 826614580 OXYANDCTHMRQSN-XKSSXDPKSA-N 323.357 -0.176 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(-c2cccnc2)nn1 843657607 DEGZAXIXVCRUPC-ONGXEEELSA-N 316.321 -0.152 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)COc1ccccc1O 847467059 RPLWCBILIJUVTE-BDAKNGLRSA-N 307.306 -0.570 50 20 DBGD C=CCNC(=S)NNC(=O)CCn1cnc2c(N)ncnc21 854186032 QIFOLNFZKGDKDG-UHFFFAOYSA-N 320.382 -0.520 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)N1 858700450 LZKBMCKXWQLUMQ-HCKVZZMMSA-N 322.365 -0.351 50 20 DBGD COc1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]n1 861381982 ODNWXVFOIJVFPE-ZCFIWIBFSA-N 317.327 -0.994 50 20 DBGD C#CCCCC(=O)NNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 887141633 BQAVRNLVCUARRH-GFCCVEGCSA-N 319.365 -0.147 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)NN(C)C[C@@H](C)O)C2=O 910177488 MLGRPQVKJYFUKG-SNVBAGLBSA-N 305.334 -0.065 50 20 DBGD CC(=O)NC1(C(=O)NNC(=O)C(=O)NC(C)C)CCCCC1 918477054 OWRQOVHZAAPZLP-UHFFFAOYSA-N 312.370 -0.503 50 20 DBGD COCC(=O)NCCC(=O)NNC(=S)N[C@@H](C)C1CC1 1261746942 XLNDEIMBRFQPHF-QMMMGPOBSA-N 302.400 -0.567 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2C(=O)CCC2=O)cc1 1317700097 GGINTSFGZISQRR-UHFFFAOYSA-N 305.290 -0.395 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCc2ncnn2C(C)(C)C)cn1 1325172936 RYUNXVZCPPXULD-UHFFFAOYSA-N 320.357 -0.089 50 20 DBGD O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CC[C@@H](B(O)O)C1 1329214763 KCVSHGVCZKUYKN-NXEZZACHSA-N 315.160 -0.918 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)CCS(C)(=O)=O 1345733185 NTNVFDSKGGJROA-UTLUCORTSA-N 321.399 -0.435 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n(C)n1 1345811342 GVJVVYVHJDVDJA-RKDXNWHRSA-N 309.326 -0.761 50 20 DBGD C[C@@]1(C(=O)N2CCC(O)(C(N)=O)CC2)C[C@H]1Br 1354014532 FZYMZMULYGWNSI-GMSGAONNSA-N 305.172 -0.001 50 20 DBGD C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)NC(N)=O 1574507424 IUFFVISTPJZQBT-LURJTMIESA-N 305.302 -0.848 50 20 DBGD CN1CCC[C@](O)(CC(=O)NNC(=O)CCCCCN)C1 1578528328 GLIHZKAXWWXCEZ-AWEZNQCLSA-N 300.403 -0.500 50 20 DBGD O=C(NNC(=O)[C@@]1(C(=O)O)CCCO1)c1cccc([N+](=O)[O-])c1 1594783241 XEXUFILCDYKGKI-CYBMUJFWSA-N 323.261 -0.010 50 20 DBGD Cc1nn(CC(=O)NNc2cccc(C(=O)O)c2)c(=O)n1C 1608003723 NQYBALAUIFJWTG-UHFFFAOYSA-N 305.294 -0.268 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1csc([N+](=O)[O-])c1 44350130 HGMKGCUBNWHHAV-UHFFFAOYSA-N 300.296 -0.058 50 20 DBGD CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 113423699 BSHNYHDALGSXJT-NEPJUHHUSA-N 312.414 -0.020 50 20 DBGD CN(C)C(=O)CCNC(=O)NNC(=O)COc1ccccc1O 264489611 PLFIIDOQBBDHIT-UHFFFAOYSA-N 324.337 -0.420 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 266489042 AZSOVGRLPDTCTB-UHFFFAOYSA-N 310.266 -0.013 50 20 DBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1O)C(=O)N1CCCC1 269181608 ZUGGTUNDMOCGJF-UHFFFAOYSA-N 322.277 -0.316 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H](C)N2CCN(C)CC2)nc1 270410701 ZUAGPIIYCAMEFW-LLVKDONJSA-N 321.381 -0.053 50 20 DBGD CCNC(=O)N(C)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 272686938 PICNTCOEECBWFV-UHFFFAOYSA-N 313.358 -0.211 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Cn1cccn1 273231198 LVNREMBMTYBZFK-VIFPVBQESA-N 311.342 -0.056 50 20 DBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1ccc(C#N)cc1 274675126 IJYXUZXXWBLZCH-UHFFFAOYSA-N 303.322 -0.019 50 20 DBGD Cc1ccn2c(=O)c(C(=O)NNC(=O)C(C)(C)O)cnc2c1 276341705 ZZSYZUURAGLPTO-UHFFFAOYSA-N 304.306 -0.465 50 20 DBGD NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCCO1 292183409 QRNOPWYKPUPAOM-RYUDHWBXSA-N 320.349 -0.408 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCCO2)[C@@H](C)n2ncnc2N1C 294732463 UGWXDDPAGDDFTC-ZJUUUORDSA-N 320.353 -0.111 50 20 DBGD O=C(NNC(=O)C1(O)Cc2ccccc2C1)N1CCOCC1 369951281 MCUDGALLJGAWJE-UHFFFAOYSA-N 305.334 -0.411 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 490968126 UZNNIYZOLUZGKL-UHFFFAOYSA-N 322.270 -0.162 50 20 DBGD COC(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 495406882 HDYCNINLLYJBJE-UHFFFAOYSA-N 304.303 -0.986 50 20 DBGD CC(C)NC(=O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584936836 IEXCYJUMVQPGJK-UHFFFAOYSA-N 318.182 -0.257 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCCN(C2CC2)CC1 584938105 WJQAESXUEPBFEV-UHFFFAOYSA-N 306.146 -0.184 50 20 DBGD C=CCC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584985253 IIRMFOVQWJTRFX-UHFFFAOYSA-N 302.139 -0.773 50 20 DBGD CCNC(=O)N1CC[C@@H](NCc2ccc(B(O)O)cc2F)C1 585030603 HNEAYSNJEQPLLU-GFCCVEGCSA-N 309.150 -0.601 50 20 DBGD CCN1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CC1=O 585054537 XDWDOIJIIPTQOE-JTQLQIEISA-N 301.111 -0.248 50 20 DBGD CCOCC(=O)NNC(=O)NCCN(C)CC(F)(F)F 732703838 LVPABIVRDHAGLO-UHFFFAOYSA-N 300.281 -0.153 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCN(C(=O)O)CC1 736670532 LURNOMSUBLIDAF-ZETCQYMHSA-N 306.344 -0.830 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCCN1CCOCC1 747441324 VMTKNMDQLOMZMZ-UHFFFAOYSA-N 307.354 -0.713 50 20 DBGD N#Cc1cccc(OCC(=O)NNc2ccc(C(N)=O)nn2)c1 757402980 RTBQZBOGSAYMGC-UHFFFAOYSA-N 312.289 -0.031 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](O)C[C@H]2C)n1 761113067 MODDGRVAOVVWCS-ZJUUUORDSA-N 312.395 -0.403 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1ccccn1 761137412 HEJORKULXFZPOY-UHFFFAOYSA-N 314.367 -0.438 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2ccncc12 764300350 YLTHDTCAQPQZGE-UHFFFAOYSA-N 302.290 -0.033 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 764428472 FKIBXDIODRJFJS-UHFFFAOYSA-N 320.330 -0.112 50 20 DBGD COCCCNC(=O)NNC(=O)CN(C)[C@@H]1CCSC1 766824218 HMQZFOMVSQCBEQ-SNVBAGLBSA-N 304.416 -0.209 50 20 DBGD CN(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(N)=O 770533037 KIURIPAKSRSNMW-UHFFFAOYSA-N 310.335 -0.485 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCNC(=O)C1 772189005 WXPPETVWVCIWLY-NXEZZACHSA-N 313.354 -0.362 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)OC)c(OC)c1 796991839 QAKOUOMEUXZIQW-UHFFFAOYSA-N 323.305 -0.022 50 20 DBGD COc1nccnc1NNC(=O)c1ccnc2c1nnn2C 802580889 ISXNZWGNMYIJBV-UHFFFAOYSA-N 300.282 -0.081 50 20 DBGD O=C(CN(CCCO)Cc1ccccn1)NNC(=O)C1CC1 805754973 KCVOBGXHPHJNOT-UHFFFAOYSA-N 306.366 -0.177 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825929696 KVLLBTGZXJNXNL-BDAKNGLRSA-N 307.372 -0.824 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc(C)o1 829831738 RCMTXEIBRHOGSJ-MRVPVSSYSA-N 303.340 -0.323 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccnc1F 832063239 GZSCADPSWRXLIU-ZETCQYMHSA-N 316.314 -0.192 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc[nH]1 844370531 IKKXWXFFQTUPEB-VIFPVBQESA-N 300.340 -0.800 50 20 DBGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)CC1CC1 854667161 HNDUIOCZWIGFIV-UHFFFAOYSA-N 312.351 -0.693 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 854919788 FSQFHJUYKIUEGT-ZDUSSCGKSA-N 312.395 -0.625 50 20 DBGD COC(=O)CCCN1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1 863148828 LAGMGPPXNVJDQO-GFCCVEGCSA-N 324.381 -0.214 50 20 DBGD CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 863886048 SUPBMIPITKTYMG-OLZOCXBDSA-N 305.139 -0.172 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 916830289 IPLHIJBQKUVGPL-SECBINFHSA-N 306.322 -0.394 50 20 DBGD O=C(NN=C1CN2CCC1CC2)N[C@H]1CCS(=O)(=O)C1 920384456 LERINMXYULCQNW-JTQLQIEISA-N 300.384 -0.446 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](c1ccco1)N1CCCC1 1116182246 ZJGKYTAOTDHKKN-SNVBAGLBSA-N 324.337 -0.080 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(NS(C)(=O)=O)nc1 1118810820 UMEUDWSJSWSJON-UHFFFAOYSA-N 301.328 -0.583 50 20 DBGD CN(C)S(=O)(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1252123070 SIZCARLQTKSIKQ-UHFFFAOYSA-N 321.380 -0.869 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CCO)cnn1CC(C)C 1321152349 QAWXEVQEXHNVNW-UHFFFAOYSA-N 311.342 -0.684 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2nnnn2c1 1322509914 QDVNWFFYPDEKNQ-UHFFFAOYSA-N 319.325 -0.810 50 20 DBGD CN(C)N(C(=O)[C@H]1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1329017770 MSWXAZAETMHNMZ-VHSXEESVSA-N 324.424 -0.944 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2cn[nH]c2)c(=O)cc1C 1329077769 HLHFAVSYQSAJAC-UHFFFAOYSA-N 319.321 -0.399 50 20 DBGD O=C(Cc1csc(N2CCCC2=O)n1)N1CC[C@H](B(O)O)C1 1330262939 VOSGKDVBTQIUAD-VIFPVBQESA-N 323.183 -0.112 50 20 DBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NN(C)C[C@@H](C)O)c2C1 1333348339 XLCIJXBAPUTAMF-ZYHUDNBSSA-N 323.397 -0.461 50 20 DBGD O=C(NNC(=O)[C@@H]1CC12CCC2)N[C@H]1CCS(=O)(=O)C1 1340325036 PEQXLUGSDKXZLG-IUCAKERBSA-N 301.368 -0.306 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)NC2CC2)C[C@@H](C)O1 1576800010 FMDDQHHCWRNRRA-GRYCIOLGSA-N 312.414 -0.226 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1=NOC2(CCNCC2)C1 1576903788 OYAQVLIGUVTULW-VHSXEESVSA-N 310.354 -0.543 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@H]1CCCNCC1 1579051745 FCUPCYXGHIVQFQ-VXGBXAGGSA-N 316.402 -0.242 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc3c(s2)CCNC3)nn1 1579953294 RLFYOMQDSPGSDQ-UHFFFAOYSA-N 306.351 -0.403 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)C1=O 1598623308 DEFKUOHILPTVFB-JTQLQIEISA-N 311.269 -0.176 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CN(C)C)cccc1C(=O)O 1607536159 BUMFTRTWXHHYNG-UHFFFAOYSA-N 322.321 -0.659 50 20 DBGD Cn1nc(C(=O)O)cc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1776027791 HBMICSYVXFYQGK-ZETCQYMHSA-N 314.323 -0.997 50 20 DBGD COC(OC)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841485459 AQSMKKNEXBJINR-VIFPVBQESA-N 320.773 -0.592 50 20 DBGD CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1845164505 INWQXDHGBCDSOD-ZJUUUORDSA-N 302.806 -0.507 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)COc1ccc(F)cc1 43715224 BHLKLGGPRRQBBJ-UHFFFAOYSA-N 312.301 -0.377 50 20 DBGD C[C@H](CNC(=O)NNc1ncccn1)CN1CCN(C)CC1 175796092 HHRIGXDZSZDFJZ-GFCCVEGCSA-N 307.402 -0.014 50 20 DBGD O=C(CN1CCNCC1=O)NNc1nc(-c2ccccc2)no1 238112249 DVRZFVMBAXWUBS-UHFFFAOYSA-N 316.321 -0.389 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(OC)c1O 270474227 NQTTWMRCSJWRDO-ZETCQYMHSA-N 311.294 -0.094 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(C)c1F 273033105 YIGINXPSKDCTEW-UHFFFAOYSA-N 319.314 -0.200 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)C1CC1 494539535 OGIIJWPAOVQWPB-UHFFFAOYSA-N 314.342 -0.815 50 20 DBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)c1nnc2n1CCC2 584933245 BRLSJCBFTIYAAA-SECBINFHSA-N 300.127 -0.605 50 20 DBGD CN(C)CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584944626 CQXPIHVEXXKAIG-UHFFFAOYSA-N 308.162 -0.081 50 20 DBGD C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc(B(O)O)ccc1F 584972712 FFXYJCPPLGSJLF-FHZGZLOMSA-N 301.148 -0.656 50 20 DBGD O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cccc(B(O)O)c1 584987825 VKDKMZXQBJSWMN-OLZOCXBDSA-N 302.139 -0.750 50 20 DBGD Cc1noc([C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)n1 584994428 OLORGTMKKXOWSO-JTQLQIEISA-N 319.101 -0.173 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](O)[C@@]12CCSC2 585007948 DGAGVWNIGARUOF-JSGCOSHPSA-N 307.180 -0.551 50 20 DBGD C[C@H](CN1CCOC[C@H]1C)NCc1ccc(B(O)O)cc1F 585020928 CHMWNDXJKJUYRO-VXGBXAGGSA-N 310.178 -0.296 50 20 DBGD NC(=O)CNC(=S)NNC(=O)COc1ccc(Cl)cc1 727064540 IATKZGVEVRMQPN-UHFFFAOYSA-N 316.770 -0.301 50 20 DBGD O=C(CN1CCC[C@@H](N2CCNC2=O)C1)NNC(=O)C1CC1 733194435 RHQAATLGWVTROM-LLVKDONJSA-N 309.370 -0.967 50 20 DBGD CC(=O)N1C[C@@H](C(=O)NNC(=O)CN(C)C)Oc2ccccc21 733359679 XSEGMNWRGIZBER-ZDUSSCGKSA-N 320.349 -0.491 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)c1cnn(C)c1 743641172 HAFTZXVXGQFRGZ-UHFFFAOYSA-N 312.374 -0.668 50 20 DBGD CN(C)C(=O)NNC(=O)CCn1nc(O)c2ccccc2c1=O 746007751 AFIADIZGSGCORC-UHFFFAOYSA-N 319.321 -0.205 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc2[nH]ccc12 758047333 MCAGGLGXFKOIFT-QMMMGPOBSA-N 324.362 -0.133 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(COC)c1 764325883 WHWZGAVCJDXXPB-UHFFFAOYSA-N 309.322 -0.045 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)N(C)C)N1CCCS1(=O)=O 772691332 JXKVITZRCTXLAL-VIFPVBQESA-N 306.388 -0.651 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2c(N)nc(C#N)c2C#N)c1 776842712 CWFJPSFTFULUCY-UHFFFAOYSA-N 323.316 -0.022 50 20 DBGD Cc1cc(=O)c(C(=O)NNC(=O)CO)nn1-c1ccccc1 777782348 ADVIBUZZHKTHSJ-UHFFFAOYSA-N 302.290 -0.706 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)Cc2cccnc2)cn1 779663936 UCCWABBKROAFQT-UHFFFAOYSA-N 315.289 -0.338 50 20 DBGD CCOCC(=O)NNC(=O)NCC1(S(C)(=O)=O)CCC1 793274741 MCHBFZGUIFTXNJ-UHFFFAOYSA-N 307.372 -0.679 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)CCOCCO)cc1 800507425 PPWAUHUHAAIPST-UHFFFAOYSA-N 309.366 -0.303 50 20 DBGD O=C1CC(C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)C1 818027462 RSOSCGCVQAAQSV-NSHDSACASA-N 315.285 -0.436 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)s2)cn1 822669349 IUBZTXBPLCZWMU-UHFFFAOYSA-N 318.322 -0.264 50 20 DBGD O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNS(=O)(=O)CCl 830833608 IVLQLNFDSMDQML-AATLWQCWSA-N 318.782 -0.091 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)CCOC)C1 837623651 RCWVCLCBJJTVLJ-LLVKDONJSA-N 307.416 -0.343 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCN(C)C(=O)C1 854280411 VAAOYVDNKXSIQB-SNVBAGLBSA-N 316.427 -0.271 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C/c2cncc(O)c2)CC1 854379046 MPKVOFGLFTXNDM-NSCUHMNNSA-N 305.338 -0.211 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)OCC(F)(F)F 856018534 BOUCRPLYJWSUQJ-LURJTMIESA-N 315.248 -0.561 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 858571667 JCPIXARYMQAGST-IWSPIJDZSA-N 302.331 -0.850 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NN[C@H](C)C(F)(F)F 862311402 NLMFFGPQMFHYRN-SSDOTTSWSA-N 321.321 -0.486 50 20 DBGD O=Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862456104 VEYHHTKHBPETHS-LLVKDONJSA-N 305.290 -0.696 50 20 DBGD NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCC(=O)N1 863379331 VFIKABFEEIVAQJ-WDEREUQCSA-N 308.313 -0.879 50 20 DBGD CCc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 863413418 HYTNNDQSZRBJFQ-LLVKDONJSA-N 311.363 -0.163 50 20 DBGD Cc1ccc(-c2nnn(CC(=O)NN(C)C[C@H](C)O)n2)cc1 910177373 LEKVQLZYIYNIKA-NSHDSACASA-N 304.354 -0.008 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NN(C)C[C@H](C)O)C1 910182083 HPOIZCXMMGYJRU-RYUDHWBXSA-N 301.387 -0.395 50 20 DBGD C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)[C@H]1C 911777950 IBSCZZANPLFUPL-XHNCKOQMSA-N 308.118 -0.757 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2cnn[nH]2)c2ccccc2c1=O 918280612 QGJXIRDALKDCIE-UHFFFAOYSA-N 313.277 -0.874 50 20 DBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 918585021 RMYKGYFDHBTTDU-SECBINFHSA-N 305.400 -0.006 50 20 DBGD O=C(NN=Cc1ccc(O)cc1O)N[C@@H]1CCS(=O)(=O)C1 920380472 JYDNJENTWVDDDL-SECBINFHSA-N 313.335 -0.082 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)NCC(F)(F)F 920437246 SUTMEUSCQJGKFF-UHFFFAOYSA-N 324.259 -0.192 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)cc1 920832139 CJHDQNDCIMIDSI-UHFFFAOYSA-N 317.323 -0.338 50 20 DBGD O=C(CCN/C(O)=C1/N=CC=CC1=O)NNC(=O)C1CCC1 1116177045 RWYBJPPKNRTJPY-OWBHPGMISA-N 306.322 -0.150 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)CC(F)(F)F)O1 1116269025 UWJLKMFRIRJDRU-RITPCOANSA-N 312.248 -0.698 50 20 DBGD C[C@H](NC(=O)NNc1nc2ccccn2n1)c1nnnn1C 1123737721 HMJUDVALBJXTME-ZETCQYMHSA-N 302.302 -0.360 50 20 DBGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COC)c1 1320357929 JXTPBJURVJWYDU-UHFFFAOYSA-N 322.321 -0.831 50 20 DBGD O=C(Cc1ccccc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1322391721 YEVZJTHBIOGJSB-LLVKDONJSA-N 311.363 -0.253 50 20 DBGD COCC(=NNC(=O)Cc1cc(O)nc(O)n1)C1CCOCC1 1325943871 NWFYVPOHTPAYCN-UHFFFAOYSA-N 324.337 -0.025 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCn1cnccc1=O 1327741410 PVMHUDKCTVBNDQ-SECBINFHSA-N 310.310 -0.878 50 20 DBGD C[C@@H](Cc1ccccn1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331314805 KYTNXFFAWWISCE-GXSJLCMTSA-N 305.338 -0.378 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 1349077218 SWRNKSQRZYITOP-NHCYSSNCSA-N 324.381 -0.247 50 20 DBGD COCC[C@@H](N)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1578998034 PRAUXISDUBZBKC-SNVBAGLBSA-N 316.402 -0.560 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCNC[C@H]1c1ccncc1 1580812832 DVCKZDRPEBVGPV-HNNXBMFYSA-N 311.150 -0.452 50 20 DBGD CC(C)C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)O 1588853230 SZYGHMYCTMGXMS-IUCAKERBSA-N 314.342 -0.658 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC(F)(F)C[C@@H]1C(=O)O 1589693737 ZTWSZURYGCOLET-SSDOTTSWSA-N 307.297 -0.026 50 20 DBGD O=C(O)COCC(=O)NNC(=O)c1ccc(Cl)cc1O 1595107248 OEMUWYRSZRHBJR-UHFFFAOYSA-N 302.670 -0.092 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 1596862077 MPKGFYVZLMCFKG-UJICNMFASA-N 316.335 -0.469 50 20 DBGD CCOc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc1C 1597042247 LHDYNNJZGQFYNR-UHFFFAOYSA-N 309.278 -0.436 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ncccc1C(=O)O 1602953685 JECQGUPBZMYFSJ-UHFFFAOYSA-N 316.339 -0.449 50 20 DBGD Cc1ccc(C2=NO[C@@H](CNC(=O)NNC(=O)C(=O)O)C2)cc1 1607766638 CPQNEXMZAFZSEF-SNVBAGLBSA-N 320.305 -0.097 50 20 DBGD CN1CCN(CC(=O)NNc2ccc(C(=O)O)c(F)c2)CC1=O 1610135004 MUDATOOUASOWQU-UHFFFAOYSA-N 324.312 -0.259 50 20 DBGD NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1 1778022245 BQJPNXLSPUSSSG-IRUJWGPZSA-N 321.780 -0.007 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 113423870 GXVDFEZBYCXLHM-JTQLQIEISA-N 308.313 -0.040 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)N3CCOCC3)ccc21 264189180 NABSUIGICVWEDE-UHFFFAOYSA-N 304.310 -0.345 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)Cn2nc(C)cc2C)C1 269303520 VNOAUOLCFGKSPT-UHFFFAOYSA-N 324.341 -0.719 50 20 DBGD CSCCNC(=S)NNC(=O)CCN1C(=O)CCC1=O 271337540 WGMZVDKLWCLYEP-UHFFFAOYSA-N 318.424 -0.616 50 20 DBGD CCc1cncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 280631732 LYSPBDVLHNDOFG-MRVPVSSYSA-N 314.367 -0.657 50 20 DBGD COCCCNC(=O)/C(C#N)=C\c1cn(C)c(=O)n(C)c1=O 490587850 MUNHCMGTOAJDJC-YFHOEESVSA-N 306.322 -0.856 50 20 DBGD O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc(B(O)O)c(F)c1 584930245 UTJZBJJSRMFBFT-KBPBESRZSA-N 306.146 -0.138 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@]2(CCCOC2)O1 584981873 BKSOKHJRSZSSIY-MLGOLLRUSA-N 319.166 -0.224 50 20 DBGD C[C@@H]1CC[S@@](=O)CCN1C(=O)c1cc(B(O)O)ccc1F 584982116 IOFPZGGTKYRRQF-AOUSDQRYSA-N 313.159 -0.511 50 20 DBGD COC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H]1CCCO1 584984249 WHDXZIIBRDILJC-CHWSQXEVSA-N 311.118 -0.571 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)N1CCCC1 584985502 LVSZRAFVHSMTFZ-VIFPVBQESA-N 308.118 -0.754 50 20 DBGD O=C1CC[C@H](NC(=O)c2ccc(B(O)O)cc2)[C@H](C2CC2)N1 584987440 PGXIZXPUHSMXSL-JSGCOSHPSA-N 302.139 -0.847 50 20 DBGD CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCc2ccc(B(O)O)o2)C1 585040110 ABECILOAWGLXGI-IACUBPJLSA-N 306.171 -0.304 50 20 DBGD COc1ccc(O)c(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 728437742 WQQRGDYUDSZRBN-MRVPVSSYSA-N 315.351 -0.211 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)NC 734122868 CKOURHOJVSGDRS-SECBINFHSA-N 306.388 -0.459 50 20 DBGD CCc1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)n[nH]1 739018826 DZZZGXDMCOQBHV-GFCCVEGCSA-N 315.399 -0.147 50 20 DBGD Cn1nc2c(cc1=O)CN(CC(=O)NNC(=O)C(C)(C)C)CC2 742428738 LQEFEPKPSWQNCE-UHFFFAOYSA-N 321.381 -0.668 50 20 DBGD CNC(=O)NNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748232367 SYAYFTRSWAJEAN-UHFFFAOYSA-N 324.297 -0.646 50 20 DBGD O=C(NCCCn1cccn1)NNC(=O)C(=O)N1CCCC1 748443953 FYGRPCVZUBACDP-UHFFFAOYSA-N 308.342 -0.774 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccccn1 748837684 GRALLFSRNITKEZ-VIFPVBQESA-N 314.305 -0.381 50 20 DBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@H]1CN2CCCN1CC2 764588034 FITUOZGNGRYPTB-LLVKDONJSA-N 306.326 -0.177 50 20 DBGD O=C(NC[C@@H]1CCCCN1C1CC1)NNC(=O)C(=O)NC1CC1 765665932 FAWYPPKTCPQYFO-LBPRGKRZSA-N 323.397 -0.388 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCNC(=O)C2(C)C)c1 777585922 JWSVNEIMUODUHY-UHFFFAOYSA-N 318.377 -0.034 50 20 DBGD O=C(Cc1ccccc1CO)NNC(=O)C(=O)N1CCCC1 779751853 FZUVKUMCLKLWIL-UHFFFAOYSA-N 305.334 -0.509 50 20 DBGD COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)CBr 780899763 WVUYYQTVSKDZDZ-RQJHMYQMSA-N 316.173 -0.333 50 20 DBGD CCn1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 824939369 UBRVACMMUCCPNR-MRVPVSSYSA-N 315.355 -0.510 50 20 DBGD Cn1cnc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1 826364877 PEVJBQNKBXGYTP-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD C[C@@H](CC(=O)NNC(=O)COc1ccccc1O)NC(N)=O 847465815 IUDXALDVVZQROU-QMMMGPOBSA-N 310.310 -0.635 50 20 DBGD N#Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858145692 BCUKHLNVLKDJDX-NSHDSACASA-N 301.306 -0.333 50 20 DBGD C[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)(C)CN(C)C 858289568 NGFCOUDVPLWUED-ZJUUUORDSA-N 313.402 -0.428 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCC1 858621299 WMPIAGDUBRYLAO-GHMZBOCLSA-N 312.370 -0.199 50 20 DBGD COc1ccc(CN(C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 858696885 OYSUNVMOOKCXAI-SNVBAGLBSA-N 321.337 -0.459 50 20 DBGD C[C@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCS1 858699739 XMOCLQPJOHOCIY-DTWKUNHWSA-N 300.384 -0.167 50 20 DBGD CCC(CC)N1C[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1=O 862452075 SUGDTRAWMQLZQJ-MWLCHTKSSA-N 324.381 -0.551 50 20 DBGD CN(C)C(=O)O[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 863884131 ZILXQTYMMILTHK-JTQLQIEISA-N 324.117 -0.582 50 20 DBGD COC(=O)CCCCCS(=O)(=O)N1CC[C@@H](B(O)O)C1 864230694 CNTRFIRNTOVQSE-SNVBAGLBSA-N 307.177 -0.402 50 20 DBGD O=C1NCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)O1 867653669 KPTLIEHSSIMVCW-UHFFFAOYSA-N 304.111 -0.919 50 20 DBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CCC2)c1 1116599675 CUKJGVRQJOJSSZ-UHFFFAOYSA-N 318.333 -0.068 50 20 DBGD CO[C@@H]1Cc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc2C1 1254905982 WWVUPKWISQTFPQ-GFCCVEGCSA-N 321.333 -0.732 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 1319468989 LEYBHQQRVWZYOY-VIFPVBQESA-N 300.336 -0.287 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1cccnc1 1319920653 NNWXLIVXYFVKJF-NOZJJQNGSA-N 320.349 -0.953 50 20 DBGD CNC(=O)NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1323525136 GXSSTDSJPCSGTP-CYBMUJFWSA-N 305.294 -0.685 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)c2c[nH]nc2C)cn1 1325057095 CPRZOYHPFWWHRA-UHFFFAOYSA-N 304.266 -0.630 50 20 DBGD COCC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 1325434241 RDAWTKVEOGACKH-SECBINFHSA-N 304.368 -0.615 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CC(F)(F)F)c1-n1cnnc1 1329334146 LCVMXLASKFCIPU-UHFFFAOYSA-N 317.231 -0.286 50 20 DBGD CCOC(CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OCC 1334907291 PJGHAVMMJHAVKO-VIFPVBQESA-N 316.358 -0.615 50 20 DBGD COCc1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)no1 1340932683 NEUAIVYLOCHMHH-QMMMGPOBSA-N 301.324 -0.294 50 20 DBGD Cc1nn(C)c(N)c1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1343882273 OKHYGOJXKGTIBP-QMMMGPOBSA-N 314.371 -0.869 50 20 DBGD O=C(NCc1cccc(-c2nn[nH]n2)c1)c1ccc(B(O)O)cc1 1593143907 PAILIOZLRZGRDX-UHFFFAOYSA-N 323.121 -0.524 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 1600978438 BPEHRSQHYKTKCW-UHFFFAOYSA-N 306.282 -0.227 50 20 DBGD Cc1ccnc(NNC(=O)C(=O)Nc2c(C(=O)O)cnn2C)c1 1607894836 IRQIVJCFIFNFMN-UHFFFAOYSA-N 318.293 -0.096 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCNC(=O)C1 178672538 MAAKXQZBLKCKRJ-UHFFFAOYSA-N 304.350 -0.883 50 20 DBGD CCc1ccc(C(=O)NN)cc1S(=O)(=O)N1CCOCC1 270196370 DRJAVRYZFANMSI-UHFFFAOYSA-N 313.379 -0.127 50 20 DBGD CC(C)[C@H](O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 291485281 RUBIMRDMRFCJNH-LBPRGKRZSA-N 318.333 -0.289 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C\CN(C)CC(F)(F)F 493040946 VFSKCETZONNHPT-PLNGDYQASA-N 324.303 -0.291 50 20 DBGD CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584938139 XOSCISSFMRDHPW-GFCCVEGCSA-N 304.155 -0.645 50 20 DBGD CC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)C(C)(C)C1 584970347 BAZWGIDGJHWJJQ-UHFFFAOYSA-N 322.145 -0.412 50 20 DBGD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(B(O)O)c1 584972477 XZSDNSXLGRJJEZ-JTQLQIEISA-N 302.139 -0.893 50 20 DBGD O=C(N[C@H]1C[C@H]2CCCCN2C1)c1cc(B(O)O)ccc1F 584997997 NJYOIZOKXFPPRO-NWDGAFQWSA-N 306.146 -0.138 50 20 DBGD CC(=O)N1CC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585050904 PGSPFDOWWLHLQM-NSHDSACASA-N 301.111 -0.248 50 20 DBGD O=C1NCCc2ccc(S(=O)(=O)N3CC[C@H](B(O)O)C3)cc21 585057434 DSRRQGRSPFICSR-JTQLQIEISA-N 324.167 -0.790 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)N1CC[C@H](B(O)O)C1 585070024 VEBKBGPJBDAOTP-QMMMGPOBSA-N 318.185 -0.898 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCCC(=O)N(C)C 748622979 BRBAWNDWBKHZGM-SNVBAGLBSA-N 318.374 -0.763 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccccc1-n1ccnn1 755289028 BRCZYNUXWXEFJH-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H](C)CS(C)(=O)=O)nc1 759739575 QHFRPNAGVRAWQZ-QMMMGPOBSA-N 315.351 -0.008 50 20 DBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)C(C)C 769084706 JXWBMPUZCCMYGH-UHFFFAOYSA-N 318.355 -0.627 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)[C@H]1CN(C)CCO1 770115770 BOVSYNHYWJOXLF-DGCLKSJQSA-N 321.381 -0.326 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)C(C)(C)C 770149383 KMGDAIOONKIWJF-UHFFFAOYSA-N 309.388 -0.864 50 20 DBGD CN(NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)C(N)=O 770439506 HGIHBKJULZDKGY-UHFFFAOYSA-N 311.323 -0.607 50 20 DBGD CO[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 771268086 YRLITXZZCROGNG-BDAKNGLRSA-N 307.372 -0.825 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cc1cnn(CC)c1 780785217 IHIMWMYOPZICIY-UHFFFAOYSA-N 309.370 -0.102 50 20 DBGD CN(CC(=O)N1CCOCC1)S(=O)(=O)CBr 782402599 RSGWFXWQXQQSGR-UHFFFAOYSA-N 315.189 -0.541 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)CC2(CCOCC2)O1 790368776 LCEHKNBJFRAAFV-NSHDSACASA-N 311.382 -0.186 50 20 DBGD COC1(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 790491888 LSOMXSWJCSMQNT-SECBINFHSA-N 319.383 -0.537 50 20 DBGD O=C(CCn1ccccc1=O)NNC(=O)N=c1cc[nH]cc1 802028649 BJWVPSUHNZYFFJ-UHFFFAOYSA-N 301.306 -0.092 50 20 DBGD COCC(=O)NNC(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 825601343 PJIPAZYRZGTTHP-UHFFFAOYSA-N 313.314 -0.410 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)Cc1ccncc1)S(N)(=O)=O 829561448 NXEMLACMDMEULM-JTQLQIEISA-N 314.367 -0.771 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNC(=O)C2CCC2)C1 845418821 DBVLIUCGCVAYNY-VIFPVBQESA-N 304.372 -0.849 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1cn[nH]c1)CN1CCOCC1 858282694 OZZKEGSFVZWHEJ-JTQLQIEISA-N 310.358 -0.678 50 20 DBGD C[C@]1(C(=O)NNC(=O)CS(C)(=O)=O)C[C@@H]1Br 913242425 FHEPPNPKBMDSDI-XNCJUZBTSA-N 313.173 -0.648 50 20 DBGD CC[C@@H](CO)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 916571224 ANXLZARLVBTPLS-JTQLQIEISA-N 310.310 -0.284 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3CNC[C@H]3C2)cc1 917199096 RWXFYTBVHSSIPO-KBPBESRZSA-N 302.378 -0.093 50 20 DBGD NC(=O)[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccc(F)cc1 921208488 DUWWSCDGHFLWIV-LBPRGKRZSA-N 322.340 -0.074 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccncc1F 1252068802 GEONDQCOGQOGEO-ZETCQYMHSA-N 301.299 -0.584 50 20 DBGD Cn1cc(CCC(=O)NNC(=O)CNC(=O)c2ccco2)cn1 1318169276 DQDRMLTWMBQQBH-UHFFFAOYSA-N 319.321 -0.477 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)ncn1 1320347867 WQCSPYKMMROPPT-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD C[C@]1(NNC(=O)C(=O)Nc2ccsc2)CCS(=O)(=O)C1 1324337203 YTGMYTLUJWOBAB-NSHDSACASA-N 317.392 -0.115 50 20 DBGD CN1CCC(CC(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1327665562 FPVZYMHIHIDGCQ-UHFFFAOYSA-N 319.365 -0.101 50 20 DBGD CC(C)(C(=O)NNC(=O)CS(C)(=O)=O)C1CCC(O)CC1 1331736743 QGJKPKOBGSVUKG-UHFFFAOYSA-N 320.411 -0.244 50 20 DBGD CNC(=O)c1cccc(C(=O)NNc2nccnc2OC)n1 1337980437 GGIDYFHGMVVWJO-UHFFFAOYSA-N 302.294 -0.003 50 20 DBGD CCS(=O)(=O)N1CCN(C(=O)NNC(=O)C(C)(C)C)CC1 1341531339 AGEBFQOJQFWJKG-UHFFFAOYSA-N 320.415 -0.259 50 20 DBGD Cc1nn(C)cc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1347526233 GZYRMLFJQWXACM-SNVBAGLBSA-N 300.384 -0.166 50 20 DBGD O=C(NCCCO[C@@H]1CCOC1)NNC(=O)C1CCOCC1 1353034067 GIGJKIGRDOUFFE-GFCCVEGCSA-N 315.370 -0.061 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C12CC(CN1)C2 1580552240 HFCSJBFZWWYKCP-UHFFFAOYSA-N 308.363 -0.623 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cccn(CC(=O)O)c2=O)o1 1594347136 YCDZEMRUGGSONC-UHFFFAOYSA-N 319.273 -0.091 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1F 1602393298 UMODGBQZYALWSD-ZETCQYMHSA-N 317.103 -0.239 50 20 DBGD O=C(O)Cn1cccc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1608799415 NIWVPQQWKYKLQV-SECBINFHSA-N 313.335 -0.543 50 20 DBGD CC(C)(C)OC(=O)N1CC(NC(=O)NNC(=O)C(=O)O)C1 1609660377 JJIFQFJLMFIYJS-UHFFFAOYSA-N 302.287 -0.979 50 20 DBGD Cc1ccc(C(=O)NCCNC(=O)NNC(=O)C(=O)O)cc1 1610484558 KWSLNADGHSVVHX-UHFFFAOYSA-N 308.294 -0.860 50 20 DBGD COCCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349667 GNCQHXSHBIDHDR-JTQLQIEISA-N 304.774 -0.174 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccnc(-n2cncn2)c1 139540226 FAZXIONGPDBFIE-UHFFFAOYSA-N 319.325 -0.357 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCO2 293397750 ODUAVHUHTPBHTC-LBPRGKRZSA-N 319.317 -0.114 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 293525891 YFBWCDULUMCTQJ-JTQLQIEISA-N 321.289 -0.320 50 20 DBGD COC(=O)NCC(=O)NNC(=O)Cc1cn2ccccc2n1 492846052 JZTONVCSKYENDV-UHFFFAOYSA-N 305.294 -0.620 50 20 DBGD O=C1CCc2cc(S(=O)(=O)NCB(O)O)cc3c2N1CCC3 585059576 SSMWPXRTFKQBCD-UHFFFAOYSA-N 324.167 -0.798 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(N2CCOCC2)cc1 727762931 KWOFWFHFFKJPQG-UHFFFAOYSA-N 306.366 -0.154 50 20 DBGD CC(C)C(=O)NNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 745882264 GUIVJBYBDPUOFF-JTQLQIEISA-N 322.369 -0.098 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)N(C)C)c1 746012914 PDQJEWBGTWYDLY-UHFFFAOYSA-N 314.367 -0.099 50 20 DBGD CC(=O)N[C@H](CC(=O)NNC(=O)CO)c1ccc(F)cc1F 753439345 YDHHDDKBBQUJLQ-LLVKDONJSA-N 315.276 -0.328 50 20 DBGD COC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCCC1 754164856 UZOPKPDCKBTCCZ-SECBINFHSA-N 304.368 -0.472 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1C[C@@]12CCOC2 763442397 XCLLMJMKJWTUOW-LKFCYVNXSA-N 307.306 -0.417 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)c2cccnc2c1C 764421330 MISWEAAYEMBLJZ-UHFFFAOYSA-N 316.317 -0.070 50 20 DBGD O=C(CN[C@H](CO)C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 771820469 RNUUSZBCZICURC-GFCCVEGCSA-N 322.321 -0.284 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C1(O)CCOCC1 771942509 ZFKUQRGHLRQLKB-UHFFFAOYSA-N 318.333 -0.055 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(O)cc(C#N)c2)CC1 809796015 YUADYHWDVZDYTO-UHFFFAOYSA-N 303.322 -0.134 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCSC1 810345865 TYTZBGBPMIJLTG-YUMQZZPRSA-N 309.413 -0.785 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)CN1CCOCC1 824016703 PUYMWHNTZJZZOX-NWDGAFQWSA-N 313.398 -0.083 50 20 DBGD Cn1cc(-c2nn[nH]n2)c(NC(=O)NNC(=O)C(C)(C)C)n1 826357141 SSFLNQGZVOEGJU-UHFFFAOYSA-N 307.318 -0.201 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 833246866 SXJPSEHDCMHCPI-ONGXEEELSA-N 321.337 -0.521 50 20 DBGD O=C(CNC(=O)NC1CCCCC1)NNC(=O)c1ncccn1 841445038 HPDGGOBCWCLKLY-UHFFFAOYSA-N 320.353 -0.131 50 20 DBGD N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 845906571 BAXAORADTLEWEH-ZETCQYMHSA-N 315.742 -0.259 50 20 DBGD COc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858090385 NYUOGQCXSWGSRS-NSHDSACASA-N 320.349 -0.153 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 868120248 DUUYIRRKAAMOBF-UHFFFAOYSA-N 323.401 -0.954 50 20 DBGD CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 912691833 INAZAJHMGWXYBI-UHFFFAOYSA-N 301.280 -0.221 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCO[C@@H]1CCOC1 927532213 WBEQGMLKOOLRFL-AXFHLTTASA-N 301.343 -0.453 50 20 DBGD CC(C)(C)NC(=O)[C@H]1CCCN1CC(=O)NNC(=O)C1CC1 932440725 OHTVDUJVFPQYJM-LLVKDONJSA-N 310.398 -0.077 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1118274626 INBKNPFGATWTBR-DTWKUNHWSA-N 306.322 -0.373 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)NCC(F)(F)F 1317935133 NCOYCRINEHZVKX-UHFFFAOYSA-N 301.294 -0.685 50 20 DBGD CC(C)OCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319917714 ITDGDPBVAMOOKK-VIFPVBQESA-N 307.372 -0.681 50 20 DBGD CC1CCN(CCC(=O)NNC(=S)NCC(N)=O)CC1 1325831860 ATUDKJRBOVIKFQ-UHFFFAOYSA-N 301.416 -0.911 50 20 DBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1325940390 IDUBLBQROZHDRE-VHSXEESVSA-N 301.368 -0.418 50 20 DBGD O=C(NCCN1CCCC1=O)NNC(=O)c1cccc(F)n1 1328616187 TWCDQMDYNRYFES-UHFFFAOYSA-N 309.301 -0.213 50 20 DBGD CN1CCN(C(=O)NNC(=O)COCc2ccncc2)CC1 1329219448 TYSQNWPMWBVNNU-UHFFFAOYSA-N 307.354 -0.414 50 20 DBGD COCCn1ccc(NC(=O)C(=O)NN=c2cc[nH]c(C)c2)n1 1329493377 ASUWFFCUDBBTOM-UHFFFAOYSA-N 318.337 -0.263 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1nc(C)no1 1330902451 NGVVSROSTRXHTB-ZETCQYMHSA-N 301.303 -0.740 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@@]12CCNC2 1574300398 LISKLOVFHVHRJT-LKFCYVNXSA-N 322.390 -0.375 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccccc1C(=O)O 1593353016 KOXBWMGZGFBUCO-SSDOTTSWSA-N 301.324 -0.234 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(C(=O)O)n(C)n1 1594645444 RUWGXHQHNGTEOQ-BQBZGAKWSA-N 311.298 -0.304 50 20 DBGD Cc1nn(CCC(=O)O)c(C)c1C=NNC(=O)c1cn(C)nn1 1600784235 CVAUIPVRQUMWCH-UHFFFAOYSA-N 319.325 -0.133 50 20 DBGD O=C(O)Cc1ccc(CNC(=O)c2ccc(B(O)O)cc2)cc1 1608776539 PZFJITOXILIRIE-UHFFFAOYSA-N 313.118 -0.077 50 20 DBGD O=C(CCO)NN=C1CCCc2cc(-c3nn[nH]n3)cnc21 1609524325 JPEAQVFWBROKBJ-UHFFFAOYSA-N 301.310 -0.199 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)cc(F)c1 264107134 IPJBCKFRSGZQLE-ZCFIWIBFSA-N 321.305 -0.337 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)Cn1cccn1 267131922 CTBPBQUIUYSSPD-MNOVXSKESA-N 313.358 -0.347 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)c1cccs1 273552757 ZAWXEHBEXIPLRH-JGVFFNPUSA-N 319.408 -0.063 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 281256966 ORXXIJKBZNLSFT-AWEZNQCLSA-N 324.406 -0.411 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1cccc(F)n1 286533535 ICHBPGNPPQRBGQ-UHFFFAOYSA-N 320.346 -0.380 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)c1cccc(OC)c1O 299258934 GHBXYLXPZFERHK-UHFFFAOYSA-N 311.294 -0.092 50 20 DBGD CCCCn1nc(C(=O)Nc2cccc(B(O)O)c2)ccc1=O 404947187 OXEZIFLMERYSBV-UHFFFAOYSA-N 315.138 -0.025 50 20 DBGD COCCCNC(=O)NNC(=O)/C=C\c1cnc(OC)nc1 493159138 PPNOPYUCDJDKNC-PLNGDYQASA-N 309.326 -0.135 50 20 DBGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CO)C1 494538362 HKZPQCRVPHLRBU-VIFPVBQESA-N 301.343 -0.227 50 20 DBGD COC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C 496756750 UDCQXNZWEZHCDC-JTQLQIEISA-N 311.342 -0.130 50 20 DBGD C[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@]2(CCOC2)O1 584983938 PRPJBSAVARPZGU-MEBBXXQBSA-N 323.129 -0.475 50 20 DBGD CC(C)CN1CCO[C@H](CNCc2cccc(B(O)O)c2)C1 585016755 YFZAOKICFPSOAY-MRXNPFEDSA-N 306.215 -0.187 50 20 DBGD OC[C@H](C[C@H](O)c1ccccc1)NCc1ccc(B(O)O)o1 585035924 ZWNVPINCKJXRMV-JSGCOSHPSA-N 305.139 -0.466 50 20 DBGD Cc1cccc(-c2nnc(S)n2CC(=O)NCB(O)O)c1 585060970 MVGYFNVZLYBSHC-UHFFFAOYSA-N 306.156 -0.330 50 20 DBGD O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](B(O)O)C1 585068489 BODVNJMHSPBDOG-LSDHHAIUSA-N 318.182 -0.037 50 20 DBGD Cn1cc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)cn1 725997869 ATTPKHQLJADBQK-UHFFFAOYSA-N 316.317 -0.033 50 20 DBGD CCOCC(=O)NNC(=O)NCC(C)(C)N1CCN(C)CC1 731280451 XTZSAMVBZMZUPV-UHFFFAOYSA-N 315.418 -0.621 50 20 DBGD CC(C)(C(=O)NNC(=O)NCc1ccco1)S(C)(=O)=O 733139848 SOLKUUQLPAAASJ-UHFFFAOYSA-N 303.340 -0.067 50 20 DBGD Cn1ccnc(NNC(=O)CNC(=O)c2cccs2)c1=O 747942037 SFOBSIKHXIZJPI-UHFFFAOYSA-N 307.335 -0.285 50 20 DBGD NC(=O)c1ccc(NNC(=O)C2(C(=O)NC3CC3)CCC2)nn1 757392087 KFKCAJPZNLJWPX-UHFFFAOYSA-N 318.337 -0.533 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 759773759 QIMGSJARJJWNOL-IUCAKERBSA-N 300.359 -0.214 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cnc(C2OCCO2)s1 761826640 FQFGUPGISXBIKM-UHFFFAOYSA-N 314.323 -0.005 50 20 DBGD CC(C)(C(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 767489050 FNZVQIDWUAFWPZ-UHFFFAOYSA-N 307.306 -0.270 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCC[C@H](S(C)(=O)=O)C1 770000356 CAFZAYAPHRYBHH-MNOVXSKESA-N 319.427 -0.169 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN1CCCC1=O 771970661 ZNGRJPDBUGDHPV-JTQLQIEISA-N 313.354 -0.266 50 20 DBGD COc1cccc(NNC(=O)[C@H]2CCCN2S(C)(=O)=O)n1 780770211 LVDLYFNFWCDGSX-SECBINFHSA-N 314.367 -0.043 50 20 DBGD COCCN1CC[C@@H](NS(=O)(=O)CBr)C1 780866363 SUPQPDJLUBREMH-MRVPVSSYSA-N 301.206 -0.021 50 20 DBGD CC(=O)NC[C@H]1CN(S(=O)(=O)CBr)CCO1 782445589 ZRLQXYCSNFCKEU-QMMMGPOBSA-N 315.189 -0.495 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1nc(C)cc(C)n1 784129368 PYIKVHMFIZBUGH-UHFFFAOYSA-N 302.360 -0.731 50 20 DBGD Cn1ncc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 785681484 AICDNKXYQGIOLM-NSHDSACASA-N 303.278 -0.584 50 20 DBGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)CO)C2)c1 792659201 ZVEXWQDMLJHEHV-LBPRGKRZSA-N 323.305 -0.664 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)CCc1cccs1 811680736 WOACNFNFAUPSLX-UHFFFAOYSA-N 319.408 -0.234 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H](C(=O)N(C)C)C1 827260675 VESNDLAIKZBLNR-DCAQKATOSA-N 312.370 -0.438 50 20 DBGD O=C(O)Cn1cc(S(=O)(=O)NNC(=O)C2CCC2)cn1 833275130 SNYNXOWYGFDNER-UHFFFAOYSA-N 302.312 -0.923 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1ccc(C(=O)O)nc1 833502478 BXDPHCDTWGJUBJ-UHFFFAOYSA-N 302.312 -0.319 50 20 DBGD CCNCCNC(=O)NNC(=O)COc1ccccc1C#N 841934570 AQOWUGJXRAEQIE-UHFFFAOYSA-N 305.338 -0.123 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)N1 845472364 PYWPSIURFGBOCT-VIFPVBQESA-N 313.335 -0.852 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(OC)c(-n2cnnn2)c1 854922276 DJLKJYKMIJREQG-UHFFFAOYSA-N 321.366 -0.248 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(C)c(S(N)(=O)=O)c1 854928317 SNYNFXZJFKVWJB-UHFFFAOYSA-N 316.408 -0.277 50 20 DBGD Cc1cccnc1CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858514971 YKLGHXBTLVQUHB-GFCCVEGCSA-N 319.365 -0.068 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858602070 PLNYCDJPISWJIQ-ZJUUUORDSA-N 311.386 -0.532 50 20 DBGD C[C@@H]1CSCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858698763 AAQSKFZCOKWZSK-IUCAKERBSA-N 300.384 -0.309 50 20 DBGD C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)CS(C)(=O)=O 863463930 ZMJLSBJOFYOWPZ-NXEZZACHSA-N 306.384 -0.226 50 20 DBGD C[C@H](NC(=S)NNC(=O)c1cccc(B(O)O)c1)C1CC1 863886793 NDMONUCKWNPUTN-QMMMGPOBSA-N 307.184 -0.726 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)c2cnn(C)c2)cn1 865936688 OWQDPFAVTMDAQX-UHFFFAOYSA-N 305.342 -0.747 50 20 DBGD N[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CC[C@H]1C(F)(F)F 903541184 SRIISXMDELBEIZ-RKDXNWHRSA-N 308.304 -0.245 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCOC2)c1 921151491 MCMLFLLMTZLTNV-JTQLQIEISA-N 312.347 -0.112 50 20 DBGD CCNC(=O)N(C)NC(=O)CNS(=O)(=O)c1ccccc1 1117678999 OPJARTUDYNDKGG-UHFFFAOYSA-N 314.367 -0.343 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)N2CCOCC2)c(O)n1 1320704485 AFQIKQSMFVGCNT-UHFFFAOYSA-N 309.326 -0.585 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2c[nH]nc12 1329397489 LNGRALXVLMILKJ-MRVPVSSYSA-N 309.351 -0.049 50 20 DBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@@H](B(O)O)C3)cnc2c1 1330261663 HBRHCZOGLOXTNP-SNVBAGLBSA-N 301.111 -0.308 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)c1cn(C2CCOCC2)nn1 1347999645 VJMKEVHSRTXRJQ-UHFFFAOYSA-N 305.298 -0.573 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1[C@@H]2CC[C@H](N2)[C@H]1C(=O)OC 1574943910 SVXXSMYCSZCKLZ-AATLWQCWSA-N 312.395 -0.793 50 20 DBGD N[C@@H]1CCC[C@H]1CC(=O)NNC(=O)C(=O)Nc1ccccn1 1580378719 XTBYJHKUNZONDV-VHSXEESVSA-N 305.338 -0.315 50 20 DBGD CCOC(=O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1590760091 ONXKGADYJIJWHP-UHFFFAOYSA-N 318.293 -0.419 50 20 DBGD CC(C)C[C@@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)O 1591174039 URBRRLWNEIWRCU-GFCCVEGCSA-N 309.127 -0.639 50 20 DBGD Cc1nc(CNC(=O)NNC(=O)C(=O)O)nc2ccccc12 1600701182 OVIRVNIKIHHRQP-UHFFFAOYSA-N 303.278 -0.147 50 20 DBGD NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl 1802340532 AYQKOXXMUJVROD-KZVJFYERSA-N 323.224 -0.286 50 20 DBGD CC(C)CC(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 48441327 VLSUCYFIKLWEPW-JTQLQIEISA-N 305.400 -0.701 50 20 DBGD O=C1CCC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)N1 270303401 QRHCIJPDGKQAJY-JTQLQIEISA-N 319.317 -0.113 50 20 DBGD CSCCNC(=S)NNC(=O)CN1CSCC1=O 271311578 SNHNTFHJTDBYGF-UHFFFAOYSA-N 308.454 -0.622 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(CC#N)c1 273540289 WVALMALZZBKEID-SECBINFHSA-N 324.362 -0.549 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCN1C1CC1 278635291 LCVALJKRRDYJEM-NSHDSACASA-N 320.349 -0.216 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)CCOc2ccccc2)O1 279902200 WBRMSRHXVVVZNO-NEPJUHHUSA-N 321.333 -0.364 50 20 DBGD Cc1nn(C)c2ncc(C(=O)NNC(=O)N3CCOCC3)cc12 299329114 BQLROMDJUQKURW-UHFFFAOYSA-N 318.337 -0.037 50 20 DBGD CCO[C@H](CCN(C)C)CNCc1ccc(B(O)O)cc1F 585033982 LNYPJUJKKNKGIZ-CQSZACIVSA-N 312.194 -0.048 50 20 DBGD CNC(=O)[C@H](Cc1ccccc1)NCc1ccc(B(O)O)o1 585038169 VBRAYLXPTAMSRP-ZDUSSCGKSA-N 302.139 -0.594 50 20 DBGD CC(C)[C@H](C(=O)NCB(O)O)S(=O)(=O)C1CCCCC1 585059520 QKAHLTVOFKICHS-LLVKDONJSA-N 305.205 -0.113 50 20 DBGD O=C(NCc1cccc(CO)c1)NNC(=O)C(=O)N1CCCC1 729621286 HPRXEVYQIQWYKL-UHFFFAOYSA-N 320.349 -0.368 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)CNC(=O)c1cccs1 754997547 VRUDWBKJPXGOGV-GFCCVEGCSA-N 315.351 -0.977 50 20 DBGD C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(C(N)=O)nn1 757404315 ORNQEUHTVZEMEI-DTWKUNHWSA-N 309.326 -0.397 50 20 DBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC)cn1C 763442577 YCGRONLIEVQBKH-UHFFFAOYSA-N 310.310 -0.302 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)ncn2C 764318691 YRYMHMRWXUSRHX-UHFFFAOYSA-N 319.321 -0.304 50 20 DBGD CN(NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(N)=O 778417185 PXMDZMXVHWRGMI-UHFFFAOYSA-N 323.265 -0.638 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)N=c1cc[nH]cc1 802036157 QWADSOKHBJOEAQ-QMMMGPOBSA-N 321.366 -0.035 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](CC(N)=O)C2)c1 808774957 HNSXPGNEAWZRQX-LBPRGKRZSA-N 318.377 -0.047 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(CCO)C[C@H](C)O)c1 810039961 KHHOLGPCSPYZKB-LBPRGKRZSA-N 309.366 -0.569 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)S1(=O)=O 810112029 HDZMDYLOAXQYIG-IUCAKERBSA-N 303.384 -0.949 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)N(C)C)n1N 813427773 MUYSIWQJYLFNLH-UHFFFAOYSA-N 301.376 -0.661 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ncncc1F 817080473 PWUGZVOVDGHMBS-JTQLQIEISA-N 324.316 -0.814 50 20 DBGD C[C@@H](CNS(=O)(=O)CCl)N(C)S(=O)(=O)CCl 831468076 KTCHHKIZXXUYQN-LURJTMIESA-N 313.228 -0.052 50 20 DBGD NC(=O)C(=O)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 839385481 SDFRVNMVHKLHJJ-UHFFFAOYSA-N 315.289 -0.217 50 20 DBGD CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ncccn1 841354017 JIKDJTQNVSOEGA-SECBINFHSA-N 323.378 -0.061 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 843973612 YSOFGRFJIMXOMS-CABZTGNLSA-N 321.333 -0.306 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCC(=O)N1C 854283966 RKEOVEPTGRVIHN-SECBINFHSA-N 302.400 -0.519 50 20 DBGD Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858696936 LUDFUDKAOKIRLT-VXGBXAGGSA-N 320.349 -0.363 50 20 DBGD CCOc1cccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862460021 YTPIQWNRWAQACM-JTQLQIEISA-N 306.322 -0.551 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COCCc1ccccc1 863460887 OCSKCWADVOFRKU-UHFFFAOYSA-N 314.363 -0.562 50 20 DBGD COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC[C@H](B(O)O)C1 864232013 VGWVHTSBECQAQA-HBNTYKKESA-N 319.188 -0.403 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)N1CCOCC1 900426813 MQKJTHTUHKCLFJ-UHFFFAOYSA-N 310.358 -0.869 50 20 DBGD O=C(C[C@@H]1CC(=O)N1)NNc1ncc(Br)cn1 1118713241 AOMCQGBPIUKRIX-LURJTMIESA-N 300.116 -0.039 50 20 DBGD O=C(NNS(=O)(=O)c1cnc[nH]1)c1n[nH]c2c1CCCC2 1318612009 SFZVXEPKMRHQPS-UHFFFAOYSA-N 310.339 -0.365 50 20 DBGD COc1ccc(NNC(=O)C(=O)Nc2cncnc2OC)nc1 1320846622 SLMVYQXTLSXPTQ-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(SC)c1 1326090112 VBEGCNAGSXYYSY-UHFFFAOYSA-N 311.319 -0.333 50 20 DBGD O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CC[C@H](B(O)O)C1 1329214765 KCVSHGVCZKUYKN-UWVGGRQHSA-N 315.160 -0.918 50 20 DBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1ccnc1 1329597166 OKPCQNJVWIBNAO-NXEZZACHSA-N 314.367 -0.584 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1[N+](=O)[O-] 1329644320 IFYJZJUQLUWGQI-QMMMGPOBSA-N 322.277 -0.357 50 20 DBGD O=C(NNC(=O)c1cn(C2CCOCC2)nn1)c1cn[nH]c1 1336669635 KXNMOZKTIBAFQG-UHFFFAOYSA-N 305.298 -0.573 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1COC2(CCCC2)O1 1337192320 NFISKRNDNCQGJZ-MRVPVSSYSA-N 301.299 -0.825 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 1337969538 RKGRVYJWGJYIKV-UHFFFAOYSA-N 317.309 -0.596 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CC[C@H](O)CC1 1341061663 SMSXXZSVIUXEDG-MGCOHNPYSA-N 324.337 -0.357 50 20 DBGD O=C(NCCN1CCC2(C1)OCCO2)NNC(=O)C1CCC1 1346168386 ALPASHGCVMIUSR-UHFFFAOYSA-N 312.370 -0.434 50 20 DBGD CC(C)NC(=S)NNC(=O)C1([S@@](C)=O)CCNCC1 1575721957 COMLQRXUTJCCEB-LJQANCHMSA-N 306.457 -0.609 50 20 DBGD C[C@]1(C(=O)NNc2ccc(S(C)(=O)=O)cc2)CNCCO1 1576350262 MZDBRYDYIYOYPC-CYBMUJFWSA-N 313.379 -0.088 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)[C@@H](N)CCS(C)(=O)=O 1579788795 SVEHPWOAUDALPN-NSHDSACASA-N 313.379 -0.482 50 20 DBGD Cc1cc(NNC(=O)c2ccc(-c3nn[nH]n3)nc2)nc(N)n1 1581034470 KQNYMQJLIRFUOD-UHFFFAOYSA-N 312.297 -0.301 50 20 DBGD C[C@H](C(=O)NNc1ccccn1)n1cnc(-c2nn[nH]n2)n1 1589000314 XWTCSOYDTVANOR-SSDOTTSWSA-N 300.286 -0.443 50 20 DBGD O=C(O)c1ccccc1CS(=O)(=O)N1CC[C@@H](B(O)O)C1 1602469199 JCZKYTDONUAUBW-SNVBAGLBSA-N 313.140 -0.237 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCOC[C@H]1CC(=O)O 1603300892 CIAVPNXMORMRAC-SECBINFHSA-N 301.343 -0.645 50 20 DBGD O=C(NCCCc1nnc2n1CCCCC2)NNC(=O)C(=O)O 1610693281 ZECLDEZNVIXXKE-UHFFFAOYSA-N 324.341 -0.648 50 20 DBGD Cn1cc(C(=O)O)cc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1776027836 KZNAJZUQKKOZMP-QMMMGPOBSA-N 313.335 -0.392 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)N1CCCC1=O 106417315 IETHHMDHQBSMCU-ZDUSSCGKSA-N 307.354 -0.253 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 276668122 UNHWSVUVUMCLDA-NEPJUHHUSA-N 321.333 -0.446 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)n1 292766432 GGPCLXCFBKPGHO-NSHDSACASA-N 308.338 -0.716 50 20 DBGD COCCN(C)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 293495596 BBDPPUZUBXLLAM-UHFFFAOYSA-N 314.367 -0.907 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 490894591 PLAXLTLGXHUZCD-UHFFFAOYSA-N 312.311 -0.398 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)OC(C)(C)C 495084288 FGZDYLIAIQDIGI-IONNQARKSA-N 301.343 -0.182 50 20 DBGD CC(C)[C@H](CNC(=O)c1cccc(B(O)O)c1)N1CCOCC1 584928810 MQPFGWNNPJLRFB-HNNXBMFYSA-N 320.198 -0.547 50 20 DBGD O=C(N[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1)C1CCC1 584943544 JJJQJMCTXASUSX-AWEZNQCLSA-N 316.166 -0.503 50 20 DBGD CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](O)C(F)(F)F 584969244 SIKJCIUJYLRHPQ-NXEZZACHSA-N 305.061 -0.202 50 20 DBGD CC(C)n1ncnc1CNC(=O)c1ccc(B(O)O)c(F)c1 584985931 SQLAAFKVRVVDCS-UHFFFAOYSA-N 306.106 -0.392 50 20 DBGD OB(O)c1ccccc1CNC1CCN(C[C@@H]2CCOC2)CC1 585024770 CGDYCZZOWLLPSY-AWEZNQCLSA-N 318.226 -0.043 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)NC1CCCC1 729156556 WTPBNDNVLRHYPU-UHFFFAOYSA-N 308.429 -0.348 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2c(c1)NC(=O)CO2 755290770 WUJIDIHPFDLMGE-UHFFFAOYSA-N 316.277 -0.861 50 20 DBGD CCOc1ncccc1NC(=O)C(=O)NNC(=O)CN(C)C 764212037 OQWSHISWAZGMSM-UHFFFAOYSA-N 309.326 -0.872 50 20 DBGD Cc1nc(CC(=O)NN=Cc2cn(CC(=O)O)nn2)cs1 768477132 UVHYQRWTUIYPEZ-UHFFFAOYSA-N 308.323 -0.180 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1nc2ccccc2[nH]1 768514826 MMNVULBDCKLXTO-UHFFFAOYSA-N 323.378 -0.264 50 20 DBGD CSCCNC(=S)NNC(=O)CCN1CCCC1=O 769768453 KUZWRBRTBBEKAR-UHFFFAOYSA-N 304.441 -0.143 50 20 DBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)N1CCN(C)CC1 788167112 VETQQJGCOHHWIF-NEPJUHHUSA-N 314.386 -0.441 50 20 DBGD NC(=O)c1ccccc1NCC(=O)NNC(=O)c1ccc[nH]1 798152803 DIROMUFTRIAMSX-UHFFFAOYSA-N 301.306 -0.013 50 20 DBGD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)Cc1ccncc1 799398872 VPCJZQVNIQYCTL-BXKDBHETSA-N 305.338 -0.521 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)COc1ccc(F)cc1 807553844 ZRNLYXWDGASPGW-UHFFFAOYSA-N 323.284 -0.825 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1nc(C2CC2)nn1C 829913857 NILRRCXRCOENBJ-QMMMGPOBSA-N 323.353 -0.276 50 20 DBGD COc1cc(C)nc(NNC(=O)c2nc(N)nc(N(C)C)n2)n1 846637296 XDLBPXBOKGSJCJ-UHFFFAOYSA-N 319.329 -0.616 50 20 DBGD COc1cc(CCC(=O)NNC(=O)N2CCN(C)CC2)on1 854381191 GFVMTUWBFOWNRP-UHFFFAOYSA-N 311.342 -0.396 50 20 DBGD CNC(=S)N(C)NC(=O)CNC(=O)c1cccc(OC)c1 854929865 VZJJVGIKKUXUED-UHFFFAOYSA-N 310.379 -0.108 50 20 DBGD O=C1N[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCO1 858122521 WNDQDXIIVNMRNL-GZMMTYOYSA-N 321.289 -0.528 50 20 DBGD COc1ccc(F)cc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862459712 ARUNKBSNEDTDCM-JTQLQIEISA-N 309.297 -0.197 50 20 DBGD O=C1CC[C@@H](C(=O)NN=C2CS(=O)(=O)Cc3ccccc32)N1 863151211 IKBLRDFSFCUVFW-NSHDSACASA-N 321.358 -0.286 50 20 DBGD C[C@@]1(C(=O)NNc2ccccc2S(C)(=O)=O)CNCCO1 876656003 BQQYJUXBBYQZAH-ZDUSSCGKSA-N 313.379 -0.088 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cccn2nnnc12 899992579 GBVNEVRVQSQIEJ-UHFFFAOYSA-N 323.382 -0.388 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)CC(F)(F)F 918066547 BKHQBXQYVJEIDI-UHFFFAOYSA-N 320.293 -0.792 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(S(C)(=O)=O)CC1 1116858911 OTGJFCRMSCGIRX-UHFFFAOYSA-N 319.383 -0.984 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1119581885 ONTKGVNLEAUQSI-XLPZGREQSA-N 318.317 -0.447 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2cnn(C)c2)cc1 1254889020 SBEXFADKESFVEJ-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 1261835511 YEXZLXBCZBOJMO-ULKQDVFKSA-N 316.379 -0.426 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCO1 1319726130 CXDRDQIWFZCSLQ-JFGNBEQYSA-N 305.400 -0.065 50 20 DBGD Cc1nscc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319957354 ZRXZMEOWSVTHCP-ZETCQYMHSA-N 303.365 -0.353 50 20 DBGD O=C(NN=Cc1cnc(C2OCCO2)s1)C(=O)NC1CC1 1320761151 BTAATUKPRIQMOB-UHFFFAOYSA-N 310.335 -0.083 50 20 DBGD Cc1c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cnn1C 1324358623 WIMDXVMSQLLAJV-JTQLQIEISA-N 300.384 -0.166 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CC2 1326074087 GHOHKHAZANVOOO-LURJTMIESA-N 320.275 -0.187 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 1326866329 QDBOMFDIYLNNKK-JTQLQIEISA-N 307.354 -0.252 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cn[nH]c1 1330108396 ODNDJGOPZQBLBB-MRVPVSSYSA-N 318.380 -0.909 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cnc(C(C)C)[nH]1 1330729736 HEPZVBIMHYCAEY-UHFFFAOYSA-N 317.371 -0.633 50 20 DBGD CN(C)N(C(=O)CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1339427221 HBCWGWONCJSVLO-NSHDSACASA-N 300.384 -0.165 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2C[C@H](N)C2)c2ccccc2c1=O 1579989815 PFRIWWIZTNSSHC-KYZUINATSA-N 315.333 -0.568 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2ncon2)cc1-c1nn[nH]n1 1581171157 VQPRALPUTLDKOJ-UHFFFAOYSA-N 314.265 -0.367 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)O 1589693726 ZELPNCHFPILDCS-PSASIEDQSA-N 301.343 -0.910 50 20 DBGD COC(=O)C(=O)NN[C@H](C(=O)O)c1cccc(C(=O)OC)c1 1598684312 IPWAZPWTTQLBEW-VIFPVBQESA-N 310.262 -0.607 50 20 DBGD CC[C@@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)C(=O)O 1603560475 ANVCVXXFVNQDKQ-QMMMGPOBSA-N 323.309 -0.539 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2cn(CC(=O)O)nn2)cc1 1604763953 RNIZCYNDJYYVFB-UHFFFAOYSA-N 319.277 -0.554 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cn(CC(=O)O)nn2)c(O)c1 1605252835 KULXUWYTXWZPJW-UHFFFAOYSA-N 319.277 -0.548 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@@](O)(C(=O)O)C2)cc1 1607733595 QVVWGJPWRZNFGF-HNNXBMFYSA-N 321.333 -0.723 50 20 DBGD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCl 1608703151 MAHPWENNQOVHMF-LURJTMIESA-N 305.761 -0.914 50 20 DBGD NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1 1778022246 BQJPNXLSPUSSSG-SUZMYJTESA-N 321.780 -0.007 50 20 DBGD CC(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558566 NYPAVRPAJWSXCK-FIQHERPVSA-N 318.801 -0.195 50 20 DBGD O=C(COC(=O)C1=COCCO1)NNC(=O)c1ccccc1 3536378 TUEIGOMNHQRJHV-UHFFFAOYSA-N 306.274 -0.121 50 20 DBGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1ccccc1O 43308900 MJCCJYMKWJHIFW-UHFFFAOYSA-N 306.322 -0.138 50 20 DBGD Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)CN(C)C 176287247 FQJJQXAYQROWBF-UHFFFAOYSA-N 306.326 -0.294 50 20 DBGD COc1cccc(C(=O)NNS(=O)(=O)N2CCCC2)c1O 266001146 DPTWIBHTJOBSRJ-UHFFFAOYSA-N 315.351 -0.024 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCN2C(=O)CCC2=O)o1 267756142 QASMEJSWYMJEAM-UHFFFAOYSA-N 308.294 -0.319 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)cc1OC 276093869 UTTGOEDWVVOKDP-UHFFFAOYSA-N 317.323 -0.396 50 20 DBGD O=C(CC1CC1)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 294250485 SVAWFMDBKGAQIY-RQSQLSILSA-N 321.333 -0.904 50 20 DBGD O=C(CC1CC1)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 294264145 UOSGMNCCVJDALF-LBPRGKRZSA-N 324.362 -0.336 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCCO2)[C@H](C)n2ncnc2N1C 294732457 UGWXDDPAGDDFTC-UWVGGRQHSA-N 320.353 -0.111 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NNC(=O)c2cnn[nH]2)cc(C#N)n1C 490637369 GYRMDQYREUWKEH-XCVCLJGOSA-N 324.304 -0.309 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)c1cccc(OC)c1O 491274226 SVXHQVORXMBBJW-UHFFFAOYSA-N 311.294 -0.092 50 20 DBGD CCOC(=O)NNC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 495311403 FTSAYVPTGXWGBV-UHFFFAOYSA-N 305.294 -0.038 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN(C(=O)OC)CC1 495899605 UAWXQDFIQNHDML-UHFFFAOYSA-N 302.331 -0.416 50 20 DBGD CC(C)[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CCN1C 584980824 MCDQJHBQSAQWTH-AWEZNQCLSA-N 308.162 -0.082 50 20 DBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccncc1 733252239 JTDLVOXLMUGPGN-SNVBAGLBSA-N 314.367 -0.584 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 734807510 SSGDNDUSAXYTJK-UHFFFAOYSA-N 312.351 -0.563 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(NC(N)=O)c2)cn1 735470665 GUXGUOKBVNGXCH-UHFFFAOYSA-N 302.294 -0.015 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 738466288 BQTNEYAYJYWXFU-NSHDSACASA-N 301.306 -0.267 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccc(F)cc2F)C1=O 748271608 UOLNDQTZLVJMKR-UHFFFAOYSA-N 312.232 -0.172 50 20 DBGD O=C(CO)NNC(=O)CCC(=O)c1ccc2c(c1)OCCO2 753722156 WAWMDWUBJPZHOC-UHFFFAOYSA-N 308.290 -0.440 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CCCCO1 758040398 PFDNCFQTKYXPON-RKDXNWHRSA-N 307.372 -0.969 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCO2 764317809 RWQBLILSJDTSFD-UHFFFAOYSA-N 307.306 -0.256 50 20 DBGD CCOc1cnc(C(=O)NNC(=O)C(=O)NC(CC)CC)cn1 777805399 YMLOXEFMTPTQMH-UHFFFAOYSA-N 323.353 -0.059 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2cccc(O)c2)cn1 778861878 ZABHZTYGJOZSEQ-UHFFFAOYSA-N 317.305 -0.683 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)cnc1Cl 787889072 JSRGPFJDGFAOKB-UHFFFAOYSA-N 300.702 -0.224 50 20 DBGD Cn1cnc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 809949784 ARUDQRYRYLUCLQ-SNVBAGLBSA-N 303.278 -0.584 50 20 DBGD C[C@](O)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCC1 813419752 BDYLCPOVTDQQGI-BXKDBHETSA-N 319.383 -0.945 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(CO)ccc1O 814835717 ZMYMHTHAQQXCKJ-MRVPVSSYSA-N 315.351 -0.728 50 20 DBGD C[C@H](CO)N(C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 823993131 LQQDXQVMYYBPPR-IJLUTSLNSA-N 311.382 -0.105 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 831854276 UGYRUAJSHOGQLW-SNVBAGLBSA-N 320.415 -0.215 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)NC[C@H](C)CN)cc1 841963394 RBRJHBFALZMOOS-SNVBAGLBSA-N 310.354 -0.001 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CNCCO1 842012597 ZSNGHEOEFZNIHL-ZDUSSCGKSA-N 322.365 -0.226 50 20 DBGD C[C@@H](CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)NC(N)=O 847679120 XFLVVLPNDOJLMA-ZETCQYMHSA-N 317.346 -0.895 50 20 DBGD CCCN1CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858104172 ASLDLYHGJYGYAA-NSHDSACASA-N 311.386 -0.530 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=S)NC[C@@H]2CCCCO2)N1 863203290 CZYKGKHVGSPUGA-IUCAKERBSA-N 300.384 -0.671 50 20 DBGD COC(=O)N1CCC(CNC(=O)c2cccc(B(O)O)c2)CC1 863881669 BTTLGNWUWNRIBW-UHFFFAOYSA-N 320.154 -0.425 50 20 DBGD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNC(=O)C(C)C 1116619167 RIEKZLYWJGXUBT-UHFFFAOYSA-N 306.322 -0.164 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1([S@@](C)=O)CC1 1116920936 QDWLFBNBRNHKTI-AOUSDQRYSA-N 321.399 -0.721 50 20 DBGD COCCOCC(=O)NNC(=O)c1c2ccccc2nn1C 1118980425 HOPUYUOGVQOPJE-UHFFFAOYSA-N 306.322 -0.003 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)c2ccccc2O)cnn1C 1320510871 RDOUZQNSUCNTDW-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccccc1SCC(N)=O 1321194873 RBFKNOUKVTVRNB-UHFFFAOYSA-N 311.363 -0.204 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 1324884194 LKFSCSRCSLRXBT-UHFFFAOYSA-N 304.306 -0.299 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cnnn1C 1327545811 USHZVIAWEBTJRP-UHFFFAOYSA-N 316.321 -0.548 50 20 DBGD C[C@](O)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 1328803242 AUHSGGUHVUKIBV-SDBXPKJASA-N 310.310 -0.904 50 20 DBGD CN(C)C(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1329172826 PTPOZDDMQGATFN-LLVKDONJSA-N 318.333 -0.572 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1conc1C1CC1 1329962472 HEPMIXDTICPMNI-LURJTMIESA-N 316.339 -0.749 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1[nH]c(O)nc1C 1330817886 PPWAOIYBDRWCJO-UHFFFAOYSA-N 300.315 -0.026 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1cccc(C#N)c1 1345895747 ZFMYDMJMOXXHJZ-BXUZGUMPSA-N 313.361 -0.292 50 20 DBGD O=C(NC[C@H]1Cc2ccccc2CN1)NNC(=O)c1ncon1 1580670375 FKYDUWGVKUPBFO-LLVKDONJSA-N 316.321 -0.272 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1590336537 IJRXHPCYKIKIFP-YUMQZZPRSA-N 319.325 -0.609 50 20 DBGD O=C(C[C@@H]1CC(=O)NC1=O)NNc1cccc(-c2nn[nH]n2)c1 1592809980 AXYUOZGWTSDOBR-QMMMGPOBSA-N 315.293 -0.637 50 20 DBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNc1ccccc1C(=O)O 1601264325 GOLGHYZOYKPMPO-VIFPVBQESA-N 306.278 -0.184 50 20 DBGD CN1CC(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)C1 1841354083 HYDLUGQNZNMGCL-NSHDSACASA-N 315.801 -0.649 50 20 DBGD C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)C(=O)NC1CC1 54371071 SUIGWJMRMIEZFU-SSDOTTSWSA-N 324.362 -0.708 50 20 DBGD CNC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1F 139308088 QOIZQGFKMWFQCO-UHFFFAOYSA-N 318.330 -0.546 50 20 DBGD CCNC(=O)NC1(C(=O)NNC(=O)c2cnn(C)c2)CCCC1 265531519 FPKVVRQRYFDOAV-UHFFFAOYSA-N 322.369 -0.187 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccn1 272432670 LOBAQPLUXFNQRN-KWQFWETISA-N 306.322 -0.882 50 20 DBGD C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 282343942 ZUZGTNKUMGAOBQ-YGOYTEALSA-N 309.322 -0.030 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1=O 365831337 AXFMCCBQWBGEDT-NSHDSACASA-N 314.301 0.005 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(c2nccs2)CC1 585000341 KZJBLPFHYGZLHU-UHFFFAOYSA-N 317.179 -0.215 50 20 DBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)NC 731472842 LVNQWNDLGUKENK-SNVBAGLBSA-N 318.341 -0.765 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1cnn(CC(=O)OC)c1 743253068 HAJHVPGFGHVAQZ-QMMMGPOBSA-N 318.355 -0.588 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](O)C2CC2)c1 744991809 YYEXJAAJOZHZGS-CYBMUJFWSA-N 317.301 -0.367 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)N1CCOCC1 745986246 PKPJTSALTMOJLW-UHFFFAOYSA-N 307.372 -0.870 50 20 DBGD CCCCO[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758029007 HSMZJTICVPWBOE-DTWKUNHWSA-N 309.388 -0.723 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1Cl 764429661 VCMIUDZXTNUGBS-UHFFFAOYSA-N 301.686 -0.573 50 20 DBGD CS(=O)(=O)CCOCCNS(=O)(=O)CCCCCl 780798375 UUDNQFDUZPXXFZ-UHFFFAOYSA-N 321.848 -0.014 50 20 DBGD CN(C)C(=O)Cn1ccc(NC(=O)NN=c2cc[nH]cc2)n1 782036465 JINWKFNTLPHDGC-UHFFFAOYSA-N 303.326 -0.063 50 20 DBGD Cn1nccc1COCC(=O)NNC(=O)NCC(F)(F)F 791018870 KARLNKPAEFDNPB-UHFFFAOYSA-N 309.248 -0.171 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(C)=O)cc1OC 799120569 PLTQDZZNNYNHGP-UHFFFAOYSA-N 302.308 -0.189 50 20 DBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)N1CCN(C)CC1 807381853 LUEFNMHZXCVVRH-UHFFFAOYSA-N 300.359 -0.436 50 20 DBGD CN1CCN(C(=O)NNC(=O)COC2CCOCC2)CC1 807382775 PDRNOAJFIOTKNA-UHFFFAOYSA-N 300.359 -0.830 50 20 DBGD CC1(C)C(=O)NC(=O)N1CC(=O)NNc1ccc(C(=O)O)cn1 833555254 UZNOJRXIQNHJLW-UHFFFAOYSA-N 321.293 -0.447 50 20 DBGD CCN1C[C@@H](CNC(=O)NNC(=O)Cc2cccnc2)CC1=O 845497929 PSENRGLQQWHQFT-GFCCVEGCSA-N 319.365 -0.177 50 20 DBGD C[C@]1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@H]1Br 857733406 KJWSTTZFTMNNNX-SANCVJEGSA-N 320.183 -0.311 50 20 DBGD COCC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 858355587 UOIBMLNATXOJLJ-ZJUUUORDSA-N 324.337 -0.034 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC(F)(F)C(F)(F)C2)N1 858701243 UXFWJPYFXJHHSA-YFKPBYRVSA-N 312.223 -0.408 50 20 DBGD CCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 858778459 JYJWJCLLDOVMLK-SNVBAGLBSA-N 322.369 -0.097 50 20 DBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)CS(C)(=O)=O 863463238 GIUYOEPZJOMNME-QMMMGPOBSA-N 301.324 -0.959 50 20 DBGD CC(C)c1nnc(C(=O)NNC(=O)CS(C)(=O)=O)s1 863466027 LEZMHFVNUMLJDF-UHFFFAOYSA-N 306.369 -0.533 50 20 DBGD NC(=O)COc1ccc(NCc2ccccc2B(O)O)cc1 864019791 RPAVEEVUNKYWLY-UHFFFAOYSA-N 300.123 -0.157 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 879534790 YDZVAVRJQYREQD-MXWKQRLJSA-N 324.381 -0.885 50 20 DBGD CCn1cc(Cl)cc1C(=O)NNC(=O)CS(C)(=O)=O 913242592 HLIIXIKQGDTUEK-UHFFFAOYSA-N 307.759 -0.033 50 20 DBGD CC(=NNC(=O)C(=O)NC1CC1)c1cccc(S(N)(=O)=O)c1 915956312 UWKMZIUFGHSSOA-UHFFFAOYSA-N 324.362 -0.547 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC#CCO 923789072 OUTIIIWPTOYHRS-JTQLQIEISA-N 309.297 -0.081 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)cn1 1323927183 KOIISDIXJZDURP-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD CC1=C(C)C(=O)N(CCC(=O)NNC(=S)NC(C)C)C1=O 1331901620 VMBNTVVJJLBTPE-UHFFFAOYSA-N 312.395 -0.015 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)cc1N 1579989555 GYIVOMKFPRAQPL-LLVKDONJSA-N 322.369 -0.983 50 20 DBGD C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC(=O)N1 1591758830 KNSMJRRRGMTRQM-ZDUSSCGKSA-N 301.310 -0.022 50 20 DBGD COc1cccc(N2CC[C@H](NC(=O)NNC(=O)C(=O)O)C2)c1 1599679539 WIHOPNWKMWGWCK-VIFPVBQESA-N 322.321 -0.311 50 20 DBGD N#Cc1ccc([C@@H](NNC(=O)[C@@H]2CCC(=O)N2)C(=O)O)cc1 1601096536 HIJAMCQGWUUSQR-CMPLNLGQSA-N 302.290 -0.417 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@]1(O)CCSC1 270790175 GJSDGPGESMJQRI-GFCCVEGCSA-N 313.335 -0.975 50 20 DBGD CCNC(=O)N(C)NC(=O)CSCC(=O)N1CCOCC1 272635576 CJMPHFQULYKVRB-UHFFFAOYSA-N 318.399 -0.729 50 20 DBGD CNC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 299132680 PZPGLHIQTDFXGC-AWEZNQCLSA-N 319.321 -0.586 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)N1CCCC1 299464664 DGKHWAJFKMHHKK-GFCCVEGCSA-N 319.317 -0.404 50 20 DBGD CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1COCCN1 367626524 ORAGNMIUUWVHBK-LBPRGKRZSA-N 307.350 -0.236 50 20 DBGD O=C(O)C1(NS(=O)(=O)CBr)CCOCC1 368520436 VEHYBFWCDQTVBS-UHFFFAOYSA-N 302.146 -0.108 50 20 DBGD NC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584930935 UZGGCORVMLSLTA-VIFPVBQESA-N 323.133 -0.974 50 20 DBGD CCCc1nc(=NC(=O)c2cc(B(O)O)ccc2F)s[nH]1 584939533 JLIFGRKTAMSOTE-UHFFFAOYSA-N 309.131 -0.016 50 20 DBGD NC(=O)C1(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1 731727615 BBYODDCPYVBJIQ-UHFFFAOYSA-N 311.319 -0.682 50 20 DBGD O=C1CC(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)=NN1 731865363 NURNMDNYFSPJSC-UHFFFAOYSA-N 312.289 -0.286 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)NC1CCCCC1 746095119 YPGCPJPHRLRFPP-QMMMGPOBSA-N 306.388 -0.413 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2cnccn2)n1 756644199 DKVVDMJNBGXRQF-UHFFFAOYSA-N 319.281 -0.687 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)C1=O 771882407 FPZLWPGKFHNXFX-NSHDSACASA-N 309.297 -0.170 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNc1ncncc1Cl 781819842 MRCVIOJXZATWJM-UHFFFAOYSA-N 319.774 -0.001 50 20 DBGD COC(=O)NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 792610581 YXRMWAQDEJSEBG-UHFFFAOYSA-N 301.324 -0.346 50 20 DBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)Cn2cncn2)cc1 794719387 JEPCNCZQDDNCLT-UHFFFAOYSA-N 324.366 -0.328 50 20 DBGD CCCCN(C)C[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 812455003 UIDNBWUIGPQEAF-JTQLQIEISA-N 313.402 -0.284 50 20 DBGD Cc1ccoc1CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 823434014 GKHAMHXTQSYZPN-VIFPVBQESA-N 315.351 -0.352 50 20 DBGD CC(C)(C)C(=O)NNS(=O)(=O)c1cnn(CC(=O)O)c1 826135055 UDDJBDNZPCYVHL-UHFFFAOYSA-N 304.328 -0.677 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1 842590992 UYAWZNXNGXSKKA-GZMMTYOYSA-N 315.351 -0.175 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)CCC(C)(C)C#N 844644383 JGQPZUZCUKDXLC-UHFFFAOYSA-N 304.372 -0.599 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNC(=O)CC2CC2)CC1 848143538 CVJRLILVWKSSBA-UHFFFAOYSA-N 317.411 -0.004 50 20 DBGD O=C(CN1CC[C@@H](CN2CCCC2=O)C1)NNC(=O)C1CC1 852679866 FAOFHZXOZOJTRO-LLVKDONJSA-N 308.382 -0.512 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2COc3ccccc32)N1 858463955 FVZOFYUQHSTSKU-GXSJLCMTSA-N 318.333 -0.228 50 20 DBGD O=C(CCC1CCCC1)NCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455196 ZSGFNWWBBBSHDA-LLVKDONJSA-N 324.381 -0.501 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2nc3cccnc3s2)N1 862458541 GIMKOTUFRDPKHQ-ZCFIWIBFSA-N 305.319 -0.269 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CC(=O)c3ccccc32)N1 862458609 GWHRMBHNVWTEMY-QWRGUYRKSA-N 301.302 -0.217 50 20 DBGD COc1ccsc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863414023 VXXLGLKWKZFYOQ-ZCFIWIBFSA-N 319.364 -0.655 50 20 DBGD CCSCc1cc(C(=O)NNC(=O)CS(C)(=O)=O)no1 863465260 ZKMNSEWGHIYOQE-UHFFFAOYSA-N 321.380 -0.267 50 20 DBGD CCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863871989 IUMCTWPSOOYPQK-CYBMUJFWSA-N 305.139 -0.076 50 20 DBGD C/C=C\C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OCC 863879669 XTWVPLVJOZAZEQ-DXTPNHAXSA-N 305.139 -0.006 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1C1CC1 863887277 WYZPYUPQAOARGV-UONOGXRCSA-N 317.150 -0.362 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)NCc1ccco1 920856016 OSHKLZUHJBYKIV-UHFFFAOYSA-N 319.339 -0.829 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC1CC2(C1)OCCO2 927095325 QRDFVRTVKYKHHC-MWLCHTKSSA-N 313.354 -0.105 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C[C@@H]1CC(=O)N1 1118732248 SJNHNAICHKFXIZ-VIFPVBQESA-N 312.370 -0.645 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 1321138542 AAPVSUXUKWAGRJ-UHFFFAOYSA-N 310.314 -0.953 50 20 DBGD CN(C)N(C(=O)CCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1321299324 SMWIWDGQHOJQFM-JTQLQIEISA-N 301.372 -0.840 50 20 DBGD CC(C)(O)CCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1322214531 UMVYPMATMIWGQN-QMMMGPOBSA-N 307.372 -0.945 50 20 DBGD CC(C)(C)n1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1 1324493806 WGNWHGJOWBVKOT-VIFPVBQESA-N 313.383 -0.082 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CCN(C3CCC3)CC2)N1 1328800204 QJVYAWXCKPAAIQ-GFCCVEGCSA-N 323.397 -0.388 50 20 DBGD Cc1cc(F)ccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 1343259202 FBIHNGMJKZMCQG-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 1573372560 WNHRLGVNDHSMMH-JGVFFNPUSA-N 315.326 -0.136 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C2CCNCC2)c2ncnn21 1576617402 HGSLRFDHMPXLPI-PSASIEDQSA-N 307.358 -0.386 50 20 DBGD C#CCO[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588357915 QHSISPXXUYBXBD-VIFPVBQESA-N 314.305 -0.334 50 20 DBGD O=C(NNC(=O)C1(O)CCC1)c1ccc(-c2nn[nH]n2)cc1 1593158302 QEGPGQZMAXIKQO-UHFFFAOYSA-N 302.294 -0.457 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccsc1C(=O)O 1599747472 YPIDNARDBWSRAB-UHFFFAOYSA-N 306.321 -0.748 50 20 DBGD COc1ccc(O[C@H](C)CNC(=O)NNC(=O)C(=O)O)cc1 1607281455 SKOWTOLQINYUMC-MRVPVSSYSA-N 311.294 -0.123 50 20 DBGD O=C(NNC(=O)c1cncn1-c1ccccc1)C(=O)NC1CC1 9889833 PAOKQJLPFHPFQL-UHFFFAOYSA-N 313.317 -0.088 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 46125135 KAKIWWFJBPACSE-GFCCVEGCSA-N 307.306 -0.548 50 20 DBGD COC(=O)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 54871277 QWXKLTXCXDSGMN-SNVBAGLBSA-N 309.278 -0.670 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 266591089 OBZMHZBONZSDOV-UHFFFAOYSA-N 319.295 -0.489 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1nnc2ccccn12 273298413 ATTIVLNPKDIJOC-SECBINFHSA-N 322.325 -0.067 50 20 DBGD COc1ccc(NNC(=O)CCS(=O)(=O)N(C)C)nc1 275688245 XNRNINSJHAIQRB-UHFFFAOYSA-N 302.356 -0.185 50 20 DBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNc1ncnc2nc[nH]c12 283780988 SUDHXSFPDYCTDG-SSDOTTSWSA-N 306.330 -0.121 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC1(O)CCC1 495863306 CRILUSKNPZOXLV-UHFFFAOYSA-N 301.343 -0.036 50 20 DBGD CC(C)c1nncn1CCNC(=O)c1cccc(B(O)O)c1 584948681 NKIJDBHMWZAUHA-UHFFFAOYSA-N 302.143 -0.489 50 20 DBGD O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(B(O)O)cc1 584987903 XHJBQXMMLWOHFR-STQMWFEESA-N 302.139 -0.750 50 20 DBGD CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(B(O)O)c(F)c2)N(C)C1 584994370 NWZXNBNVOXURMS-RYUDHWBXSA-N 324.161 -0.703 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(OCC#N)cc1 728434225 KGEBZASSUINTQM-SNVBAGLBSA-N 324.362 -0.023 50 20 DBGD CC(C)(CNC(=O)NNc1cccnn1)NS(C)(=O)=O 736386608 JHITVIVCAVFICE-UHFFFAOYSA-N 302.360 -0.570 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H](O)c1ccccc1 746103068 OHBLMMYBKFSBOU-QWRGUYRKSA-N 312.347 -0.698 50 20 DBGD COc1ccc(NC(=O)NNC(=O)C(=O)N2CCCC2)cn1 748324875 IVAFGPDSEWXTFV-UHFFFAOYSA-N 307.310 -0.135 50 20 DBGD COc1ncccc1C(=O)NNC(=O)CNC(=O)c1ccco1 751200957 CTQMWXYETMWWCF-UHFFFAOYSA-N 318.289 -0.126 50 20 DBGD Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)CO)ccc12 753445946 WLTMVUQZNKPHSB-UHFFFAOYSA-N 306.274 -0.380 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O)o1 754131622 RGOYVPOZRRHHPV-MRVPVSSYSA-N 303.340 -0.035 50 20 DBGD COc1nccnc1NNC(=O)CN(C)CC(=O)NC(C)C 764481896 NRGANWXXBMQBKV-UHFFFAOYSA-N 310.358 -0.615 50 20 DBGD O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)C(=O)N1CCCC1 777243984 WUAGIDTWNDRSEN-UHFFFAOYSA-N 319.365 -0.399 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cc3c(O)ncnc3cn2)n[nH]1 779040891 MNXRJSPMAJTBBW-UHFFFAOYSA-N 313.277 -0.163 50 20 DBGD CN(CCOCCO)CC(=O)NNC(=O)c1ccc(C#N)cc1 800508088 JTJIGWFXLWKQMR-UHFFFAOYSA-N 320.349 -0.740 50 20 DBGD Cc1[nH]nc(C(=O)NNC(=O)N=c2cc[nH]cc2)c1[N+](=O)[O-] 802034054 YQRFWIDOQUMRQT-UHFFFAOYSA-N 305.254 -0.090 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)COc1ccccc1F 806273828 HAPDUQZYRPAFQL-SNVBAGLBSA-N 309.297 -0.027 50 20 DBGD COC(=O)COCC(=O)NNc1ccc(S(C)(=O)=O)cc1 807118206 GSWJTOSJMXFZQB-UHFFFAOYSA-N 316.335 -0.277 50 20 DBGD CCCCN(C)C[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 812505911 UIDNBWUIGPQEAF-SNVBAGLBSA-N 313.402 -0.284 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCc2c(nnn2CCOC)C1 815129007 FOAQVWJBNZYTIG-SNVBAGLBSA-N 324.385 -0.772 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)CC1CC1 819114252 COTMRIHUEFGKPM-UHFFFAOYSA-N 321.399 -0.722 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 823935172 OLGFQNUYOGBRRA-WDEREUQCSA-N 317.386 -0.034 50 20 DBGD NC(=O)CSCC(=O)NNc1cccc(-c2nn[nH]n2)c1 826391596 SEHJZPFHJWSLAM-UHFFFAOYSA-N 307.339 -0.472 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1cccc(F)c1 826425840 WHCWFSUDOKSREC-UHFFFAOYSA-N 303.261 -0.259 50 20 DBGD O=C(NCc1ccco1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826443668 YMLHWLHIGAFEQX-UHFFFAOYSA-N 316.281 -0.068 50 20 DBGD C[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 839533825 YQBJGEIFBHEMFG-BXKDBHETSA-N 322.321 -0.189 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)NC1CCCCC1 845079782 PYCLUXKYHIOCFW-VIFPVBQESA-N 304.372 -0.659 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1NC(=O)O[C@H]1C 854284417 JKZRWJSDONAZCI-YUMQZZPRSA-N 304.372 -0.643 50 20 DBGD Cc1nccc(CCC(=O)NNC(=O)N2CCN(C)CC2)n1 854382725 JVKXGGNWSVSGTE-UHFFFAOYSA-N 306.370 -0.294 50 20 DBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cc[nH]n1)CS2 855362663 TXJUSHRNROPLGN-PRHODGIISA-N 309.351 -0.375 50 20 DBGD CO[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccc(F)cc1 858168366 SRVQQSCKJSCDCW-NSHDSACASA-N 309.297 -0.061 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)N1 858701719 ZKEZNWOJSSJFBQ-MXWKQRLJSA-N 310.354 -0.351 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C(=O)c2ccc3c(c2)CCC3)N1 862453765 NEAJKRZZYQRGEI-LBPRGKRZSA-N 315.329 -0.216 50 20 DBGD O=Cc1ccc(OCCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862456565 ZJCKDLRXRNUVDO-GFCCVEGCSA-N 319.317 -0.306 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3nsnc3c2)N1 862457293 GFUUKPRRUYVRQR-QMMMGPOBSA-N 305.319 -0.269 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 869910064 CHPSPPNOAROWQS-NSHDSACASA-N 315.370 -0.699 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NN(C)C[C@@H](C)O 910171403 VWDHLXXSAPIQFF-NEPJUHHUSA-N 321.443 -0.076 50 20 DBGD O=C(CCc1cccnc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1115818690 QGNVNUZRIDTGLH-NSHDSACASA-N 311.363 -0.404 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 1116379971 HWKYOFMPEOJBCG-CABZTGNLSA-N 319.383 -0.945 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNc2cnnn2C)cc1 1117761843 ITESBWMZRBXNJO-UHFFFAOYSA-N 310.339 -0.520 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNC(=O)NC2CC2)CC1 1118374838 XMQYKHOQVVIUQE-UHFFFAOYSA-N 318.399 -0.459 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)NCCCOC)n1 1253014114 VTCOMDPBNDAXEC-UHFFFAOYSA-N 309.326 -0.578 50 20 DBGD NC(=O)c1ccc(/C=C/C(=O)NNC(=O)C(=O)N2CCCC2)o1 1330236706 HTNMMJZUPNCHOY-GQCTYLIASA-N 320.305 -0.839 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)C1CCOCC1 1331528167 FAURDLOWQYDWGY-UHFFFAOYSA-N 304.368 -0.143 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)[C@@H]1CSCC(=O)N1 1334124856 CKIFPEWEMUDQHZ-JTQLQIEISA-N 308.363 -0.523 50 20 DBGD C#CCNC(=S)NNC(=O)c1cccc(S(C)(=O)=O)c1 1341193743 WZLSFMBNLDWEOB-UHFFFAOYSA-N 311.388 -0.168 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1351032255 DDPVZDIXWHUNMO-MRVPVSSYSA-N 323.440 -0.564 50 20 DBGD O=C(NNS(=O)(=O)N1CCC1)c1ccc(-c2nn[nH]n2)cc1 1593160612 GTGVKJBHYSGCJF-UHFFFAOYSA-N 323.338 -0.948 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)cn1 1600946000 KBYKQLIZAKVLSH-JUYDSFNJSA-N 304.306 -0.236 50 20 DBGD CNC(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1 1604875683 UCPVFQNUAPTPGT-UHFFFAOYSA-N 302.298 -0.769 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1605702848 IRFBEOWUQBDFRE-CQSZACIVSA-N 324.289 -0.448 50 20 DBGD CC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884066 SBDDWLBLRFVFLY-VIFPVBQESA-N 315.805 -0.310 50 20 DBGD CCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccccc1 65189921 GGNLQOOFXWZGGA-UHFFFAOYSA-N 314.367 -0.343 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCN(C)C(=O)C2)n1 78885686 WKNDHIVAJJHLAJ-NSHDSACASA-N 307.354 -0.484 50 20 DBGD C[C@@H](CC(=O)NNC(=O)C(=O)NC1CC1)NC(=O)C1CCCC1 263865386 JMKOGHSBMSIYHF-VIFPVBQESA-N 324.381 -0.503 50 20 DBGD COC[C@@H](C)S(=O)(=O)NNC(=O)COc1ccccc1O 265441822 UYIIGRAVUKTORK-SECBINFHSA-N 318.351 -0.244 50 20 DBGD CCCc1nnc(S)n1CC(=O)NNC(=O)c1cnn(C)c1 265603799 VKALBFYTXJHTJY-UHFFFAOYSA-N 323.382 -0.286 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)Cn1cccn1 267131920 CTBPBQUIUYSSPD-GHMZBOCLSA-N 313.358 -0.347 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)N1CCOCC1 275711337 KZCLPMQEPBKJAX-UHFFFAOYSA-N 324.337 -0.675 50 20 DBGD CNc1ccccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 293704504 ISPPZNQZKJUQPP-VIFPVBQESA-N 311.363 -0.076 50 20 DBGD O=C(CNC(=O)OCC(F)(F)F)NNC(=O)[C@@H]1CCCO1 294000837 MBLXZRRPUBMALU-LURJTMIESA-N 313.232 -0.399 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1ncccn1 298288051 OKRNSQWUBNKKSF-GAIPPQHRSA-N 313.317 -0.273 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CN(CC)CCO1 377260001 NREZMAXHIRMDFM-NSHDSACASA-N 317.386 -0.356 50 20 DBGD NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584962973 NQNGTSJWXOARHX-WPRPVWTQSA-N 308.118 -0.721 50 20 DBGD CC(C)(C)N1C[C@H](NCc2ccc(B(O)O)cc2F)CC1=O 585025715 AUFLPANAGCTSRE-GFCCVEGCSA-N 308.162 -0.006 50 20 DBGD CC[C@H](NCc1ccc(B(O)O)cc1)C(=O)N1CCOCC1 585027148 XUFKKKFQCUUMEE-AWEZNQCLSA-N 306.171 -0.907 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CBr 696853217 JPWNBMLRSVCHTR-WDSKDSINSA-N 322.202 -0.930 50 20 DBGD CN(C)CC(C)(C)CNC(=S)NNC(=O)C(=O)NC1CC1 727071528 AYOFATYKISCLLW-UHFFFAOYSA-N 315.443 -0.652 50 20 DBGD COc1ncccc1CNC(=O)NNC(=O)c1cnn(C)c1 735512058 LARLPNCDPOUKPX-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD CCN(C)S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 746054245 PBFOYUXYJWEJHG-UHFFFAOYSA-N 301.324 -0.154 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC([C@H](O)C(=O)OC)CC1 749534750 CHPSTUJNSWHWHY-CABZTGNLSA-N 315.370 -0.822 50 20 DBGD CC[C@H](NC(=O)NNC(=O)c1ccc[nH]1)C(=O)N1CCOCC1 753057818 NXJVHUOFFIWDMX-JTQLQIEISA-N 323.353 -0.404 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)C1CCCC1 758043050 DMPNSJVHANMBON-IUCAKERBSA-N 305.400 -0.102 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(Cl)cc2cccnc12 764428627 IYWVOWPFVRRHRA-UHFFFAOYSA-N 322.708 -0.034 50 20 DBGD COC(=O)[C@@]1(N[C@@H](C)C(=O)NNC(=O)CC(C)C)CCOC1 767684142 LJKPSLIYMVPSDS-IINYFYTJSA-N 315.370 -0.510 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ncccn2)O1 775455487 SUXQFWHPESOXIA-ZJUUUORDSA-N 308.342 -0.262 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC(=O)N(C)C[C@@H]2C)c1 782588596 XXRIHGPAZLTQMC-LBPRGKRZSA-N 318.377 -0.081 50 20 DBGD CCOC(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 785664879 ANUGUUSTMJCQPH-VIFPVBQESA-N 317.342 -0.142 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCC(=O)c2cccn21 788738723 NAASVRXZCJPYMM-JTQLQIEISA-N 306.322 -0.322 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2nc3ccccn3n2)C1=O 791239156 DVLKEOMUDBUCBB-UHFFFAOYSA-N 303.282 -0.934 50 20 DBGD CNC(=O)[C@H]1CN(C(=O)NNC(=O)c2cccc(C)n2)CCO1 793230509 GKIKCDYQJADOKB-LLVKDONJSA-N 321.337 -0.809 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)N1CCOCC1 805556450 BIZJQRZMRQTTBR-JTQLQIEISA-N 315.370 -0.414 50 20 DBGD O=C(CNS(=O)(=O)c1cccnc1)NNc1cccnn1 810422401 MVUGRBUOHINYLI-UHFFFAOYSA-N 308.323 -0.707 50 20 DBGD CCN(CCO)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 823834102 RDZUNBXYBLJGRH-YRRQLQLVSA-N 307.350 -0.861 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825770930 SNUAJJGNHNFLEA-NWDGAFQWSA-N 316.402 -0.290 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cnc(C(=O)O)n2)cc1 833072739 YFFGASHHXHHVTD-UHFFFAOYSA-N 314.261 -0.691 50 20 DBGD C[C@@H]1CC=C(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 839651140 ZNRDFHIKMYXTQJ-RKDXNWHRSA-N 303.384 -0.182 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)Cc2cccnc2)CC1=O 845497930 PSENRGLQQWHQFT-LBPRGKRZSA-N 319.365 -0.177 50 20 DBGD CNC(=S)N(C)NC(=O)c1c(C)oc(C)c1S(N)(=O)=O 854925674 JQUPXDWHQAQARE-UHFFFAOYSA-N 320.396 -0.375 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 854927224 ZHCUFFNDDZXXDE-WDSKDSINSA-N 312.317 -0.089 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cc[nH]n1 855359001 BCJARPNJJITYSA-LURJTMIESA-N 319.243 -0.419 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1cc[nH]n1 855359220 JZZMWOYWLKQLIW-VDTYLAMSSA-N 319.243 -0.372 50 20 DBGD CC(C)OC(=O)CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858699096 JCPWJTDTKMNPEN-VIFPVBQESA-N 314.342 -0.673 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860754491 HSUZWYLTUPTESZ-MRVPVSSYSA-N 307.310 -0.875 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c2c(C)n[nH]c2n1 862454371 SYAJTTKCWNVTEQ-VIFPVBQESA-N 316.321 -0.386 50 20 DBGD Cc1cccc(NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)n1 862521298 YFEJPAPADPNCCG-NSHDSACASA-N 312.395 -0.048 50 20 DBGD Cn1cnc2cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc21 863464325 LLXPJJLOYZLMQK-UHFFFAOYSA-N 310.335 -0.621 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCc2cccs2)n(C)c1=O 900385406 VYCIUZIEFLHYEU-UHFFFAOYSA-N 323.378 -0.028 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 910160879 PIWYAHHVBXMQIL-GHMZBOCLSA-N 317.386 -0.034 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)c1cc(OC)cc(OC)c1 915916372 RKMHWFDETWUHKF-UHFFFAOYSA-N 324.337 -0.216 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)CC1CC1 1117734653 CYHVLPBWHRANIS-SECBINFHSA-N 306.409 -0.146 50 20 DBGD CCn1nc(C)c(CC(=O)NNC(=O)CS(C)(=O)=O)c1C 1118953989 LSUFLLRQDDWLRO-UHFFFAOYSA-N 316.383 -0.746 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)c1 1251758100 GVXNKWFZWCILEN-UHFFFAOYSA-N 315.289 -0.739 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCc2ccccc2OC1 1256705606 KYHUIZISIASWOR-JTQLQIEISA-N 307.306 -0.116 50 20 DBGD COCCOCC(=O)NNC(=O)c1cc(C(F)F)n(C)n1 1262341016 VKFZTRZGSONYRF-UHFFFAOYSA-N 306.269 -0.218 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCc2c[nH]nc2C1 1319096098 ZFQBWVDSINKEMW-JTQLQIEISA-N 320.353 -0.780 50 20 DBGD O=C(Cc1ccc(-n2cnnc2)cc1)N1CC[C@@H](B(O)O)C1 1329672628 REPYVRWRVXMDQI-GFCCVEGCSA-N 300.127 -0.115 50 20 DBGD C[C@H](C(=O)NNc1ncccn1)S(=O)(=O)C1CCOCC1 1340495902 SAKZTLTTYCKGHC-SECBINFHSA-N 314.367 -0.098 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCc1cnccn1 1341745838 LRPPTDMNSGLFCZ-JTQLQIEISA-N 311.342 -0.599 50 20 DBGD CS(=O)(=O)CC[C@H](N)C(=O)NNC(=O)OCC(F)(F)F 1574057650 UJVJAKBBPKYNPP-YFKPBYRVSA-N 321.277 -0.932 50 20 DBGD COc1ccc(C(=O)NNC(=O)NC[C@H]2CNCCO2)cc1 1579194063 GGNSNIMQOKKYNT-GFCCVEGCSA-N 308.338 -0.372 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)c1cnnn1C1CNC1 1580574198 YALMYEYZOKAIGW-UHFFFAOYSA-N 318.312 -0.435 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)s1)c1cn[nH]c1 1606853791 FUBCEEUHQGFECT-UHFFFAOYSA-N 304.295 -0.274 50 20 DBGD O=C(O)Cn1cc(C=NNC(=O)c2cn3c(n2)CCCC3)nn1 1776105399 FBOALLVRSCRTFP-UHFFFAOYSA-N 317.309 -0.341 50 20 DBGD CC(C)CC(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 48441326 VLSUCYFIKLWEPW-SNVBAGLBSA-N 305.400 -0.701 50 20 DBGD CC[C@@H](COC)NC(=O)NNC(=O)CNC(=O)c1ccco1 265837410 SZJSPOSQBUFFKM-VIFPVBQESA-N 312.326 -0.235 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)NC2CC2)c1 269385573 JMOOIVGDBARMRG-UHFFFAOYSA-N 320.349 -0.153 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 273171051 DTLVJEPVDPPPLK-QMMMGPOBSA-N 316.358 -0.475 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1c(O)cccc1F 274894865 BXEVJCGMDASVPO-ZCFIWIBFSA-N 319.314 -0.770 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2nc3ccccn3n2)O1 276792555 CWWLYUVEJSYFEH-IUCAKERBSA-N 319.325 -0.612 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)CN1CSCC1=O 294985725 SWWFBQPVEVGDKT-UHFFFAOYSA-N 308.363 -0.221 50 20 DBGD O=C(CNC(=O)c1ccccc1)NNC(=O)C(=O)N1CCCC1 299575402 QDYDFBNVXFOQKU-UHFFFAOYSA-N 318.333 -0.814 50 20 DBGD CC1(C)CN(CC(=O)NNC(=O)c2ccccc2)C[C@H](CO)O1 323174469 NRXKHKZZMLOJJB-CYBMUJFWSA-N 321.377 -0.081 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)c(O)c1 367201145 NFUPHCUPSRABNX-CYBMUJFWSA-N 318.377 -0.148 50 20 DBGD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCCCCl)C1 372429149 WKFDBJOROLAXHL-VIFPVBQESA-N 318.848 -0.041 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 584958908 UZUPTORAJPNOJN-KBPBESRZSA-N 323.129 -0.475 50 20 DBGD NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584961392 RCWOEBFWTHMRPG-SKDRFNHKSA-N 308.118 -0.721 50 20 DBGD CC(C)[C@@H](CNCc1ccc(B(O)O)cc1)N1CCN(C)CC1 585018487 WGMYKFKJOQNXKS-QGZVFWFLSA-N 319.258 -0.272 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 729274923 HNLNYDDAUVBISI-XKNYDFJKSA-N 303.384 -0.492 50 20 DBGD O=C(CCCn1cncn1)NNC(=O)COc1ccccc1O 730835283 FEPVGWRHWXQLAN-UHFFFAOYSA-N 319.321 -0.010 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=S)N[C@H](C)COC 740773055 UZJCZIMQCDKJPZ-MRVPVSSYSA-N 304.416 -0.179 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)COc2ccccc2O)CCC1 747907252 IGHMFFKICZUYBQ-UHFFFAOYSA-N 307.306 -0.426 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc2occc2[nH]1 750829382 QINOAZIFYVOEKE-SSDOTTSWSA-N 311.319 -0.043 50 20 DBGD O=C(CO)NNC(=O)c1nccn2c(Br)cnc12 753438241 LVGXNZOWAMDZSC-UHFFFAOYSA-N 314.099 -0.755 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCSc2nnnn2C)n[nH]1 768276720 DZTAFKBMIVDZOK-UHFFFAOYSA-N 310.343 -0.815 50 20 DBGD CCCS(=O)(=O)CC(=O)O[C@H](C)C(=O)NNC(=O)CC 772043170 KWEMMUMSIDDTCP-MRVPVSSYSA-N 308.356 -0.700 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(OC)c1 782117541 QPEXGGHQSQWXFJ-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD COCCn1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 802029100 GVKRAVNVMFFRME-UHFFFAOYSA-N 304.310 -0.187 50 20 DBGD Cn1nnc(CNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n1 807189749 VQEMVHZXXYFHCY-UHFFFAOYSA-N 314.309 -0.122 50 20 DBGD CCNC(=O)N(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 825471281 QTLAIURCZABSAX-UHFFFAOYSA-N 318.341 -0.029 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825770929 SNUAJJGNHNFLEA-NEPJUHHUSA-N 316.402 -0.290 50 20 DBGD CO[C@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C12CCC2 834954532 YWCQISBILGVTGY-SCZZXKLOSA-N 303.384 -0.015 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](NC=O)C(C)C 858126593 CFJUKYDETLQVBE-AWEZNQCLSA-N 323.349 -0.008 50 20 DBGD CC(C)OC1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858696690 LEJCVWXDPFQBDN-NSHDSACASA-N 312.370 -0.105 50 20 DBGD CN1CC[C@]2(CCN(C(=O)NNC(=O)[C@H]3CCC(=O)N3)C2)C1 858700059 DESYULKIFFJCDG-YGRLFVJLSA-N 309.370 -0.967 50 20 DBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O)c1 863457910 PNEQXSOWBTZRNS-JTQLQIEISA-N 314.363 -0.046 50 20 DBGD O=C(NN=C1CCS(=O)(=O)C1)c1ccc(-n2cnnn2)cc1 912800314 NGQUVEKAKRPLLJ-UHFFFAOYSA-N 320.334 -0.433 50 20 DBGD Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 1115914454 AHPQSCOJTPQUDI-ZETCQYMHSA-N 307.354 -0.434 50 20 DBGD O=C(NC[C@@H]1CCCO1)NNC(=O)C(=O)Nc1ccccn1 1118606942 DCWDMBLNWOBFSL-VIFPVBQESA-N 307.310 -0.471 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1cn2c(n1)CCCC2 1319300000 QBXOGEAYKWLMAE-UHFFFAOYSA-N 309.326 -0.735 50 20 DBGD CN1CC[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1=O 1319494158 OUCDHVQRUJKSNH-SSDOTTSWSA-N 319.325 -0.620 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cc(C2CC2)nn1 1319666637 CWAHSIHKYALYHD-UHFFFAOYSA-N 322.369 -0.392 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1nccs1 1321034985 LZCWHVDQRXODEZ-ZETCQYMHSA-N 320.396 -0.839 50 20 DBGD O=C(NN=Cc1cnc2ncccn12)[C@@H]1CCS(=O)(=O)C1 1324430232 YOWVKIWGFCZJJJ-SECBINFHSA-N 307.335 -0.386 50 20 DBGD CNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 1332853666 RUINAXYDZJDUFW-UHFFFAOYSA-N 306.731 -0.439 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1nc[nH]c1C(F)(F)F 1335368604 UNMNHUFQRAGNAO-UHFFFAOYSA-N 314.245 -0.766 50 20 DBGD CS(=O)(=O)Nc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 1335432875 NZISOHUXKMUSBI-SNVBAGLBSA-N 312.156 -0.253 50 20 DBGD CCNC(=O)N(C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1342046499 PNSAEFISNOVLSF-MRVPVSSYSA-N 309.413 -0.401 50 20 DBGD O=C(COC(=O)C1(C(=O)O)CC1)NNC(=O)c1ccccc1 1601331926 RCCUAAUQHNPTTI-UHFFFAOYSA-N 306.274 -0.144 50 20 DBGD O=C(NNC(=O)c1ncccn1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 1601557324 KNBDLYULEMZSAT-RGOKHQFPSA-N 319.321 -0.080 50 20 DBGD C=C(CN(C)C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1602767626 KEGUAMPAWCHFQX-UHFFFAOYSA-N 315.337 -0.255 50 20 DBGD C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783914241 SUZHEXHBLAGUGH-FZMZJTMJSA-N 316.785 -0.008 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN1CCN(C)CC1 111619370 PXTGOIJJRARIIJ-UHFFFAOYSA-N 306.366 -0.296 50 20 DBGD C[C@H](N)[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 156530027 YFXOTIICGHDRML-VHSXEESVSA-N 312.395 -0.443 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)[C@H](C)NS(C)(=O)=O)n1 267126228 FEEPRHFIUMTGKE-YFKPBYRVSA-N 307.763 -0.181 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)COc2ccccc2O)CC1=O 267580914 HHVBDQWPPARETL-VIFPVBQESA-N 322.321 -0.668 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCCO1 269376229 FLHAGOYUGFSIMX-LLVKDONJSA-N 306.322 -0.472 50 20 DBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccc(C(N)=O)nn1 275206126 NXXHDFJHNAMJPR-MRVPVSSYSA-N 322.369 -0.041 50 20 DBGD COCCN(C)CCCNC(=O)c1ccc(B(O)O)c(F)c1 584929340 QRRGGTYZTRWAOQ-UHFFFAOYSA-N 312.150 -0.796 50 20 DBGD CC(C)(C)N1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CC1=O 584953660 BJSOWZKJIVOEJG-SNVBAGLBSA-N 322.145 -0.365 50 20 DBGD O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(B(O)O)c(F)c1 584969626 GSEPJZKGYPNPSI-ABAIWWIYSA-N 323.129 -0.427 50 20 DBGD CCN(C)C(=O)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(C)C 584995812 RSHYXGSGRUJNPD-ZDUSSCGKSA-N 324.161 -0.262 50 20 DBGD Cn1ccnc1C(NCc1ccc(B(O)O)o1)c1nccn1C 585049529 REXOGJGAGFQZTC-UHFFFAOYSA-N 315.142 -0.694 50 20 DBGD CC(=O)N1C[C@H](O)C[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1 585051321 BRMZCIDQADDTED-VXGBXAGGSA-N 317.110 -0.929 50 20 DBGD O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585057979 PTERAZQXPQKBQE-SNVBAGLBSA-N 314.128 -0.027 50 20 DBGD COc1nn(C)c2nc(C)c(CCC(=O)NCB(O)O)c(C)c12 585060165 BIUVKAXOBVEMAU-UHFFFAOYSA-N 320.158 -0.345 50 20 DBGD O=C(CN1C(=O)COc2ccccc21)N1CC[C@@H](B(O)O)C1 585076679 YMKJQROGFBFJFJ-SNVBAGLBSA-N 304.111 -0.513 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(C#N)cc1 727943065 BKIMNQBJMJEOHQ-UHFFFAOYSA-N 324.362 -0.063 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCN3CCCC[C@H]23)cn1 735512953 LVKJFEAGTIRJGJ-VXGBXAGGSA-N 306.370 -0.009 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1nnc(O)c2ccccc12 739455272 YEFNLLXLZJFKLI-RKDXNWHRSA-N 316.273 -0.183 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 743307867 XMSMWEGJKOBKCC-UHFFFAOYSA-N 322.346 -0.183 50 20 DBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)CC2CC2)cn1 756803438 ZQDGKLNWEDPXNG-UHFFFAOYSA-N 308.342 -0.076 50 20 DBGD CN(NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C(N)=O 778415214 BGZRMMLWNFVPDN-UHFFFAOYSA-N 324.721 -0.218 50 20 DBGD Cc1cnccc1CNC(=O)NNC(=O)C(=O)N1CCCC1 779696723 FYPUYQXNAWUNIV-UHFFFAOYSA-N 305.338 -0.157 50 20 DBGD CO[C@@H](C(=O)NNc1ncnc2[nH]cnc12)c1cnn(C)c1 799099966 JVOHOYOYCPQLPR-SECBINFHSA-N 302.298 -0.083 50 20 DBGD Cc1cn2ccnc(C(=O)NNC(=O)N3CCN(C)CC3)c2n1 807380935 WFLHJLLBELOWCX-UHFFFAOYSA-N 317.353 -0.360 50 20 DBGD CCOCC(=O)NNC(=O)NCC1(COC)CCOCC1 813772696 QCFQOCCTYSPEKD-UHFFFAOYSA-N 303.359 -0.204 50 20 DBGD CCCCNC(=O)NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 823755945 ORUHPTSZNDDYEF-SECBINFHSA-N 321.403 -0.968 50 20 DBGD CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 825732284 SOYQPAUGAWMQKI-IVZWLZJFSA-N 305.400 -0.102 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842586761 PLBPERJUKMRNAA-NXEZZACHSA-N 316.383 -0.229 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CNC1 843386206 WIPXNMZJOJGFPO-UHFFFAOYSA-N 307.310 -0.741 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1CCCCO1 854682653 DJIZXRUHQMTTMB-BDAKNGLRSA-N 307.372 -0.969 50 20 DBGD CCOc1cncc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1 857207925 NJYFNFDXWXZUTC-VIFPVBQESA-N 314.367 -0.132 50 20 DBGD CC(C)[C@H](NC=O)C(=O)OCC(=O)NNC(=O)c1ccccc1 860378428 IRDRZICGLWFOQR-ZDUSSCGKSA-N 321.333 -0.239 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)c2cc(C)[nH]n2)c1 860480087 BHWHNROUDBEDLG-UHFFFAOYSA-N 306.282 -0.838 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(C2OCCO2)CC1 863871957 HVQOJMYFUQOFSB-UHFFFAOYSA-N 305.139 -0.409 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC2(CC1)OCCCO2 863883934 RZMINEGAZLUYDN-UHFFFAOYSA-N 323.129 -0.125 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](N2CCOC2=O)C1 863886768 MCMFCUTWYZVHJQ-JTQLQIEISA-N 322.101 -0.828 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 913496623 HBGOHZOZXQQHHA-JTQLQIEISA-N 301.306 -0.538 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CN1CCCNC1=O 919822346 NFCQZMHOMHXQAX-UHFFFAOYSA-N 320.349 -0.200 50 20 DBGD COC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)CCO 1116600165 RKMPBEAHXRXGFR-UHFFFAOYSA-N 315.307 -0.997 50 20 DBGD Cn1cc(C(=O)NNC(=S)NCC2CCC2)c(O)nc1=O 1118721124 MVISNISERPMCES-UHFFFAOYSA-N 311.367 -0.605 50 20 DBGD CCc1nc(C)c(CNC(=O)NNC(=O)C(=O)NC2CC2)o1 1327718006 FHGHVGBMBSNYRF-UHFFFAOYSA-N 309.326 -0.346 50 20 DBGD Cc1cc(C[C@@H](C)NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n[nH]1 1329733858 AXVOJHAVPMCANP-GMSGAONNSA-N 308.342 -0.742 50 20 DBGD C[C@H](Cc1cnn(C)c1)C(=O)NNC(=O)CN1CCCC1=O 1332272888 BIVDWCGOWMPIMH-SNVBAGLBSA-N 307.354 -0.632 50 20 DBGD CCCS(=O)(=O)CC(=O)NNc1nncc(N)c1Cl 1333507939 KHXIHBCMXPCXGA-UHFFFAOYSA-N 307.763 -0.020 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCCc2nn[nH]c21 1334107308 WITCZRCWOBXCOE-VIFPVBQESA-N 322.369 -0.323 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCc2nn(C)c(=O)cc2C1 1334727610 IFQBWRXZDSTQGC-VIFPVBQESA-N 307.354 -0.916 50 20 DBGD CN(NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(N)=O 1341910465 SIDGIELRKFBODA-UHFFFAOYSA-N 320.396 -0.505 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1 1342633986 BTJOUHWEMSZEHK-UHFFFAOYSA-N 322.321 -0.180 50 20 DBGD Cn1c(C(=O)NNc2nccn(C)c2=O)ccc1-c1nn[nH]n1 1592549687 MBCRJZUGFMLHJM-UHFFFAOYSA-N 315.297 -0.944 50 20 DBGD Cn1cc(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)cn1 1592572670 WZJMXXPTJBUXSA-UHFFFAOYSA-N 314.313 -0.179 50 20 DBGD COCCOCC(=O)NNC(=O)c1cc(C)c(C(=O)O)o1 1599248343 VXSVKPBWPNNKNS-UHFFFAOYSA-N 300.267 -0.290 50 20 DBGD Cc1c(NC(=O)NNC(=O)CN(C)C)cccc1-c1nn[nH]n1 1605497229 YNDIYVFMGBJBPA-UHFFFAOYSA-N 318.341 -0.111 50 20 DBGD Cn1cc(C(=O)NN=Cc2ccn([C@H]3C[C@H](C(=O)O)C3)n2)nn1 1776092278 GKTIRZLAXRQSFQ-CZMCAQCFSA-N 317.309 -0.189 50 20 DBGD O=C([C@@H]1C=CCN1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841351367 SRUQQDOWIAZWJH-WDEREUQCSA-N 313.785 -0.683 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 8390202 PSEDOPOUIONPEF-UHFFFAOYSA-N 304.306 -0.391 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nnn1C 266016947 SJZGADCCUXUEDZ-NSHDSACASA-N 317.305 -0.275 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CNS(=O)(=O)CC)cc1 270223096 MNPGOKLQWSURGR-UHFFFAOYSA-N 313.379 -0.051 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 276332179 YIPRUUVPTOHYCW-DTORHVGOSA-N 311.338 -0.920 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3nncn3c2)CC1 282911957 MVASVSMOVUIIRM-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCc2ccccc2C1)N1CCOCC1 367270842 MLKQPUILZIHEDH-MRXNPFEDSA-N 319.361 -0.021 50 20 DBGD C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(B(O)O)c1)CS2 404919802 SYPLMIOACCAOPT-SMDDNHRTSA-N 320.179 -0.241 50 20 DBGD O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(B(O)O)c1 584932383 SLQPDPZSEHBZBP-AWEZNQCLSA-N 315.138 -0.006 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H](c2ncon2)C1 584972761 GTLJNAWBOCQMOP-NSHDSACASA-N 321.073 -0.898 50 20 DBGD OC[C@@H]1CCCN1CCCCNCc1ccc(B(O)O)cc1F 585024225 VNCCQHZGTULTNH-HNNXBMFYSA-N 324.205 -0.168 50 20 DBGD OCCOC1(CNCc2ccccc2B(O)O)CCOCC1 585040725 APKGNXPQJSMNSB-UHFFFAOYSA-N 309.171 -0.986 50 20 DBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCB(O)O)c1 585057041 IZSCAKZFXTXDSX-UHFFFAOYSA-N 314.172 -0.541 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCN1C(=O)CCC1=O 732084442 HVIYDZZRLAORPT-UHFFFAOYSA-N 307.310 -0.592 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CN2CCOCC2)C1 741809868 SGBQXBAFDHTXPD-OLZOCXBDSA-N 312.414 -0.414 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCOCCS(C)(=O)=O 743639766 ICVWIPRGAKRFHB-UHFFFAOYSA-N 309.388 -0.576 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)c1ccccn1 759678185 JNFAVLNCBKZNAN-UHFFFAOYSA-N 302.290 -0.281 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 764420928 HBQSSGUEDIHNRQ-UHFFFAOYSA-N 318.289 -0.217 50 20 DBGD O=C(NNC(=O)C1(O)CCSCC1)C(=O)N1CCCC1 764948585 QBKXOVQXAPQYNZ-UHFFFAOYSA-N 301.368 -0.986 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H]2CNC[C@H]2C1 766859048 SNVSTDDIYVTNAQ-GJZGRUSLSA-N 316.405 -0.164 50 20 DBGD CC(CCn1cccn1)=NNC(=O)[C@@H](C)NS(C)(=O)=O 776768166 DCXUJRREJDXFGQ-SNVBAGLBSA-N 301.372 -0.297 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2c(N)cccc2[N+](=O)[O-])cn1 779517651 CUMKWIIVAHAWLS-UHFFFAOYSA-N 304.266 -0.015 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 783954985 WCJBCNAFCIOZHB-QMMMGPOBSA-N 324.362 -0.754 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccn(C2CCN(C)CC2)n1 786703711 ITISTQJMFUSMSD-UHFFFAOYSA-N 323.401 -0.136 50 20 DBGD CS(=O)(=O)C1(C(=O)NNc2cc(Cl)nc(N)n2)CC1 792310819 NXFRNYSTBRQZQI-UHFFFAOYSA-N 305.747 -0.268 50 20 DBGD COC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1 824177119 LGFQNMLDGBORFV-XYPYZODXSA-N 306.322 -0.094 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1([S@@](C)=O)CC1 826711067 WIXYLJNIPIHFLZ-MMXNHZJYSA-N 303.384 -0.347 50 20 DBGD Cc1nccnc1N1CCN(CC(=O)NNC(=O)C(C)C)CC1 829457910 CTQPCWGGAJQKJR-UHFFFAOYSA-N 320.397 -0.290 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1sccc1-n1cnnn1 843647138 RVTJQHPMHDMAPU-JGVFFNPUSA-N 322.350 -0.090 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)Cc1ccccc1 843972278 DUPCTVUWVQCBNN-DGCLKSJQSA-N 319.361 -0.082 50 20 DBGD CN(C)CCn1cc(NC(=O)NNC(=O)c2ncccn2)cn1 844831261 ZPKIVGUYPIXBQU-UHFFFAOYSA-N 318.341 -0.299 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 845085068 SCKSRTWRAQKFLH-NSHDSACASA-N 311.363 -0.298 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 852394531 UIOYDBQGZZCEQL-FIQHERPVSA-N 324.381 -0.247 50 20 DBGD Cc1nc(C=NNC(=O)CSc2nnc(O)nc2O)[nH]c1C 853284650 GYFVHXWCEUQVBK-UHFFFAOYSA-N 323.338 -0.135 50 20 DBGD CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)CO 857169102 FRVVQKNOHKONRL-DTWKUNHWSA-N 301.343 -0.181 50 20 DBGD COCc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858128254 GRSPMXMNKPVZJB-LBPRGKRZSA-N 320.349 -0.058 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNC(=O)NCC3CC3)CC2=O)cn1 858782654 ZWYZEIXTBOAXQQ-JTQLQIEISA-N 320.353 -0.487 50 20 DBGD CCOC(=O)N1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1 863878380 DOZNLRVMBKKDFU-LBPRGKRZSA-N 306.127 -0.673 50 20 DBGD O=C1CN(CC(=O)NNC(=O)CCc2ccccc2)CCN1 900477626 ZGKNDDXOLZXNQS-UHFFFAOYSA-N 304.350 -0.802 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 916562792 ZIUXJXDYJBFMTE-JTQLQIEISA-N 320.349 -0.086 50 20 DBGD CC(C)COCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883569 BJWZHKYCZDCDMA-JTQLQIEISA-N 321.399 -0.433 50 20 DBGD CC(C)c1[nH]ccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 1118271647 WGJQALNDMQCCME-MRVPVSSYSA-N 316.383 -0.163 50 20 DBGD COc1cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 1118798614 FPRARXUDKQJXNC-VIFPVBQESA-N 307.310 -0.801 50 20 DBGD CNC(=O)NNC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 1318118601 UUWDCSDRSORMDD-UHFFFAOYSA-N 304.303 -0.229 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 1320231803 IWLMVSVKJPGUMM-UHFFFAOYSA-N 316.321 -0.178 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CCCS1(=O)=O 1326811711 HGKACBRTXKELMP-VIFPVBQESA-N 322.350 -0.317 50 20 DBGD CN(C)N(C(=O)C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1328705873 XPCJQEZZILXPBW-NXEZZACHSA-N 303.384 -0.853 50 20 DBGD C[C@H]1C(=O)CC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1(C)C 1329208448 QTOMXLSLUOGAKB-DTWKUNHWSA-N 318.395 -0.180 50 20 DBGD COC[C@H]1COCCN1C(=O)NNC(=O)c1cccc(F)n1 1341115900 ZIGRBOXXHKBOSQ-VIFPVBQESA-N 312.301 -0.078 50 20 DBGD COc1ccc(COCCC(=O)NNC(=O)NCCN)cc1 1579218140 VQGPXCLSJKHCPE-UHFFFAOYSA-N 310.354 -0.109 50 20 DBGD N#Cc1ccc([C@H](NNC(=O)[C@H]2CCC(=O)N2)C(=O)O)cc1 1601096540 HIJAMCQGWUUSQR-PWSUYJOCSA-N 302.290 -0.417 50 20 DBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)COc1ccc(F)cc1 1604463462 PWCSCGNVYSROFR-ZDUSSCGKSA-N 314.269 -0.158 50 20 DBGD O=C(NC[C@H]1CCN(CC(F)(F)F)C1)NNC(=O)C(=O)O 1608434519 KWAUQLLFQMGAIW-ZCFIWIBFSA-N 312.248 -0.714 50 20 DBGD COc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)C(=O)O 1610279066 PFTPKKRGBNEFFG-UHFFFAOYSA-N 315.669 -0.481 50 20 DBGD Cc1cc2nc(C)c(CCC(=O)NNC(=O)CO)c(C)n2n1 180958815 WTNNBOHCJFQVBR-UHFFFAOYSA-N 305.338 -0.273 50 20 DBGD CC(C)NC(=O)CNC(=O)NNC(=O)COc1ccccc1O 264639015 VIVXYDQJIIZTBO-UHFFFAOYSA-N 324.337 -0.374 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)C1 266810182 VGYHBCMRJVDAAF-ZDUSSCGKSA-N 318.333 -0.585 50 20 DBGD CCN(CCCO)CC(=O)NNC(=O)Cc1nc(C)cs1 266875601 SPZDFTFOUVUKCD-UHFFFAOYSA-N 314.411 -0.154 50 20 DBGD Cc1[nH]nc(C(=O)NNC(=O)N2CCN(C)CC2)c1[N+](=O)[O-] 282838620 FAUWRRQDJJLCOV-UHFFFAOYSA-N 311.302 -0.772 50 20 DBGD COC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1 298316603 WXVAWRNPQAZCAD-UHFFFAOYSA-N 301.324 -0.258 50 20 DBGD O=C(CN1CCN2C(=O)OC[C@@H]2C1)NNC(=O)c1ccccc1 372802536 NAASCBGJUXWSDJ-LBPRGKRZSA-N 318.333 -0.416 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)Cn1cnc2ccccc21 494122697 CZCLVAGRKVSQTK-VIFPVBQESA-N 319.321 -0.072 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)CN(C)C)C2 496114003 HOTPAEZOUWIGJH-AXFHLTTASA-N 310.354 -0.662 50 20 DBGD O=C(NCCCN1CCCCC1=O)c1ccc(B(O)O)cc1 584940939 BTJALSIMQGMNPR-UHFFFAOYSA-N 304.155 -0.501 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)c3ccc(B(O)O)c(F)c3)CC[C@H]2N1 585006287 CLAJDJOIIGVOEV-ZWNOBZJWSA-N 320.129 -0.754 50 20 DBGD CS(=O)(=O)C1CCC(NCc2ccc(B(O)O)o2)CC1 585025007 JQXGWIWMESJQEH-UHFFFAOYSA-N 301.173 -0.595 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](B(O)O)C2)C1 585069153 LTQQZONFGVHRMS-WDEREUQCSA-N 318.204 -0.877 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)c(F)cc1F 732046616 QQGOMUQQAWWCGG-UHFFFAOYSA-N 323.277 -0.126 50 20 DBGD CNC(=O)C1(C(=O)NNc2nc3ccccc3c(=O)n2C)CC1 733263175 MCUQRVGVHCFACO-UHFFFAOYSA-N 315.333 -0.097 50 20 DBGD CN(C)CC(=O)NNC(=O)CCc1ccc(-c2nn[nH]n2)cc1 736762869 KWLWBHBRWUDJGX-UHFFFAOYSA-N 317.353 -0.492 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=S)N[C@H](C)C1CC1 751621031 ONMCABQHPBALIP-HTQZYQBOSA-N 307.441 -0.039 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC(=O)N(CC(F)(F)F)C1 753829394 RFFLCJGJBUIKEQ-ZETCQYMHSA-N 310.276 -0.404 50 20 DBGD CCOC[C@H](C(=O)OC)N(C)CC(=O)NNC(=O)C(C)(C)C 764347341 PPWJOCXRTDPFDC-SNVBAGLBSA-N 317.386 -0.310 50 20 DBGD Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NNC(=O)CO 764421690 QMKPPNUWRDBMHV-UHFFFAOYSA-N 320.349 -0.327 50 20 DBGD COc1ccc(NNC(=O)CN2CC(=O)NC2=O)c([N+](=O)[O-])c1 768335094 FQPGJOKCEGQVBE-UHFFFAOYSA-N 323.265 -0.402 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCS1(=O)=O 772413756 ZARBLYBFNAPWPU-BDAKNGLRSA-N 320.367 -0.557 50 20 DBGD Cc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)CO)cc1 777782184 WEIFWSVNDCNGET-UHFFFAOYSA-N 321.362 -0.318 50 20 DBGD COc1cccc(NNC(=O)CCCN2C(=O)CNC2=O)n1 781023599 CIAZNLZUUAQGPI-UHFFFAOYSA-N 307.310 -0.135 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ncncc1Cl 781834126 WBFHJTBHRVSWND-UHFFFAOYSA-N 307.763 -0.099 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 795083390 ASFCGVKXTNGUNS-NXEZZACHSA-N 305.400 -0.701 50 20 DBGD C[C@H](CNC(=O)NNC(=O)CCc1ccco1)S(N)(=O)=O 799904155 KMLZKZHGBJHYAH-MRVPVSSYSA-N 318.355 -0.780 50 20 DBGD CNC(=O)NCCC(=O)NNc1cccc(S(C)(=O)=O)c1 815967470 BKLAGJCFBDUTNQ-UHFFFAOYSA-N 314.367 -0.148 50 20 DBGD CN(NC(=O)c1cc(S(C)(=O)=O)ncc1Cl)C(N)=O 816958412 QXENIBSQVQXCJQ-UHFFFAOYSA-N 306.731 -0.206 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3C[C@H]2C(=O)O3)c1 830688963 ZDAVTNSLQDONBE-NEPJUHHUSA-N 303.318 -0.244 50 20 DBGD CCOCCn1cc(C(=O)NNC(=O)N2CCOCC2)cn1 857707825 CGNZKXBCBIYQNI-UHFFFAOYSA-N 311.342 -0.394 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccco1 858697579 UDTDXXDOMKQTSF-RKDXNWHRSA-N 310.310 -0.424 50 20 DBGD CCC(CC)[C@H](O)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858698460 VPLKODKCTLWKDN-VHSXEESVSA-N 300.359 -0.608 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)c2cn[nH]c2)n1 861183941 WYKUXSFKNXSGIB-UHFFFAOYSA-N 322.285 -0.969 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN1CC(=O)N(C)C1=O)C1CC1 862150144 HJGZWQQPUALOSH-ZETCQYMHSA-N 313.383 -0.826 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)NCCCOC)cn1 1115983555 PNYVXROEXBVZIY-UHFFFAOYSA-N 309.326 -0.578 50 20 DBGD CCOCC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1116920787 KGDRQVLYNOWCBO-VIFPVBQESA-N 319.383 -0.679 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)nc2)N1 1118798706 HHJVDRUYKUWRKP-QMMMGPOBSA-N 311.729 -0.156 50 20 DBGD CN(C)CCCNC(=S)NNC(=O)CCN1CCOCC1 1317717263 UBPCQASGFWBQQQ-UHFFFAOYSA-N 317.459 -0.844 50 20 DBGD COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(C)=O 1321285347 CNILGXFZDNISEY-UHFFFAOYSA-N 322.364 -0.572 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cc(C)on1 1322311121 OVSAOORDTHQHSQ-VIFPVBQESA-N 300.315 -0.135 50 20 DBGD CCCNC(=O)NNC(=O)c1nnn(Cc2noc(C)n2)c1C 1324822109 AHQSXEAXONCHJL-UHFFFAOYSA-N 322.329 -0.320 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 1325873429 FUKXWQSWKUVLOQ-MRVPVSSYSA-N 309.326 -0.414 50 20 DBGD CNS(=O)(=O)c1ccc(Br)c(C(=O)NN)c1 1326271498 YTFBYGUFOXUGGV-UHFFFAOYSA-N 308.157 -0.039 50 20 DBGD O=C(NNC(=S)NCC1CC1)N[C@@H]1CCS(=O)(=O)C1 1327890747 ZYLMJSIRJSRZHT-MRVPVSSYSA-N 306.413 -0.738 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cc(C(=O)O)ccn2)cn1 1594530291 KIVSBFSGOBCFCU-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD Cc1oc(CNC(=O)c2ccc(B(O)O)cc2)cc1C(=O)O 1608048704 RUDHMGXPFWKPFF-UHFFFAOYSA-N 303.079 -0.104 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)[C@H]2CCCO2)C1 1843105595 WJEKIOBSDUVPLM-WDEREUQCSA-N 316.785 -0.032 50 20 DBGD Cc1occc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 42872758 YTHIGRKJIWWFIB-MRVPVSSYSA-N 301.324 -0.281 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)CCNC(N)=O)cc1 63123041 QFYZACZTIULANN-UHFFFAOYSA-N 308.338 -0.166 50 20 DBGD O=C(CN1CCN(CCO)CC1)NNC(=O)c1ccccc1 98068856 GASWKDMHDKGLLT-UHFFFAOYSA-N 306.366 -0.943 50 20 DBGD COC(=O)C1(C(=O)NNC(=O)COc2ccccc2O)CC1 274259350 AWYAPQLBCCQPRE-UHFFFAOYSA-N 308.290 -0.128 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc([N+](=O)[O-])cc1C 288744570 PWGZKSXVJUEHSD-UHFFFAOYSA-N 302.312 -0.104 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C[C@H]2CCCC(=O)N2)n1 288812680 BSZHTNFXQJKMLF-LLVKDONJSA-N 307.354 -0.294 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)cc1C(=O)O 291791796 AUTNCSNDIKIYJH-VIFPVBQESA-N 317.323 -0.788 50 20 DBGD CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(B(O)O)ccc1F 584939069 KVWKVBQERIJCMQ-BDAKNGLRSA-N 310.134 -0.462 50 20 DBGD C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(B(O)O)c(F)c1 584944859 CVOFNBQYAHDREP-JQWIXIFHSA-N 306.146 -0.186 50 20 DBGD Cn1ccnc1N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584961132 ZEVWHYCRNBOAMZ-UHFFFAOYSA-N 314.154 -0.938 50 20 DBGD CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1cccc(B(O)O)c1)C[C@@H]3C2 584988389 MOSPKEDWNKLVKL-IXDBCEGASA-N 301.151 -0.138 50 20 DBGD O=C1CC[C@@H](NCc2ccc(B(O)O)cc2F)C2(CCC2)N1 585040673 AIWXFJGZKMOKRA-CYBMUJFWSA-N 306.146 -0.204 50 20 DBGD O=S1(=O)CC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585049753 VPWAHQHOKDWIRS-VIFPVBQESA-N 308.124 -0.682 50 20 DBGD CC(C)(O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744910949 UOYVGPIIGMHIHC-UHFFFAOYSA-N 305.290 -0.367 50 20 DBGD COc1ccnc(NNC(=O)NCc2nnnn2C2CC2)n1 745910649 QFVMCWDJQPWDSV-UHFFFAOYSA-N 305.302 -0.367 50 20 DBGD CC(C)CC(=O)NNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 753116223 PJMBSERUAHWFKE-SNVBAGLBSA-N 320.415 -0.213 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)N2CCOCC2)s1 795819309 MIEXMYOWUYEQNM-UHFFFAOYSA-N 315.355 -0.564 50 20 DBGD N[C@@](C(=O)NNC(=O)CO)(c1cccc(F)c1)C(F)(F)F 807195636 JEMXBRNFODRFSR-SNVBAGLBSA-N 309.219 -0.318 50 20 DBGD O=C(CNS(=O)(=O)c1cccnc1)NNc1ncccn1 810058221 QADBVMCYWNBXQA-UHFFFAOYSA-N 308.323 -0.707 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)COc1ccccc1OC 814208955 PJCHNVUZADJDHH-UHFFFAOYSA-N 324.337 -0.460 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@](C)(O)Cc2ccccc2)CC1 819721385 RHWQYFDETFXNBH-MRXNPFEDSA-N 320.393 -0.032 50 20 DBGD CCC[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)S(N)(=O)=O 826089897 RLDUQBBKEWVXDI-LLVKDONJSA-N 324.362 -0.224 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)C2(S(N)(=O)=O)CC2)c1 845439084 RZOYJFLQUIMOFT-UHFFFAOYSA-N 308.319 -0.860 50 20 DBGD CC(=O)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 849133097 ASIRBCLNDDTZCC-UHFFFAOYSA-N 310.335 -0.341 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCNC2=O)c1 854201757 SLNVOGGRVTVARL-LLVKDONJSA-N 307.306 -0.399 50 20 DBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)N1CCN(C)CC1 854379265 UYJDVWXCSYOOKM-LBPRGKRZSA-N 311.386 -0.624 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C(C#N)=C/c2cnn(C)c2)CC1 854383166 XSOOWKDCXPVLST-KPKJPENVSA-N 317.353 -0.685 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1cccc(Cl)n1 854604138 SZVYTNDQYWNRLC-UHFFFAOYSA-N 307.763 -0.426 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)[C@@H]1CCCCO1)S(N)(=O)=O 854683026 JXWSJPMGOUECEO-IUCAKERBSA-N 307.372 -0.840 50 20 DBGD CCCC[C@](C)(F)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 857116624 KSXUAHZNOWYELH-KWQFWETISA-N 311.379 -0.010 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)NC[C@H]1COCCN1 861683647 WIBBOUZFNSZJLU-ZDUSSCGKSA-N 306.366 -0.144 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2coc3c2C(=O)CCC3)N1 862462153 VAPNNNBTNYHVJR-MRVPVSSYSA-N 305.290 -0.162 50 20 DBGD O=C(NC1CCC2(CC1)OCCO2)c1cc(B(O)O)ccc1F 863870020 XAVHWMRVCPVHSI-UHFFFAOYSA-N 323.129 -0.079 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN2C)C[C@@H](C)O1 895511950 ZJORLDBERCFOAL-UPJWGTAASA-N 312.414 -0.273 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1COc2ccccc21 913730772 IQHUQRNHYINMOJ-NSHDSACASA-N 303.318 -0.068 50 20 DBGD COc1cc(S(=O)(=O)NNC(C)=O)cc(C(=O)O)c1OC 917717698 JVCYXHTYGBRTNA-UHFFFAOYSA-N 318.307 -0.269 50 20 DBGD COC[C@H](CNC(=O)NNc1nncc(N)c1Cl)OC 1116521767 WYABBNSZZRRJFU-LURJTMIESA-N 304.738 0.000 50 20 DBGD C=CCNC(=S)NNC(=O)CCC[C@]1(C)NC(=O)NC1=O 1116895864 DNLWVOGODVCMOW-LBPRGKRZSA-N 313.383 -0.564 50 20 DBGD NC(=O)C(=O)NN=Cc1cc(O)c(O)c(Br)c1 1319589266 YEFBTPVCVBNWOK-UHFFFAOYSA-N 302.084 -0.204 50 20 DBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320224334 NVAOFMSKHQOYSX-UHFFFAOYSA-N 309.278 -0.656 50 20 DBGD C[C@H]1CCS(=O)(=O)CCN1CC(=O)NNC(=O)C1CC1 1320784836 BVPIHQIELZKKCE-VIFPVBQESA-N 303.384 -0.947 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N(C)CCS(C)(=O)=O)n1 1321506681 IKWZFLIUZLNJJH-UHFFFAOYSA-N 314.367 -0.279 50 20 DBGD CCCOc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)OC 1321667583 IHNYUQOCFPGTPY-UHFFFAOYSA-N 323.305 -0.266 50 20 DBGD C[C@@]1(NNC(=O)NCc2ccc(C#N)cn2)CCS(=O)(=O)C1 1323853224 IIWGEVAPOGYSSE-CYBMUJFWSA-N 323.378 -0.166 50 20 DBGD CNC(=O)CCCCC(=O)NNC(=O)CNC(=O)c1ccco1 1325232058 BEHLZRFILYQPSK-UHFFFAOYSA-N 324.337 -0.537 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H](C)N1C(=O)CCC1=O)C1CC1 1328758121 YSIHJPQADXETDZ-HTQZYQBOSA-N 312.395 -0.182 50 20 DBGD C[C@@H]1C(=O)CC[C@H]1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1344365661 DUKGKZDVEHUSIW-LPEHRKFASA-N 316.379 -0.426 50 20 DBGD NC[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1580323933 TYGGUCQHSSDQIF-RYUDHWBXSA-N 318.381 -0.565 50 20 DBGD CC(C)(NC(=O)c1cccc(B(O)O)c1)c1cc(C(=O)O)on1 1590863986 LIOXHVODDRZGFO-UHFFFAOYSA-N 318.094 -0.282 50 20 DBGD Cn1c(NNC(=O)[C@@H](N)CC(=O)O)nc2ccccc2c1=O 1600921996 QBYIWAQLBCSLJW-QMMMGPOBSA-N 305.294 -0.821 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNc1ccccc1C(=O)O 1601264323 GOLGHYZOYKPMPO-SECBINFHSA-N 306.278 -0.184 50 20 DBGD O=C(O)[C@H](Cc1ccc(F)cc1)NNC(=O)[C@H]1COCCO1 1601662180 WOSICBQSCQFPLS-NWDGAFQWSA-N 312.297 -0.142 50 20 DBGD CC(C)(O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1603171310 IHBNJRPVFLFFDK-UHFFFAOYSA-N 304.310 -0.211 50 20 DBGD C[C@@H](O)CN(C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 1603699389 IOGOSBADZMHMCU-SECBINFHSA-N 306.326 -0.411 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1=O 1606255536 CGDANUJNSBCPSB-UHFFFAOYSA-N 301.270 -0.955 50 20 DBGD Cc1cc(C(=O)O)ccc1NC(=O)C(=O)NNC(=O)CCO 1607594588 CBWZAPUXPUFNMA-UHFFFAOYSA-N 309.278 -0.838 50 20 DBGD O=C(CC1CC1)NNC(=O)C(=O)Nc1cccc(C(=O)O)n1 1608291364 AMGLXVNTKZSEGV-UHFFFAOYSA-N 306.278 -0.334 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1cc(Cl)ncc1C(=O)O 1776097285 WOLVORONFWWXFY-UHFFFAOYSA-N 319.726 -0.072 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 31665886 IMQRLVVMOWPTFD-UHFFFAOYSA-N 304.328 -0.676 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)N1CCOCC1 268180763 LBKXRCAQHSSHJP-UHFFFAOYSA-N 311.342 -0.511 50 20 DBGD Cc1csc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n1 273562527 WRMIJATYPUGVPZ-LURJTMIESA-N 321.384 -0.458 50 20 DBGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1C 274032677 DBUGQQMWKQDILJ-UHFFFAOYSA-N 320.349 -0.155 50 20 DBGD COC(=O)c1cccc(NNC(=O)CCn2ncn(C)c2=O)c1 293364902 CWROVKNGJVYKCN-UHFFFAOYSA-N 319.321 -0.098 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccc2OCC(N)=O)O1 293824628 FRZDVPFKOANPGS-CABZTGNLSA-N 321.333 -0.121 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CNC(=O)c2ccccn2)O1 294363212 VMXYFEYQTKFZOT-ONGXEEELSA-N 306.322 -0.474 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1COCCO1 299232478 QMTVMNIZNHBHGO-GFCCVEGCSA-N 310.306 -0.363 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)C(=O)N1CCCC1 299532670 ZTQKMQYHLFKBCL-SNVBAGLBSA-N 324.381 -0.549 50 20 DBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1n[nH]c(C)n1 584952973 RMBPJLVCNVHNIF-LLVKDONJSA-N 306.106 -0.187 50 20 DBGD COCCN1CCC(CNCc2ccccc2B(O)O)CC1 585020290 RPGBTKJUKOGLFV-UHFFFAOYSA-N 306.215 -0.186 50 20 DBGD COc1ccccc1C(=O)NNC(=O)c1cn(C)c(=O)nc1O 731491516 PFRWDLXYRBYQCB-UHFFFAOYSA-N 318.289 -0.431 50 20 DBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)C1CCC1 732241533 LISLAFKLLLHCOM-UHFFFAOYSA-N 320.415 -0.212 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cnn(C)c2)C1 735445538 ZMDQMWWMLOIWHA-SNVBAGLBSA-N 307.354 -0.170 50 20 DBGD CC(=O)NC1(C(=O)NNC(=O)N2CCOCC2)CCCCC1 745986415 SRNNZSHSYJOYNN-UHFFFAOYSA-N 312.370 -0.102 50 20 DBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)on1 753485878 BWRBDMXWFJHBQO-UHFFFAOYSA-N 324.318 -0.064 50 20 DBGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)CO)ccc1C 755514457 HSHXGWWQAASSCJ-UHFFFAOYSA-N 316.339 -0.952 50 20 DBGD Cc1oc(C(=O)NNC(=O)c2ccncc2)cc1S(N)(=O)=O 756079034 FSXREQQAIXQBJQ-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD O=C(CNC(=O)C1CC1)NNc1nccc(N2CCOCC2)n1 762851778 FTRKOTQBGNPXAJ-UHFFFAOYSA-N 320.353 -0.718 50 20 DBGD COc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764203668 AZGZPYJKYFFJOJ-UHFFFAOYSA-N 319.321 -0.786 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2cc(C#N)cc(Cl)n2)C1=O 769078892 VYQHHJJXGDYOCB-UHFFFAOYSA-N 322.712 -0.056 50 20 DBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C 814546431 CBXBXLPWDZEICD-GFCCVEGCSA-N 306.318 -0.225 50 20 DBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1 814547419 ZKBUOSXFNWUSGU-QMMMGPOBSA-N 313.335 -0.768 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c1=O 814762077 MDIRAAVENKOZAO-UHFFFAOYSA-N 321.312 -0.499 50 20 DBGD C[C@@H]1C[C@H](C(=O)O)CCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 814835004 DOEYKNKEPHDSBE-IWSPIJDZSA-N 319.383 -0.083 50 20 DBGD C=CCC(F)(F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 815101477 ALDFNNDURULLPD-SSDOTTSWSA-N 311.310 -0.285 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)[C@@H]1CCCO1 826649011 TXMDGGCLQANZKG-USZNOCQGSA-N 315.370 -0.064 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NC3CN(C(=O)O)C3)nc21 831055032 OAUYKTUMNOXNBS-UHFFFAOYSA-N 322.285 -0.943 50 20 DBGD C[C@H](CNS(=O)(=O)CCl)N(C)S(=O)(=O)CCl 831468077 KTCHHKIZXXUYQN-ZCFIWIBFSA-N 313.228 -0.052 50 20 DBGD CC(=O)c1cccc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 833404073 WDIIBPGICOPLCB-UHFFFAOYSA-N 315.307 -0.534 50 20 DBGD Cc1nn(CC(=O)NNc2ccc([N+](=O)[O-])cc2)c(=O)n1C 847599481 FCWPAOBPQYRPPA-UHFFFAOYSA-N 306.282 -0.058 50 20 DBGD NS(=O)(=O)N1CCC[C@H](C(=O)NNc2cccc(F)n2)C1 854443284 TTZZCANJTOXZQX-QMMMGPOBSA-N 317.346 -0.421 50 20 DBGD C[C@H]1CN(CCCNC(=O)NNC(=O)c2cn[nH]c2)C[C@@H](C)O1 858128051 ZKMHMEWMLQKYCI-PHIMTYICSA-N 324.385 -0.147 50 20 DBGD CCO[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 858750073 KCVSRBNRMNDDTC-NXEZZACHSA-N 319.383 -0.681 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](F)Cc1ccccc1 863464441 PDFSTMVRKRFHSA-SNVBAGLBSA-N 302.327 -0.241 50 20 DBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C(=O)OC(C)(C)C 863466318 TXHBKHAPRITODJ-ZETCQYMHSA-N 308.356 -0.844 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](O)C(F)(F)F 863886395 YJMXSNSRFIHKEU-ANLVUFKYSA-N 309.024 -0.453 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1C 1317977091 AEGIAZCLTMEFSX-SECBINFHSA-N 314.367 -0.535 50 20 DBGD NC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)C2CCC2)c1 1320358832 ZHZRUAOSMMQLLM-UHFFFAOYSA-N 322.296 -0.189 50 20 DBGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNC(=O)C3CC3)ccc21 1321131470 SRMWJIUVRPSCBF-UHFFFAOYSA-N 316.317 -0.299 50 20 DBGD CN(C)N(C(=O)CCn1ccnc1)[C@H]1CCS(=O)(=O)C1 1324129448 VBVCAEWYYGUZDM-NSHDSACASA-N 300.384 -0.235 50 20 DBGD CN(NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(N)=O 1337072651 HHKFXWZOWTTZEM-UHFFFAOYSA-N 305.294 -0.606 50 20 DBGD Cn1c(NNC(=O)C(=O)NCC2CC2)nc2ccccc2c1=O 1343480940 JZPBMSBYVOIUMI-UHFFFAOYSA-N 315.333 -0.097 50 20 DBGD CN(C)N(C(=O)CCCn1cncn1)[C@H]1CCS(=O)(=O)C1 1350718296 ZRMOAHLQZWQEEK-NSHDSACASA-N 315.399 -0.449 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)[C@H]2CCCNC2)cn1 1579324336 JJALMWQLDNLWKW-WYGGZMRJSA-N 305.338 -0.355 50 20 DBGD O=C(NCCC[C@@H]1CCCN1)NNC(=O)[C@@H]1COCCO1 1580680219 JXXVHRDNGLERIQ-QWRGUYRKSA-N 300.359 -0.736 50 20 DBGD O=C(NNC(=O)c1cn2c(n1)COCC2)NC1CCNCC1 1580736977 FREBACANJGONLT-UHFFFAOYSA-N 308.342 -0.891 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccnn2)CO1 1595006832 VWRZENNJFXMROC-DTWKUNHWSA-N 308.294 -0.493 50 20 DBGD Cn1ccc([C@@H](NS(=O)(=O)CBr)C(=O)O)n1 1600976740 UYSXNQKVWYXGGI-ZCFIWIBFSA-N 312.145 -0.182 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)COCC(=O)O)cc1C 1605288534 VXJUFJKRUVZRNR-UHFFFAOYSA-N 323.305 -0.509 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)o2)cn1 1609478145 CVKQDJGSZFSWGQ-UHFFFAOYSA-N 302.254 -0.732 50 20 DBGD Cc1occc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 42872760 YTHIGRKJIWWFIB-QMMMGPOBSA-N 301.324 -0.281 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)CC(C)(C)C)nn1 264034396 NTRCHMBVOCMJOX-UHFFFAOYSA-N 310.358 -0.437 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCCC(=O)OC 267226592 VTRNHMYTNDOVKF-SECBINFHSA-N 305.331 -0.679 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CC(=O)N(C)C2)cc1 267784406 YSPUSZYNCWFEHM-LLVKDONJSA-N 320.349 -0.065 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1sc(C)nc1C 272455166 NCZHMFDVPWCPGA-UHFFFAOYSA-N 322.368 -0.575 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1F 273461925 HSXWSDVFNKYTMQ-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNc1nc2ccccn2n1 276810660 LNWIAJSAAVIMFE-UHFFFAOYSA-N 324.366 -0.044 50 20 DBGD CN(C)C(=O)NNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 277110099 MZFRRPOEALVQQT-OAHLLOKOSA-N 320.349 -0.304 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3c(c2)nnn3C)CC1 278590930 KJVZEQAHPDHQCT-UHFFFAOYSA-N 317.353 -0.430 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)O1 279583795 GYMXEFKETVLNDM-ZJUUUORDSA-N 322.277 -0.611 50 20 DBGD C=C[C@@](C)(O)CC(=O)NNC(=O)CNC(=O)c1cccs1 289631431 CBUIPNGFQDYBJH-CYBMUJFWSA-N 311.363 -0.048 50 20 DBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)cn1 292160478 WCRKCSKTNXQVMZ-JTQLQIEISA-N 315.351 -0.031 50 20 DBGD Cn1c(O)nc(=O)c2cc(C(=O)NNC(=O)C3CC3)cnc21 298138791 FJZAZKJQJOBMOX-UHFFFAOYSA-N 303.278 -0.795 50 20 DBGD COCCOCC(=O)NNC(=O)CNC(=O)c1cccs1 299708393 YTZHAUZCBBKIRJ-UHFFFAOYSA-N 315.351 -0.712 50 20 DBGD CCOC(=O)[C@H]1CCCN(S(=O)(=O)NN(C)C(=O)OC)C1 495869533 PNJQSMWHMVZHBU-VIFPVBQESA-N 323.371 -0.291 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)OC(C)(C)C 496864406 OPZRRWVROXPWAR-UHFFFAOYSA-N 310.376 -0.383 50 20 DBGD O=C1N[C@]2(C(=O)Nc3cccc(B(O)O)c3)C[C@H]3C[C@H]1[C@H]2C3 584911668 LJGKYTCLOJCHRQ-GTEUGTGKSA-N 300.123 -0.780 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCSC1 584941354 BFPZVBIOCHUWAB-ZDUSSCGKSA-N 309.196 -0.040 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H](N2CCCC2=O)C1 584946263 QINGIEFXZDYOKK-CQSZACIVSA-N 316.166 -0.407 50 20 DBGD O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(B(O)O)c(F)c1 584965384 RCCBOJJFQYGVIV-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD CC1(C)CN(C(=O)c2ccc(B(O)O)cc2)C[C@]2(CCOC2)O1 584982790 IRDGTQGEXFLPGG-INIZCTEOSA-N 319.166 -0.224 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)cc2F)C[C@@H]2CCCCN12 585044783 UCYWLTLMZXTBBW-JSGCOSHPSA-N 306.146 -0.252 50 20 DBGD O=C1C[C@@H](C(=O)N2CC[C@H](B(O)O)C2)CN1Cc1ccco1 585066467 OSQMOFOUEIXGSJ-MNOVXSKESA-N 306.127 -0.297 50 20 DBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)NC 730532868 BTSSQXLGDRPLRG-SSDOTTSWSA-N 312.417 -0.992 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCC2)C1 732142991 OBTGQCRNYXEZSR-LLVKDONJSA-N 317.411 -0.004 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCCO2 739453087 CNEHXDKVEUFLAJ-DTWKUNHWSA-N 306.274 -0.061 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746096239 QUXUIPHBMQBXDC-UNQZSWDGSA-N 323.349 -0.659 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](N2CCCC2=O)C1 761114706 NOIZDCZOCDQCBU-NSHDSACASA-N 310.398 -0.123 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C[C@@H](NC(N)=O)c1ccccc1 768259264 IJQPROVMRFWNDI-SNVBAGLBSA-N 308.338 -0.296 50 20 DBGD O=C(CN[C@H]1CCCC[C@H]1N1CCOCC1)NNC(=O)C1CC1 769799533 HLRROGRNADGJGJ-UONOGXRCSA-N 324.425 -0.223 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(C)nn(C)c1OC 772116594 VMKPXHURYJSWLD-MRVPVSSYSA-N 312.326 -0.160 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCC1(O)CCC1 807264546 RXBUAFZJBBBQNK-JTQLQIEISA-N 303.359 -0.327 50 20 DBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccnnc1)CS2 843908651 OEDUEDPQDDEKSP-NOZJJQNGSA-N 321.362 -0.308 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1nnnc1-c1ccsc1 844133373 WSBHVOFDEIBMHJ-UHFFFAOYSA-N 309.355 -0.889 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1ncccn1 852622874 GZCNXPHWAZOGAM-UHFFFAOYSA-N 324.341 -0.168 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](O)c1cnn(C)c1 854388635 RBTDLVBDPHVOBI-SNVBAGLBSA-N 314.342 -0.610 50 20 DBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N1 854606485 JHDSCBXLMOJNHY-SECBINFHSA-N 312.351 -0.732 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=S)N[C@@H](C)C1CC1 855098784 MALLWNJAXYCSSC-QMMMGPOBSA-N 302.400 -0.615 50 20 DBGD COc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1O 862461063 LGVCBFXRTUWIDZ-QLCVYAKKSA-N 319.317 -0.160 50 20 DBGD CN1CCc2cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc21 863465136 UTPZOPUGIKEJGK-UHFFFAOYSA-N 311.363 -0.516 50 20 DBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)CS(C)(=O)=O 863467408 VZORNILMOJWPED-JTQLQIEISA-N 321.399 -0.881 50 20 DBGD Cc1noc2ncc(S(=O)(=O)N3CC[C@H](B(O)O)C3)cc12 864230756 FKTHGEJKICYFOI-QMMMGPOBSA-N 311.128 -0.231 50 20 DBGD C[C@]1(C(=O)NNC(=O)CS(C)(=O)=O)C[C@H]1Br 913242426 FHEPPNPKBMDSDI-XRGYYRRGSA-N 313.173 -0.648 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1noc2c1CCCC2 920433563 VSWIVEGENKLECR-UHFFFAOYSA-N 306.322 -0.063 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cncc(F)c1 1319101108 YWQQMNZQJHWAAS-SSDOTTSWSA-N 301.299 -0.584 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](CC(N)=O)C1CCOCC1 1320221876 ZSGDMITWPNYQAS-KOLCDFICSA-N 314.386 -0.808 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCO[C@@H](C2CC2)C1 1320546743 VHYUBENFIZTGJF-GHMZBOCLSA-N 310.354 -0.447 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@H]2CN(C)CCN2C)n1 1321032068 DLOONZARBGHHIJ-LBPRGKRZSA-N 320.397 -0.420 50 20 DBGD CN(C)N(C(=O)CN1CCSC1=O)[C@H]1CCS(=O)(=O)C1 1321497814 ODECPSXZFUZCNF-VIFPVBQESA-N 321.424 -0.353 50 20 DBGD CN(C)N(C(=O)c1cnn2ccncc12)[C@@H]1CCS(=O)(=O)C1 1323395099 KLKXVJJODYDWCC-SNVBAGLBSA-N 323.378 -0.165 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 1332158619 UBUISTJPQOXUNJ-MWLCHTKSSA-N 306.322 -0.099 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)NC1CC1 1339816859 CXEHVEWEXOULKP-UHFFFAOYSA-N 301.306 -0.697 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)c1nnnn1C 1343079620 ITXPEZJMEFUYCS-ZCFIWIBFSA-N 308.277 -0.551 50 20 DBGD COCC[C@H]1CNCCN1CC(=O)NNC(=O)C(C)(C)C 1579011691 CDBUQPRGIPDJFA-NSHDSACASA-N 300.403 -0.510 50 20 DBGD COc1ccccc1[C@H](N)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1579301459 MEOZLNMQNNZTBM-CABZTGNLSA-N 306.322 -0.879 50 20 DBGD CC(C)(CC=NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)O 1590654776 UPIHUOMPFDFIFR-QMMMGPOBSA-N 305.356 -0.041 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)C[C@H]1C(=O)O 1591111880 WYNDQPGXUXZLLG-GUBZILKMSA-N 301.343 -0.912 50 20 DBGD O=C(NCC1CCN(c2ccncc2)CC1)NNC(=O)C(=O)O 1601486631 XCPYTZDOCKHMPQ-UHFFFAOYSA-N 321.337 -0.287 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1603198546 MRVYFPKERYADHJ-UHFFFAOYSA-N 316.368 -0.106 50 20 DBGD CC(C)C(=O)NNC(=O)CN1C[C@H]2COCC[C@@]2(C(=O)O)C1 1603706397 RHBQBEIIPDSHTD-IINYFYTJSA-N 313.354 -0.787 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)N1CCc2ccccc21 1604178699 MLJQSWBQIHPKAM-VIFPVBQESA-N 306.322 -0.147 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 60749037 NUOKWXMSDZWZQO-LBPRGKRZSA-N 319.317 -0.404 50 20 DBGD O=C(Cn1nnc2ccccc2c1=O)NNc1ncc(F)cn1 122690008 IXXSFBRPFMEQDY-UHFFFAOYSA-N 315.268 -0.136 50 20 DBGD O=C(CCNC(=O)c1cccs1)NNC(=O)Cc1cc[nH]n1 186082148 OWFDFKHSRYXAMT-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD CCN1CCN(CC(=O)NNc2ccc(C#N)cc2)C(=O)C1=O 269590154 PRBLNDAPDGSCFJ-UHFFFAOYSA-N 315.333 -0.308 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Cl)ccn1 273355892 BWIXECDNXSXSLT-LURJTMIESA-N 320.758 -0.566 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CC2)o1 294123238 KOJZMDNEIBHFJS-UHFFFAOYSA-N 301.324 -0.251 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CSCc1ccccn1 298983465 JWAUAYUIZGYVPI-UHFFFAOYSA-N 310.379 -0.013 50 20 DBGD COC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1F 490596161 IOQLWSGOZANJGH-UHFFFAOYSA-N 319.314 -0.119 50 20 DBGD NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584940126 PHYGNZFCVOTBPV-SNVBAGLBSA-N 322.145 -0.377 50 20 DBGD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584944506 BDJROUWAKUYEHQ-NWDGAFQWSA-N 318.182 -0.114 50 20 DBGD CC(C)[C@@H](CNCc1ccc(B(O)O)cc1)N1CCOCC1 585015093 OHDUSPXCQYHJHO-MRXNPFEDSA-N 306.215 -0.187 50 20 DBGD COCc1nc2n(n1)C[C@H](NCc1ccc(B(O)O)cc1)CC2 585029183 WQQGZKNBFKUPRM-CYBMUJFWSA-N 316.170 -0.791 50 20 DBGD CN(C)[C@H](CNCc1ccc(B(O)O)cc1)c1cnn(C)c1 585030398 ZXXCQCOYEBZXAW-OAHLLOKOSA-N 302.187 -0.508 50 20 DBGD O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCB(O)O 585063006 QLTPRKXYMLVYML-UHFFFAOYSA-N 304.033 -0.142 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 728804625 RATQGNWSZGMFDL-JTQLQIEISA-N 307.331 -0.741 50 20 DBGD O=C(CC1CCCC1)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730589722 PGALTKLHEIQXMQ-UHFFFAOYSA-N 318.337 -0.201 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)N1CCOCC1 745985998 HTGRPWLUNKWAMQ-NSHDSACASA-N 312.370 -0.150 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](CO)C2)c1 746463992 ZRHHBHHJOOZGEL-LBPRGKRZSA-N 302.334 -0.367 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)NNc1cccnn1 753090334 BVORZPMIVOVCND-UHFFFAOYSA-N 313.364 -0.040 50 20 DBGD CN(NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(N)=O 770436293 AWTWYRMLNBACAB-UHFFFAOYSA-N 312.351 -0.118 50 20 DBGD COC(=O)CNC(=O)NN=C1CCCC[C@@H]1S(C)(=O)=O 779818335 YXXYCRBLIRZGFD-VIFPVBQESA-N 305.356 -0.198 50 20 DBGD CCOC1(C(=O)NNC(=O)N2CCOCC2)CCOCC1 796657129 XEBDHTXZVICBRU-UHFFFAOYSA-N 301.343 -0.355 50 20 DBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccncc1 798316420 YQCPVMPSZKULSF-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD CN(C)CC(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1 807968656 AYMJYYOEKRGRDJ-UHFFFAOYSA-N 318.786 -0.001 50 20 DBGD CCN1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CC1=O 827273550 HYSPAFPFSGCQBQ-GHMZBOCLSA-N 312.370 -0.294 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(=O)NC(=O)N1 830331739 HSQKYDKPKWUQLB-JTQLQIEISA-N 304.306 -0.717 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC([C@H](O)C(=O)O)CC1 833422015 QVXAHZCGNNNEKR-NSHDSACASA-N 315.370 -0.663 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1cccc(C)n1 844661112 DEIBDCRUKCRYNA-UHFFFAOYSA-N 302.356 -0.553 50 20 DBGD N#CSCCCNC(=O)CCn1cc(S(N)(=O)=O)cn1 854362664 WMSBOALGKGIBTE-UHFFFAOYSA-N 317.396 -0.359 50 20 DBGD O=C(NNC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1cn[nH]c1 858705199 XPYIWJQTFPZPPO-NSHDSACASA-N 320.353 -0.149 50 20 DBGD OB(O)c1ccccc1CNC[C@H](n1cncn1)C(F)(F)F 877675871 VBLTWZJSTYIWIX-NSHDSACASA-N 314.076 -0.149 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)CS(C)(=O)=O)c1 919684145 YQLWYVMUJLCKGS-UHFFFAOYSA-N 300.336 -0.434 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 919961291 ZKXWMJJRMHGMQX-UHFFFAOYSA-N 304.284 -0.274 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(F)c1F 1116712345 ZHKXFVUTVNUHMT-UHFFFAOYSA-N 301.205 -0.776 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H]1CCCS1(=O)=O 1118185401 BMHSKGCSJQQMJP-GUBZILKMSA-N 319.383 -0.681 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1n[nH]cc1Br 1123612429 FIYUKJZVIYXTQZ-UHFFFAOYSA-N 313.115 -0.101 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc2cccnc12 1255507969 NWQZEOIWUZMIJU-UHFFFAOYSA-N 316.273 -0.506 50 20 DBGD COc1ccncc1CNC(=O)NNC(=O)c1cnn(C)c1 1261233381 PRKSKKDEBHSIDJ-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC)c(C)c1 1321186553 VAONEMZOBYUZCL-UHFFFAOYSA-N 308.294 -0.320 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(O)n1 1329547772 NDYQPMTUVYRENU-WPRPVWTQSA-N 308.338 -0.086 50 20 DBGD O=C1C[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CCN1 1344050472 WRDKRLFRJHGYNU-SECBINFHSA-N 301.310 -0.368 50 20 DBGD Cc1noc([C@@H](C)N(C)C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1348123605 YZXWOXGSGLXLLV-HTRCEHHLSA-N 310.314 -0.610 50 20 DBGD NCC(=O)NNC(=O)CN1CC[C@H](c2ccccc2)NC1=O 1580210490 IHNQVGSMPZOENY-LLVKDONJSA-N 305.338 -0.751 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2NCCOc3ccccc32)N1 1580843687 MPJHQFDMHGOVMO-GXFFZTMASA-N 318.333 -0.864 50 20 DBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1589763026 KVZIOJZYTPCCLE-SNVBAGLBSA-N 304.310 -0.355 50 20 DBGD CN(C)CCN(CC(=O)O)C(=O)/C(C#N)=C\c1cnn(C)c1 1593697744 YWDXJGPUQVEZTJ-SDQBBNPISA-N 305.338 -0.198 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1=O 1595156848 RGIXYTNXJIQGDD-SNVBAGLBSA-N 323.305 -0.737 50 20 DBGD C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362679 HOFFQSZVOLQHSO-NZFPMDFQSA-N 321.780 -0.295 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ncccn2)C1 1842480343 RVQHULYDWGPYDF-SNVBAGLBSA-N 324.768 -0.107 50 20 DBGD CCC(=O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1845971065 SVYHWZJYFQKPFU-SNVBAGLBSA-N 302.758 -0.231 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(CCO)C(C)C)n1 177035824 IUXCPRRWRUHVJO-UHFFFAOYSA-N 314.411 -0.156 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNC(=O)NC1CCCCC1 269522598 QMSYYSYCVSKRGV-UHFFFAOYSA-N 309.326 -0.388 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@H](C)NS(C)(=O)=O)c1 272844120 RCEGOMAGPQKRAT-QMMMGPOBSA-N 315.351 -0.146 50 20 DBGD O=C1O[C@H](C(=O)NNC(=O)N2CCOCC2)Cc2ccccc21 299349498 GOLYPIDRWVBEPH-LBPRGKRZSA-N 319.317 -0.159 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)OC(C)(C)C 490633366 APBGBSCAEOKTNG-UHFFFAOYSA-N 318.355 -0.158 50 20 DBGD COC(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 490635258 BNRZHPYSYJAJSP-UHFFFAOYSA-N 312.307 -0.888 50 20 DBGD O=C(NCCC(=O)N1CCCC1)c1ccc(B(O)O)c(F)c1 584925998 WMJRNNKTBIKXPF-UHFFFAOYSA-N 308.118 -0.752 50 20 DBGD O=C(NC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1)C1CCC1 584978170 UWTTURTUZFJQLN-UHFFFAOYSA-N 320.129 -0.754 50 20 DBGD O=C(N[C@@H](C1CC1)[C@H](CO)C1CC1)c1cccc(B(O)O)c1 584997863 MIDIGNOIPFJQBZ-CABCVRRESA-N 303.167 -0.107 50 20 DBGD CN1CCN(CCCCNCc2cccc(B(O)O)c2)CC1 585017669 HLHJZWJNDYYHFP-UHFFFAOYSA-N 305.231 -0.516 50 20 DBGD OB(O)c1ccc(CNC[C@H](O)COc2cccc(F)c2)o1 585019040 ZTTXLOITSUMREM-NSHDSACASA-N 309.102 -0.372 50 20 DBGD O=C(Cn1cc(NCc2ccccc2B(O)O)cn1)NC1CC1 585034669 SKMUVBIMLSJNJL-UHFFFAOYSA-N 314.154 -0.546 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)O 738138389 VRBOMTBDXCLBHB-BDAKNGLRSA-N 307.306 -0.025 50 20 DBGD O=C(O)CCS(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 739741833 HGIPCQUCPHZOLB-UHFFFAOYSA-N 317.279 -0.366 50 20 DBGD C[C@]1(O)CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1 748832494 LTTXRQRPODINKE-HNNXBMFYSA-N 302.334 -0.224 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCNC(=O)C1 754453326 XVRRZPDDFVOXTO-JTQLQIEISA-N 320.349 -0.219 50 20 DBGD CCC(=O)NNC(=O)Nc1ccn(CCN2CCOCC2)n1 756645205 FGIYRQLCLBVDMZ-UHFFFAOYSA-N 310.358 -0.222 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)c1ccsc1 758038439 FJOCSQRAZLAEOP-YUMQZZPRSA-N 319.408 -0.063 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCNC1=O 759435776 JLDDGFDNCCXLCL-NSHDSACASA-N 324.768 -0.079 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN[C@@H](CO)C2CC2)c1 771809132 QXWRWKVNHDTDOL-ZDUSSCGKSA-N 302.334 -0.320 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1ccc(F)cn1 780051377 RTXLATBRUQOWAU-UHFFFAOYSA-N 307.289 0.000 50 20 DBGD O=C(Cn1cnnn1)NNC(=O)Nc1ccc2c(c1)OCO2 802093928 YVAOIXCFQUFGRD-UHFFFAOYSA-N 305.254 -0.745 50 20 DBGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)CO)c(C)c1C 806979908 GDQHJDUDMIFSTO-UHFFFAOYSA-N 309.322 -0.301 50 20 DBGD CN(NC(=O)c1c(I)cnn1C)C(N)=O 815900451 CTIUJXFQQQFCKI-UHFFFAOYSA-N 323.094 -0.320 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)N(C)C 821994718 GKCCHIPYRNAQSS-QMMMGPOBSA-N 303.326 -0.422 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1 831920277 DDEASWIMMIUZLA-UHFFFAOYSA-N 316.291 -0.198 50 20 DBGD C[C@@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 839533679 XJUCDUOQOFDPCV-SKDRFNHKSA-N 322.321 -0.189 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)C1CC1 843778986 NUKYFNYGZATHCD-NSHDSACASA-N 310.354 -0.540 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2Cc3ccccc3O2)N1 858134237 MPBOGKCOEVMHSX-WDEREUQCSA-N 318.333 -0.401 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)CC(C)C 858545044 HRBAXNNJPLECTG-VHSXEESVSA-N 300.359 -0.344 50 20 DBGD Cc1cc(C)n(CCCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 858693503 PUGPUUOGLBARLI-NSHDSACASA-N 322.369 -0.501 50 20 DBGD COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 862449224 CUUKKEYYWDLXTC-MRVPVSSYSA-N 322.321 -0.542 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2cn[nH]c2)[C@H]2CCCC[C@@H]2N1 862466016 BGTYSNSHXKCECM-VWYCJHECSA-N 305.338 -0.134 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@@H]1CCCO1 883614970 WAKSNUCHGIAGTJ-NEPJUHHUSA-N 315.370 -0.063 50 20 DBGD O=C(NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)N1CCOCC1 906446962 FHJKVMBOSCJPSX-LNLATYFQSA-N 303.746 -0.012 50 20 DBGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(C)=O)c1 1320232607 NFGYJHMADKJTGE-UHFFFAOYSA-N 306.322 -0.068 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 1320349195 VZRWMOJDZDIEQI-UHFFFAOYSA-N 320.305 -0.255 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(Cl)n1 1320520855 HBVGPSQNWKEGFS-UHFFFAOYSA-N 316.701 -0.788 50 20 DBGD Cc1nc(SCCC(=O)NNC(=O)c2cnn(C)c2)n[nH]1 1322234254 VHLOTSMJMXEWQU-UHFFFAOYSA-N 309.355 -0.210 50 20 DBGD CCn1nccc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1328748691 XAQNCLIBGSNRLX-GFCCVEGCSA-N 315.399 -0.216 50 20 DBGD N#Cc1cccc(NNC(=O)Cn2ncn3nccc3c2=O)c1 1329572222 AEYYHOCDWKSLPT-UHFFFAOYSA-N 309.289 -0.094 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)N1 1330108058 MMBIQYCGTPVKCK-GHMZBOCLSA-N 322.365 -0.939 50 20 DBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)C1CC1 1337961433 RWRNGZKGOTVMNE-UHFFFAOYSA-N 322.325 -0.953 50 20 DBGD CCCc1noc(CCCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1351715543 HDKNKRKMVIRCAO-VIFPVBQESA-N 323.353 -0.229 50 20 DBGD Cc1ccccc1C1=NO[C@H](C(=O)NNC(=O)[C@H]2CCN2)C1 1579795187 LUYSFRNLCOICAB-YPMHNXCESA-N 302.334 -0.003 50 20 DBGD Cn1cc(C(=O)NNC(=O)C#CC2CCNCC2)ccc1=O 1579953263 QCRPGXWZFWTMHC-UHFFFAOYSA-N 302.334 -0.851 50 20 DBGD COCCCNC(=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1591415545 VHZGQXXNIYVURE-UHFFFAOYSA-N 310.343 -0.007 50 20 DBGD C[C@H]1CN(C(=O)C(=O)NNC(=O)C(=O)O)c2ccccc2O1 1594458596 PCMCCQDJLLHQDQ-ZETCQYMHSA-N 307.262 -0.968 50 20 DBGD C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)C(=O)O 1594542449 NSEUAZJDBRSJEL-JQWIXIFHSA-N 320.349 -0.078 50 20 DBGD O=C(O)Cn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1 1595143428 DRBBNVSREKQAAU-UHFFFAOYSA-N 321.268 -0.495 50 20 DBGD O=C(O)CCCC(=O)NNC(=O)CNC(=O)c1cccs1 1606136833 JBFGSBRBZVLKRP-UHFFFAOYSA-N 313.335 -0.120 50 20 DBGD N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795077304 BDXYQKROXFBCCH-DTHBNOIPSA-N 315.757 -0.911 50 20 DBGD O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)NC1CC1 64428185 ONBLSNSSAOEDBY-UHFFFAOYSA-N 323.353 -0.266 50 20 DBGD O=C(CN1CCC[C@@H](N2CCCC2=O)C1)NNC(=O)C1CC1 112981945 DDQLJCVLDPWOTF-GFCCVEGCSA-N 308.382 -0.369 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)N(CCOC)[C@H](C)C1 129150450 WEVVAFSQEJCSRA-XQQFMLRXSA-N 314.430 -0.027 50 20 DBGD CC(C)CC(=O)NNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 265413073 UBLYXOSKJMLUCO-LLVKDONJSA-N 322.369 -0.098 50 20 DBGD N#CCC(=O)N1CCN(S(=O)(=O)CBr)CC1 274823599 QMGSOJMYDOEWCP-UHFFFAOYSA-N 310.173 -0.274 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 283037344 ZEAQAJWVEUZRMF-ZDUSSCGKSA-N 304.350 -0.022 50 20 DBGD CCCC(=O)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584933079 DLCOVAMICGQODW-UHFFFAOYSA-N 318.182 -0.159 50 20 DBGD O=C1CC[C@@](C(=O)N2CC[C@@H](B(O)O)C2)(c2ccccc2)CN1 585063797 HHFSCHQFWFJBRI-CJNGLKHVSA-N 316.166 -0.090 50 20 DBGD O=C(Cn1cc(Br)cn1)N1CC[C@H](B(O)O)C1 585075696 IJGYFTFSJXLSPS-ZETCQYMHSA-N 301.937 -0.279 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1OC(=O)c2ccccc21 726613774 KABGXTRTQOVWRX-LLVKDONJSA-N 319.317 -0.040 50 20 DBGD CC(C)NC(=O)NNC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 745136250 SDPNQOJBZHXBAA-SNVBAGLBSA-N 310.358 -0.359 50 20 DBGD Cn1cc(C=NNC(=O)c2ccc(C#N)cc2)c(=O)n(C)c1=O 747053337 SBBWTTKMGNVGQF-UHFFFAOYSA-N 311.301 -0.280 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CC1(O)CCCC1 749261358 FYIDGNHEJZAAAX-UHFFFAOYSA-N 320.349 -0.346 50 20 DBGD C[C@@H]1CCC[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 758056960 UREHRHUKTGZJQP-OPRDCNLKSA-N 305.400 -0.102 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H](C)NS(C)(=O)=O)nc1 759729047 AZAOJGGTOPUONH-SSDOTTSWSA-N 316.339 -0.751 50 20 DBGD C#CCOc1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 764294844 FMPDLVMVBDVSDE-UHFFFAOYSA-N 305.290 -0.569 50 20 DBGD CCCN(C)CC(=O)NNC(=O)CNC(=O)c1cccnc1 764345794 WBERHAVDQYXBGV-UHFFFAOYSA-N 307.354 -0.699 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@H]2C(=O)NCC[C@H]2C)c1 799345958 CGSNTVVYGJULCC-BXUZGUMPSA-N 318.377 -0.130 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)Nc2ccccc2)c1=O 816595640 VGYHBUYQHOKVHU-UHFFFAOYSA-N 304.310 -0.175 50 20 DBGD CC(C)(C)C(=O)NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 822243423 BLRSAIXAKJZACO-QMMMGPOBSA-N 306.388 -0.905 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CCn1cnc2c(N)ncnc21 822252301 KOVBGZGYDFIVTQ-UHFFFAOYSA-N 305.342 -0.008 50 20 DBGD O=C(O)NCCCC(=O)NNc1nccc(N2CCOCC2)n1 832607808 AULSSGRTGUQXQZ-UHFFFAOYSA-N 324.341 -0.196 50 20 DBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)O)cc1F 832725777 VQQASXVHHRFYBM-UHFFFAOYSA-N 312.300 -0.310 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 852394727 WKOXECOGLFZUJO-RKDXNWHRSA-N 302.331 -0.560 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] 862448502 FEAPQSOMHQFZKP-MRVPVSSYSA-N 322.277 -0.357 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1[N+](=O)[O-] 862452248 DFZRMRNQRUSCAB-QMMMGPOBSA-N 322.277 -0.357 50 20 DBGD Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O)cc1 863457057 CYBNYJDDDXRAGW-JTQLQIEISA-N 314.363 -0.046 50 20 DBGD CCOC(=O)CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1 863871387 LNHNNNNGBWNQDR-UHFFFAOYSA-N 309.102 -0.327 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 863873444 CTEHWSJDQLHGDH-CABCVRRESA-N 318.182 -0.962 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 863999188 BIRMBCPNTMIAPS-NSHDSACASA-N 307.306 -0.500 50 20 DBGD C[C@@]1(CNC(=O)CN2CCNC(=O)C2)C[C@H]1Br 864072882 NJJZJMHWCOKGSD-KCJUWKMLSA-N 304.188 -0.292 50 20 DBGD CCCN1CCC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 906470540 LPNVGHGLXXQXDZ-LBPRGKRZSA-N 310.398 -0.122 50 20 DBGD CN1CCO[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C1=O 913163526 QADYMXRZMVWIGT-YFKPBYRVSA-N 305.203 -0.338 50 20 DBGD COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(B(O)O)cc1 916598283 XPHYOURWLTVHLI-JTQLQIEISA-N 313.065 -0.611 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C 1116187238 LJKCXKODVBAMCY-VHSXEESVSA-N 300.359 -0.247 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCn2cncc2C1 1116354701 AIJGJHQPSPNMEQ-SNVBAGLBSA-N 321.381 -0.102 50 20 DBGD COC(=O)COCC(=O)NNc1ccccc1S(C)(=O)=O 1118560545 NDQFGUIYHYYFRE-UHFFFAOYSA-N 316.335 -0.277 50 20 DBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1cccn1 1261436050 NWRRTAVTSJVWJJ-ZJUUUORDSA-N 314.367 -0.584 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)nnn2C 1318342369 OIPUVDMZCSHWFT-UHFFFAOYSA-N 304.310 -0.746 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(-n2cncn2)c1 1318378579 UGSPLKGMKUSSAQ-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD Cc1nn(C)cc1CCC(=O)NNC(=O)C(=O)N1CCCC1 1318576930 NBWBIWDIQANFPG-UHFFFAOYSA-N 307.354 -0.569 50 20 DBGD Cc1c(CCC(=O)NNc2ccc(C(N)=O)nn2)cnn1C 1319539528 LAXNSSDVEBFTEP-UHFFFAOYSA-N 303.326 -0.307 50 20 DBGD CCn1ccnc1C=NNC(=O)CSc1nnc(O)nc1O 1319588106 MCDUVPHCXNUYMQ-UHFFFAOYSA-N 323.338 -0.258 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cn1 1320233214 QTKMBABXVPBLMD-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccn(CCC#N)n1 1321140749 PNUFSMSBJRJUTF-UHFFFAOYSA-N 306.326 -0.071 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2ccnn2CC(F)F)nn1 1324919264 HOVDYBNAVNEWBK-UHFFFAOYSA-N 311.252 -0.206 50 20 DBGD Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1334931258 QGVKSUNIWXQVSA-ZJUUUORDSA-N 320.353 -0.771 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cnn(CC(F)F)c1 1342586134 FKXMKSVICGQNAU-UHFFFAOYSA-N 303.269 -0.110 50 20 DBGD CCn1c(NNC(=O)[C@H](OC)C(=O)O)nc2ccccc2c1=O 1573970079 GYKMVBWOXOHGKQ-JTQLQIEISA-N 320.305 -0.041 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](C[C@@H]1CCCO1)C(=O)O 1594712533 QMTBZPUGMPMGHC-LPEHRKFASA-N 301.343 -0.456 50 20 DBGD CN1CCO[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1 81402450 CPAUWCZLNXIXND-LBPRGKRZSA-N 317.349 -0.293 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 142485223 COUGQYAUERHIPZ-UHFFFAOYSA-N 315.289 -0.787 50 20 DBGD O=C(Cc1c[nH]c2ncccc12)NNC(=O)C(=O)N1CCCC1 158111320 PGPRCCKSHJSQDC-UHFFFAOYSA-N 315.333 -0.125 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)C(=O)N1CCCC1 299567752 OUFDBSBUMYWXOD-UHFFFAOYSA-N 309.297 -0.026 50 20 DBGD CN1C[C@H]2CC[C@H](CC1=O)N2C(=O)c1cc(B(O)O)ccc1F 584996525 JTOKDYFSQNHOSO-GHMZBOCLSA-N 320.129 -0.659 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)CC1 585001279 VMYUPGUYHKHTAO-XYPYZODXSA-N 304.155 -0.612 50 20 DBGD O=C(CCNCc1ccc(B(O)O)cc1)NCc1ccncc1 585020616 DFDJMCKVVNWEMT-UHFFFAOYSA-N 313.166 -0.443 50 20 DBGD OCCN1CCCC[C@H]1CNCc1ccc(B(O)O)cc1F 585043566 OAWMNIBSNSQSNL-AWEZNQCLSA-N 310.178 -0.558 50 20 DBGD NC(=O)c1cccc(OCCC(=O)N2CC[C@H](B(O)O)C2)c1 585075852 JVTKGSBCHMQUAF-NSHDSACASA-N 306.127 -0.370 50 20 DBGD O=C(/C=C/c1ccco1)NCCC(=O)N1CC[C@@H](B(O)O)C1 585078359 XZPNQNAWPUAKRT-PGLGOXFNSA-N 306.127 -0.126 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2nccnc2N)C[C@@H](C)O1 732261438 CSTWZPXDMQEYEY-AOOOYVTPSA-N 322.369 -0.681 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)NC1CCCC1 742057099 OPOXHKNEXMOZPP-UHFFFAOYSA-N 306.388 -0.413 50 20 DBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C1CC1 742471564 DWHKMURNBMUTPJ-IQIPOGNMSA-N 321.333 -0.904 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)NC1CCCC1 746173717 IUDWQIVUBVEWHL-UHFFFAOYSA-N 320.415 -0.069 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H](C)CN1CCOCC1 752732821 DTJNXYFELKJADN-SNVBAGLBSA-N 320.484 -0.187 50 20 DBGD NC(=O)CCSc1ccccc1NC(=O)NNC(=O)CO 756363252 PVUHTARXKWQFLZ-UHFFFAOYSA-N 312.351 -0.201 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc3nnc(O)n3c2)n[nH]1 763141557 ZSKIGVQACZBTMN-UHFFFAOYSA-N 301.266 -0.459 50 20 DBGD COCCCNC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 767721888 HDBDIQPMJVPJCA-JTQLQIEISA-N 300.359 -0.388 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Cc1n[nH]c2c1CCCC2 777246640 KSQGCHKVNHBWNH-UHFFFAOYSA-N 302.338 -0.056 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C[C@@H](C)O)[C@@H](C)CO)cc1 785537494 PXWLGITYLAOYNL-QWHCGFSZSA-N 323.393 -0.180 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1NC(=O)O[C@H]1C 786075245 VELGKZRJLCUXOI-OYNCUSHFSA-N 315.326 -0.392 50 20 DBGD O=C1CC(C(=O)NNC(=S)NCCc2cccs2)=NN1 820168950 LEBFIAUKVZXOKM-UHFFFAOYSA-N 311.392 -0.338 50 20 DBGD CCN(CCO)NC(=O)Cn1cc(Br)ccc1=O 823847212 RRCJALHLHOFYIL-UHFFFAOYSA-N 318.171 -0.044 50 20 DBGD C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NN(C)C(N)=O 824738518 PSHXPDYZEPCZFQ-SSDOTTSWSA-N 305.298 -0.324 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C1(c2cccnc2)CC1 827832018 XQSINFSRTYHVDU-UHFFFAOYSA-N 302.334 -0.117 50 20 DBGD COc1cc(C)nc(NNC(=O)CCNC(=O)[C@H]2CCCN2)n1 830981168 PNUULYUSQKYDQC-SNVBAGLBSA-N 322.369 -0.505 50 20 DBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)[C@H]1CCCCO1 836221038 HGMYKYLTANRMLI-NWDGAFQWSA-N 314.386 -0.393 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](C(=O)N(C)C)C1 839637088 VOWUZVKSORWWKB-VXGBXAGGSA-N 312.414 -0.022 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840673645 WXBUIMQVEREAJE-DJLDLDEBSA-N 301.299 -0.223 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N(C)C[C@@H]1COCCO1 852394279 OTJLTTFKJMHDKU-HBNTYKKESA-N 301.343 -0.501 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C1(O)CCOCC1 854283593 BPRVSFBOVWJMJY-UHFFFAOYSA-N 305.400 -0.598 50 20 DBGD Cc1cc(C(=O)NNC(=O)N2CCN(C)CC2)ncc1C(N)=O 854381818 RKJPEMYEOKFQGE-UHFFFAOYSA-N 320.353 -0.909 50 20 DBGD C[C@H](NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(F)(F)F 862320001 CWSFXEYSMLTEBJ-NKWVEPMBSA-N 318.321 -0.527 50 20 DBGD CCOC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863871087 ZOXODTPECGYBOZ-UHFFFAOYSA-N 306.127 -0.719 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C2CCOCC2)n1C 883071168 QHMJUVLSHBQTOR-UHFFFAOYSA-N 309.322 -0.001 50 20 DBGD O=C(NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccc[nH]1 1117377540 CQEYCLLSTRSJBU-VIFPVBQESA-N 311.363 -0.009 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc2n(n1)CCO2 1261218517 WVVOXUABPCEQCI-UHFFFAOYSA-N 309.326 -0.659 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1317984500 VLWRWEFSTHJZSM-MRVPVSSYSA-N 307.354 -0.036 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCc1ccnn1C 1321135933 LUUUJFYHCVWLOD-SNVBAGLBSA-N 313.358 -0.656 50 20 DBGD CN(C)c1cccc(CNC(=O)NNC(=O)C(=O)NC2CC2)n1 1324433797 RUUZGIJKWVBDSS-UHFFFAOYSA-N 320.353 -0.743 50 20 DBGD C[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)N1C(=O)CCC1=O 1328758125 YSIHJPQADXETDZ-SFYZADRCSA-N 312.395 -0.182 50 20 DBGD C[C@@H](NNC(=O)c1cn(CC(=O)N(C)C)nn1)C(F)(F)F 1329065244 ZNYCUNKFWBDMQS-ZCFIWIBFSA-N 308.264 -0.449 50 20 DBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2ncn(C)n2)cc1 1330069704 LXSIYKHLZXGQEV-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD O=C(CSc1n[nH]c(O)n1)NNC(=O)NCC(F)(F)F 1339804406 UKMZFCYRCREICX-UHFFFAOYSA-N 314.249 -0.505 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(O)cc2)n(C)n1 1343252477 VVIHVGXGTXJNLJ-UHFFFAOYSA-N 317.305 -0.166 50 20 DBGD CNC(=O)COc1cccc(CC(=O)N2CC[C@H](B(O)O)C2)c1 1348490571 SRDLHGITNFPGAO-LBPRGKRZSA-N 320.154 -0.571 50 20 DBGD CN(C)C(=O)/C=C/C(=O)NNc1cccc(-c2nn[nH]n2)c1 1591000259 QQVWQFFIKBQDRN-VOTSOKGWSA-N 301.310 -0.046 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1591784385 KSDFVVWOTVHYLZ-HTQZYQBOSA-N 319.325 -0.311 50 20 DBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)ccn1)c1ccnnc1 1593157214 AXYWDXXGINFRMT-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD O=C(Cc1ccccc1C(=O)O)NNC(=O)[C@@H]1COCCO1 1594709708 IISGXLLGUWMHMM-NSHDSACASA-N 308.290 -0.510 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 122602939 VDBPGUYVTGUBOL-JTQLQIEISA-N 315.333 -0.118 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)N1CCCC1 263826953 PZEAZFWESINNCI-UHFFFAOYSA-N 315.333 -0.353 50 20 DBGD O=C(CN1CC[C@H](O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 265246810 SHMBRDPOXXDBMP-NSHDSACASA-N 308.294 -0.578 50 20 DBGD Cc1cc2c(cc1NC(=O)C(=O)NNC(=O)CN(C)C)OCO2 274107135 YJVDWLAJGOEZTO-UHFFFAOYSA-N 322.321 -0.629 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cc(Cl)cn1 291895561 JNVIOMUNTZJAOG-UHFFFAOYSA-N 315.761 -0.011 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 292326134 JAXPTRNCVOYTLE-LBPRGKRZSA-N 310.306 -0.363 50 20 DBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CO)CC2)cc1 295266288 HWTWKWLCPLXBCD-UHFFFAOYSA-N 320.393 -0.748 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Cl)c[nH]1 299231738 SKSFXPODAONZFY-YFKPBYRVSA-N 308.747 -0.633 50 20 DBGD CC1(C)COCCN1CCNC(=O)c1ccc(B(O)O)cc1 584944224 QFJQRJXWNNSFIN-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CC(C)(CNC(=O)c1ccc(B(O)O)c(F)c1)S(C)(=O)=O 584961273 PENKVPZTSPGFPY-UHFFFAOYSA-N 317.147 -0.942 50 20 DBGD CNC(=O)C1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 584974723 JHCRDAIZZZKWSC-UHFFFAOYSA-N 304.155 -0.599 50 20 DBGD CCO[C@@H]1C[C@](O)(CNC(=O)c2ccc(B(O)O)cc2)C1(C)C 584980009 NJRSHHIFAAIIPV-CJNGLKHVSA-N 321.182 -0.338 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@]2(CCO[C@@H]2C)O1 584983203 NNDCUBYLZDISGB-HSMVNMDESA-N 319.166 -0.225 50 20 DBGD O=C1C[C@H](NCc2ccccc2B(O)O)CN1CC(F)(F)F 585025076 LFCOXDDULGJYKN-JTQLQIEISA-N 316.088 -0.381 50 20 DBGD CS(=O)(=O)CC1(CNCc2ccccc2B(O)O)CCC1 585046647 UXKIZOPFTSRUME-UHFFFAOYSA-N 311.212 -0.329 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 585070284 YMPMOJLXGTYBMA-JTQLQIEISA-N 312.156 -0.716 50 20 DBGD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NNC(=O)CO 755447515 PUPOVQVPJGVCEE-UHFFFAOYSA-N 321.381 -0.108 50 20 DBGD C#CCOCCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 756746912 YRMZLBZMEQFLIZ-STQMWFEESA-N 311.382 -0.327 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCN1 760240674 GNUOTMWSNWRAMI-JOYOIKCWSA-N 319.317 -0.500 50 20 DBGD CN(C)CC(=O)NNC(=O)N=c1cc[nH]cc1Br 775698460 YAWKIAXREMNZSJ-UHFFFAOYSA-N 316.159 -0.020 50 20 DBGD CCNC(=O)N(C)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 780705132 BCGRNFJLGJIDCB-UHFFFAOYSA-N 314.367 -0.431 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 787838926 UFUSSAQHEAGCRD-AEJSXWLSSA-N 313.354 -0.233 50 20 DBGD COc1nccnc1NNC(=O)[C@@H](c1cncn1C)N(C)C 798177494 IXERUEYBGSGIFC-SNVBAGLBSA-N 305.342 -0.035 50 20 DBGD C=CCNC(=S)NNC(=O)CN(C)c1ncnc2[nH]cnc12 798305295 MUCQWESWXXRERH-UHFFFAOYSA-N 320.382 -0.530 50 20 DBGD CC[S@](=O)CC(=O)OCC(=O)NNC(=O)c1ccccc1 803472418 BVECFBBXSYAZLS-NRFANRHFSA-N 312.347 -0.241 50 20 DBGD CC(C)(C(=O)NN=C1C(=O)NC(=O)NC1=O)c1ccccc1 814221359 AQRAOJYFOCMDRV-UHFFFAOYSA-N 302.290 -0.198 50 20 DBGD O=C1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CN1 826479846 JWBNRWXKQDCSPC-VIFPVBQESA-N 301.310 -0.164 50 20 DBGD CCCN(CC(=O)NNC(=O)C(C)C)[C@H]1CC(=O)N(C)C1=O 829510691 LTDHXZNXUKFLHS-JTQLQIEISA-N 312.370 -0.741 50 20 DBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)C(=O)NC1CC1 832845618 JROIQRZABUDCNL-UHFFFAOYSA-N 308.294 -0.631 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCNC(=O)c1ccco1 843648986 RTCONCSULDSION-ZJUUUORDSA-N 309.322 -0.028 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 847544264 WXZGFXKPRAUKFW-GHMZBOCLSA-N 315.333 -0.464 50 20 DBGD O=S(=O)(CCl)N1CCC(O)(CN2CCOCC2)CC1 849385494 ZEJOBWOKDHIAOF-UHFFFAOYSA-N 312.819 -0.328 50 20 DBGD COC(=O)CN(CC(=O)NNC(=O)C(C)C)C1CCOCC1 852414736 SVQBSHCEZSSJLT-UHFFFAOYSA-N 315.370 -0.556 50 20 DBGD CNC(=S)N(C)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 854925231 ASZMQYPYIHTXND-VIFPVBQESA-N 312.399 -0.630 50 20 DBGD CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858538662 OZMYUUPCHPMWHA-YACGNSKGSA-N 312.370 -0.201 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NC[C@H]1COCCN1 861682683 URHVCPBHOCWPSL-JTQLQIEISA-N 308.338 -0.372 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)OC1CCCC1 863877168 URLWMERJMJASME-JTQLQIEISA-N 305.139 -0.030 50 20 DBGD C[C@@H]1CCN(CCNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1 897428361 HBTYJLJUEYUYGN-YPMHNXCESA-N 318.443 -0.291 50 20 DBGD COC(=O)c1ccn(CC(=O)NNC(=S)NC(C)(C)C)n1 900001030 CMWQDUYLGXAPCC-UHFFFAOYSA-N 313.383 -0.037 50 20 DBGD C[C@@H](O)CN(C)NC(=O)COCCNC(=O)c1ccccc1 910152629 RBRWNLKCRHZWOU-GFCCVEGCSA-N 309.366 -0.223 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1 917111791 PAKFPTKJYXCBRM-UHFFFAOYSA-N 308.319 -0.112 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)c1ccc2nnnn2c1 1256496066 MKLZBTCEUQUPSJ-UHFFFAOYSA-N 303.204 -0.369 50 20 DBGD O=C(NNC(=O)[C@@H]1CCOC1)C1CCN(c2ncccn2)CC1 1318319357 TXUIXUQLXIZAFN-GFCCVEGCSA-N 319.365 -0.123 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCc3c[nH]nc3C2)nn1 1319142707 OCJKKGLURIWXJC-ZETCQYMHSA-N 301.310 -0.453 50 20 DBGD COC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 1320261655 QUKVJLDSDVTITA-UHFFFAOYSA-N 304.328 -0.724 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCCS1(=O)=O 1320709186 SIKCLHFCDAGANB-SECBINFHSA-N 300.340 -0.933 50 20 DBGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)[C@@H]1CCOC1 1321313081 USPUNPQIGAZJPT-NXEZZACHSA-N 324.337 -0.235 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H](O)c1cnn(C)c1 1326027281 PTJNYBDIOYMDAX-JMJZKYOTSA-N 311.342 -0.791 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H](C)N1C(=O)CCC1=O)C1CC1 1328758126 YSIHJPQADXETDZ-YUMQZZPRSA-N 312.395 -0.182 50 20 DBGD Cc1cccc(NNC(=O)c2cn(CC(=O)N(C)C)nn2)n1 1331804019 RKHKVMIMWCIIQV-UHFFFAOYSA-N 303.326 -0.173 50 20 DBGD COC1(c2nccn2C)CN(C(=O)c2cccc(B(O)O)c2)C1 1352627224 AXXXEDSMTQIDSQ-UHFFFAOYSA-N 315.138 -0.902 50 20 DBGD CN1C(=O)CCC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1354019737 QMOWXITXPBEUHO-GHMZBOCLSA-N 317.411 -0.510 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2[C@H]3CNC[C@H]32)c1 1579283012 UXLCHHOATMUNDH-IMRBUKKESA-N 304.350 -0.280 50 20 DBGD C[C@@H](C(=O)NNc1ncncc1F)n1cnc(-c2nn[nH]n2)n1 1589003165 QTCYTFFNFUFQJE-YFKPBYRVSA-N 319.264 -0.908 50 20 DBGD OB(O)c1ccccc1CNCc1nc(-c2nn[nH]n2)cs1 1593497571 BVERKHDXYIFMKK-UHFFFAOYSA-N 316.155 -0.707 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@](C)(OC)C(=O)O 1593994409 CZPMKCKCQJDKTE-LLVKDONJSA-N 307.372 -0.650 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)O)cc1C 1594712573 SBRCKNJQHJBGSG-UHFFFAOYSA-N 323.305 -0.046 50 20 DBGD O=C(O)Cn1cc(C(=O)NNC(=O)Cc2ccsc2)nn1 1595143423 DGXYQBBNTIUAPJ-UHFFFAOYSA-N 309.307 -0.572 50 20 DBGD CCn1c(NNC(=O)[C@@H](N)CC(=O)O)nc2ccccc2c1=O 1597859741 DKQMUIXJJXJAKN-VIFPVBQESA-N 319.321 -0.339 50 20 DBGD O=C(N[C@H](C[C@@H]1CCCO1)C(=O)O)c1cccc(B(O)O)c1 1601408153 BQTGXZAUDHLZDY-NWDGAFQWSA-N 307.111 -0.882 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cn[nH]c2)cc1-c1nn[nH]n1 1605821589 SLAOQZWNCTXVAW-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843365951 TUKNHLAMZPYHEV-SNVBAGLBSA-N 305.737 -0.010 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)NCCn1cncn1 265811716 PYMXCHAWCWWCGD-UHFFFAOYSA-N 318.337 -0.175 50 20 DBGD CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)C(=O)NC1CC1 266815665 QGUOZDNOFCGYPF-QMMMGPOBSA-N 314.342 -0.817 50 20 DBGD COc1cccc(OC)c1CC(=O)NNC(=O)C(=O)NC1CC1 268318377 JXLPTLVNLUZENW-UHFFFAOYSA-N 321.333 -0.328 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CN(C)CCO2)nc1C 272170527 JKVULYSLILXPPA-LLVKDONJSA-N 323.353 -0.265 50 20 DBGD CCc1ncsc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273478335 KUDVNDHHOVDRMQ-ZCFIWIBFSA-N 320.396 -0.596 50 20 DBGD C[C@H](CC(N)=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 282977984 NCZKXNUDDSZCBP-LDYMZIIASA-N 307.306 -0.515 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 495311092 BBNVMVFKOQYDPJ-QMMMGPOBSA-N 316.358 -0.427 50 20 DBGD O=C(NCCNC(=O)C1CCCCC1)c1cccc(B(O)O)c1 584931995 LYIDEPMPMQTJSA-UHFFFAOYSA-N 318.182 -0.207 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)cc1)[C@@H](C)N1CCOCC1 584942923 ZYUBKICXZDUUHH-VXGBXAGGSA-N 306.171 -0.795 50 20 DBGD CCN1CCN([C@@H](C)CNC(=O)c2ccc(B(O)O)cc2)CC1 584944990 DTDYUMOJWMEZER-ZDUSSCGKSA-N 319.214 -0.878 50 20 DBGD C[C@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)cc2)CCS1(=O)=O 584947876 DMQSZZBVTNIKBR-ZJUUUORDSA-N 311.168 -0.986 50 20 DBGD O=C(NC1(CO)CCSCC1)c1ccc(B(O)O)c(F)c1 584997949 LZVJRZNULUERJL-UHFFFAOYSA-N 313.159 -0.507 50 20 DBGD C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(B(O)O)cc2F)CC1=O 585024973 INYBRPMRRPOKSL-LQJRIPTKSA-N 306.146 -0.396 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1cccc2ncccc12 751580164 UKCQAXSPCIUGFF-UHFFFAOYSA-N 322.346 -0.455 50 20 DBGD Cn1nc(C(=O)NNC(=O)C(C)(C)O)c2ccccc2c1=O 756795422 AORRYPDGXJQDJN-UHFFFAOYSA-N 304.306 -0.535 50 20 DBGD O=C(NNC(=O)c1cncnc1)c1ccc(-n2cnnn2)cc1 760808854 MNJJDRMRFMPBBF-UHFFFAOYSA-N 310.277 -0.473 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1COCCO1 762847418 JRUXZPBAZJEPDH-JTQLQIEISA-N 309.326 -0.828 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cn1 768275912 DBTNKPUQMKUHTD-UHFFFAOYSA-N 302.294 -0.452 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cn1 775731111 COPNWSSXLPCOMH-ZETCQYMHSA-N 316.314 -0.192 50 20 DBGD CC(C)CN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1=O 778259255 BSEIMXQGKCYUNY-UHFFFAOYSA-N 312.414 -0.020 50 20 DBGD O=C(NCC[C@@H]1CCCCO1)NNC(=O)C(=O)N1CCCC1 780906278 CMBCCCKWSKWYFM-NSHDSACASA-N 312.370 -0.102 50 20 DBGD COC1CCC(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 781920968 QWTQWHFZOKAHSN-IDKOKCKLSA-N 321.399 -0.723 50 20 DBGD COC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C)O1 784368404 IQUKNFCACQSHJU-MNOVXSKESA-N 301.387 -0.084 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NN=c2cc[nH]cc2)nc1 792397470 KVSUKHYTRPPZOK-UHFFFAOYSA-N 322.350 -0.045 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN(C)C(=O)C1CC1 807368452 GVBQBDXQJXMSGD-UHFFFAOYSA-N 315.370 -0.209 50 20 DBGD Cn1nncc1NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 816769039 RKPATESBSWJNBT-UWVGGRQHSA-N 320.353 -0.177 50 20 DBGD CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 819827023 PFFKGEFVPATVLX-UHFFFAOYSA-N 304.266 -0.809 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1cccc(C#N)c1 821141508 QLJZXZBTCBMJDN-RYUDHWBXSA-N 324.362 -0.004 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1 826045136 QQBWVTVZKWVULS-LLVKDONJSA-N 303.326 -0.360 50 20 DBGD CCN1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 827273556 HYSPAFPFSGCQBQ-WDEREUQCSA-N 312.370 -0.294 50 20 DBGD COC(=O)c1cccc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 831895193 VZMVMSJUQVALBW-JHJVBQTASA-N 322.317 -0.671 50 20 DBGD CCOC[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 859772078 NLDVHIPAFWRPTK-LLVKDONJSA-N 301.387 -0.083 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)NC[C@H]1COCCN1 861681153 GEQMCJYGVRUDID-ZDUSSCGKSA-N 306.366 -0.062 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2COCCN2)c1 861682330 RCSLJYXCVCXJHM-LBPRGKRZSA-N 303.322 -0.509 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=S)NCC2CCC2)O1 862150361 OSDZFJHMXCSVGF-DTWKUNHWSA-N 300.384 -0.685 50 20 DBGD Cc1cc(=NNC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)cc[nH]1 862513733 LGGLKDMVYIRCDV-LBPRGKRZSA-N 321.381 -0.339 50 20 DBGD O=Cc1ccc(CC(=O)NNC(=O)CN2CCCC2=O)cc1 913730460 WCXAMCCNKOKONK-UHFFFAOYSA-N 303.318 -0.189 50 20 DBGD CCN(CCC(=O)NC)CC(=O)NNC(=O)c1ccccc1 933868496 XVMJYOHVXMFZAL-UHFFFAOYSA-N 306.366 -0.094 50 20 DBGD COC(=O)NCCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1116261856 LMMJTZQIDRUASG-UHFFFAOYSA-N 323.309 -0.696 50 20 DBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 1118123773 PEVJRPDIDMFPTO-DCAQKATOSA-N 312.370 -0.249 50 20 DBGD Cc1c(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)nnn1C 1318682219 QOFGCWZJNKLFKS-UHFFFAOYSA-N 303.326 -0.200 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCc2n[nH]cc2C1 1319793873 RHNPCGXDLHTTQQ-SNVBAGLBSA-N 320.353 -0.780 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C[C@H]2CCOC2)CC1 1319994919 JATNZNOCVXDKIY-QWHCGFSZSA-N 312.414 -0.414 50 20 DBGD CCc1cccc(C)c1NC(=O)C(=O)NNC(=O)C(=O)OC 1321667274 CBTCFVFNVFXKAT-UHFFFAOYSA-N 307.306 -0.184 50 20 DBGD CC(=NNC(=O)Cc1cc(O)nc(O)n1)C(C)(C)n1cncn1 1322445709 MHRFXEXUSLMWSX-UHFFFAOYSA-N 319.325 -0.051 50 20 DBGD CCOC(=O)c1ncc(C(=O)NNC(=O)CN(C)C)s1 1322931564 VHELJXNEUDITRG-UHFFFAOYSA-N 300.340 -0.358 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(Cl)nc2)N1 1330167913 HUUVHMMVFAMDKY-ZETCQYMHSA-N 318.742 -0.677 50 20 DBGD CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)c1cn[nH]c1 1331533706 NNKRSWCBWHCSKA-UHFFFAOYSA-N 321.341 -0.142 50 20 DBGD CC(C)(O)C(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21 1345139106 LZRJBLOFMMZSKM-UHFFFAOYSA-N 306.322 -0.186 50 20 DBGD CN1C(=O)COc2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc21 1351729122 MTIIXXIDIMHOTH-SNVBAGLBSA-N 304.111 -0.269 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1nnnn1C 1357697114 PDUGTNUJENLCEJ-QMMMGPOBSA-N 321.316 -0.017 50 20 DBGD O=C(NN=Cc1nc(CO)cs1)[C@H]1CN2CCC[C@H]2CO1 1550356430 VSLZDFWPEKKOKY-WDEREUQCSA-N 310.379 -0.051 50 20 DBGD C#CC[C@]1(C(=O)NNC(=S)NCCSC)CCCN1 1574525146 DHSLMSSYAIQHRT-GFCCVEGCSA-N 300.453 -0.010 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(CN)c2)ccc1=O 1579953039 FIDQYUDANYFVGO-UHFFFAOYSA-N 300.318 -0.081 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ncon1 1592500008 GUJDJTKSEKPSRQ-UHFFFAOYSA-N 304.226 -0.774 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC1 1593155688 XHAUCESWFJPNFH-UHFFFAOYSA-N 313.321 -0.061 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1csc(CO)n1 1593163367 RMZUXKHFTFGPFK-UHFFFAOYSA-N 318.322 -0.033 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)CC1 1598606391 CJYWSKZJXZCILP-MNOVXSKESA-N 312.370 -0.134 50 20 DBGD Cn1cc([C@@H](NC(=O)NNC(=O)C(=O)O)c2ccccc2)cn1 1600938047 AJRZWINFVYWKBN-NSHDSACASA-N 317.305 -0.076 50 20 DBGD N#Cc1cccc([C@H](NNC(=O)[C@@H]2CCC(=O)N2)C(=O)O)c1 1601118427 LBDCXGGUHKTRRH-JQWIXIFHSA-N 302.290 -0.417 50 20 DBGD N=C(N)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Cl 1796805981 ILJRPZQUDXWVLN-IBCQBUCCSA-N 319.768 -0.358 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cn(C)cn2)C[C@@H](C)O1 179073019 UGWCTMFEMMZSEN-GHMZBOCLSA-N 309.370 -0.320 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N1CC(=O)N(CC2CC2)C1 279012757 TVHWLOKKNADDLU-UHFFFAOYSA-N 317.349 -0.123 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)NCc2ccco2)O1 290560797 QTPUUYFERYDPBJ-VHSXEESVSA-N 311.294 -0.169 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1=O 298282180 JIAHSHZKQXICKF-LLVKDONJSA-N 316.317 -0.437 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 367724258 KOOGOGKNXXUMGA-QMMMGPOBSA-N 311.725 -0.167 50 20 DBGD CCOC(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 490710050 JNUJCEZOEHJEOI-UHFFFAOYSA-N 307.372 -0.031 50 20 DBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H]1CCN(C2CC2)C1 584945934 NMPWUEAWSBCKBJ-LBPRGKRZSA-N 306.146 -0.186 50 20 DBGD O=C1C[C@]2(CCCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)CN1 584954550 GANJUASHPLGWDB-OAHLLOKOSA-N 320.129 -0.752 50 20 DBGD CC(C)c1nnc(CNC(=O)c2ccc(B(O)O)c(F)c2)n1C 584971225 LWSOZLNPEYEROJ-UHFFFAOYSA-N 320.133 -0.313 50 20 DBGD CN1CCC[C@@]2(CCN(C(=O)c3ccc(B(O)O)cc3)C2)C1=O 584976190 HRXKXXVREOKTKS-INIZCTEOSA-N 316.166 -0.549 50 20 DBGD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(B(O)O)ccc1F 584980096 QDICVYBMSVRCOF-DVYJOKAKSA-N 320.129 -0.769 50 20 DBGD C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc(B(O)O)c1)CCO2 584985907 SDYNOCCKTSQYJD-XHDPSFHLSA-N 305.139 -0.614 50 20 DBGD CN(C(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCN2CCO[C@H]1C2 584995518 WHDMSFWCGGVNHP-KGLIPLIRSA-N 322.145 -0.949 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)o2)CCN1Cc1ccccc1 585020546 AOQGMVNMQGIIFO-CQSZACIVSA-N 314.150 -0.150 50 20 DBGD C[C@H](NCc1ccc(B(O)O)o1)c1ccc(OCC(N)=O)cc1 585026526 OGBOTFLYZHIARW-JTQLQIEISA-N 318.138 -0.326 50 20 DBGD COC[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 736967018 FEDBLYFRAOZJHA-QMMMGPOBSA-N 304.310 -0.090 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)COc1ccccc1OC 754974720 QNMUWJQBQHYAAU-CQSZACIVSA-N 312.322 -0.381 50 20 DBGD O=C(CCC(=O)NC1CCCC1)NNC(=O)Cc1cc[nH]n1 755276787 LPPCANYNOUJZAP-UHFFFAOYSA-N 307.354 -0.061 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sn1 756854936 BUFZDQQZBYKTNZ-ZCFIWIBFSA-N 321.384 -0.458 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CS(=O)(=O)CC(C)C 772022298 MQQCADSLFRMGGG-VIFPVBQESA-N 322.383 -0.454 50 20 DBGD CCNC(=O)NNC(=O)COCCNC(=O)c1ccccc1 784622600 CBTLFBBPJZRILG-UHFFFAOYSA-N 308.338 -0.217 50 20 DBGD C[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1nnnn1C1CC1 792475962 SHXWUEXZMAAJDK-QMMMGPOBSA-N 309.374 -0.148 50 20 DBGD NS(=O)(=O)c1ccccc1CNC(=O)NNc1ncccn1 807606114 XDMVZLFSFSSOFI-UHFFFAOYSA-N 322.350 -0.050 50 20 DBGD CN(NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 819645988 ICNZNMGBLPTJTK-GFCCVEGCSA-N 310.398 -0.708 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 826045956 FFRGCVUSDXTQSB-SDDRHHMPSA-N 314.386 -0.538 50 20 DBGD O=C(O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)CCl)CC2)C1 844688788 RQACIJCPHNOHEO-MRVPVSSYSA-N 324.786 -0.090 50 20 DBGD CCCCNC(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 845296780 OQIXVIQHRYTVQN-UHFFFAOYSA-N 310.358 -0.488 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1cccc(Cl)n1 849312416 CAUFLBGNLCZYQA-UHFFFAOYSA-N 322.774 -0.208 50 20 DBGD CN(CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCCC1 858198636 WKRDHMYAFSEFOA-LLVKDONJSA-N 311.386 -0.530 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NN=c3cc[nH]cc3)CC2=O)cn1 860675547 BYSDXEHEBOIFPL-SNVBAGLBSA-N 300.322 -0.267 50 20 DBGD COC(=O)N1CCC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 865113017 NEFWWJHWCJGOCO-SNVBAGLBSA-N 324.117 -0.534 50 20 DBGD CN1C(=O)[C@@H]2CN(C(=O)NNC(=O)c3ccccc3)C[C@@H]2C1=O 868004189 NEGPLKDSMQWPIZ-PHIMTYICSA-N 316.317 -0.412 50 20 DBGD COC(=O)[C@@]1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1C 869839670 VKTLGPBBVAKCDE-VFZGTOFNSA-N 323.129 -0.223 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1ccc2c(c1)OCO2 869908986 DQDHTDLYEGPTLH-UHFFFAOYSA-N 310.306 -0.232 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)N1 912977922 NRHJAIRYHMZGAL-BSFVXNEUSA-N 301.730 -0.659 50 20 DBGD NC(=O)Nc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1 920434116 PQPIYAMARIEVFG-UHFFFAOYSA-N 319.321 -0.439 50 20 DBGD COC(=O)[C@@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 925188671 MRLYRAQFFPVJNP-NSHDSACASA-N 309.152 -0.903 50 20 DBGD CCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)OC)cc1C 1255508437 ZJHMSIWLLZZQIW-UHFFFAOYSA-N 307.306 -0.184 50 20 DBGD O=C(CN1CCCNC1=O)NNC(=O)c1n[nH]c2c1CCCC2 1318662832 YGZBDXUIWUCGOA-UHFFFAOYSA-N 320.353 -0.535 50 20 DBGD O=C(NNC(=O)[C@H]1CCSC1)N[C@@H]1CCS(=O)(=O)C1 1319157412 ONZSNTIYRRFIKI-JGVFFNPUSA-N 307.397 -0.743 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCCO[C@H]2CCOC2)cn1 1319571534 BKKLCSZHSNOCPO-NSHDSACASA-N 311.342 -0.440 50 20 DBGD COC(=O)NCC(=O)NNc1ccccc1S(N)(=O)=O 1320982565 SKZSVFZYHTVJLR-UHFFFAOYSA-N 302.312 -0.867 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2c[nH]nc2C)n1 1322586932 BBFSWWTXHNCFNE-UHFFFAOYSA-N 302.294 -0.452 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2CCCc3c[nH]nc32)N1 1329753664 JEHBNACOVBEIPO-BDAKNGLRSA-N 306.326 -0.604 50 20 DBGD C[C@@H](CS(C)(=O)=O)N(C)C(=O)NNC(=O)c1cn[nH]c1 1331536928 MWDPCKYRFKQMRN-ZETCQYMHSA-N 303.344 -0.871 50 20 DBGD CC[C@](C)(C#N)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1345409477 BNGRFVLNWAYYJN-GZMMTYOYSA-N 302.356 -0.556 50 20 DBGD CN(NC(=O)c1nnn([C@H]2CCNC2)c1C(F)F)C(N)=O 1578505944 CODIOVJFXZLASB-YFKPBYRVSA-N 303.273 -0.595 50 20 DBGD NCC(F)(F)CC(=O)NNc1nccc(N2CCOCC2)n1 1580217032 HMGZBDLOEPZEPV-UHFFFAOYSA-N 316.312 -0.260 50 20 DBGD C[C@H](CC(=O)O)C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1592360339 UKYISIDYZLTKMJ-KOLCDFICSA-N 313.354 -0.502 50 20 DBGD O=C(NNC(=O)c1cc(-c2nn[nH]n2)cs1)c1ncccn1 1593157259 DACYCLFKQWYEHG-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD O=C(O)C1CC2(CC[C@@H](CNCc3ccc(B(O)O)cc3)O2)C1 1594904881 HYYUOXWINKNXNA-UGWHAMFMSA-N 319.166 -0.132 50 20 DBGD COC(=O)CN(CC(=O)O)S(=O)(=O)CBr 1598862605 KSNWSJKPFZWJGA-UHFFFAOYSA-N 304.118 -0.772 50 20 DBGD O=C(O)Cc1occc1C(=O)NNC(=O)C(=O)N1CCCC1 1602155355 NSMDIEDHYKFXJX-UHFFFAOYSA-N 309.278 -0.710 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1ccc(C(=O)O)cn1 1608327080 CPPZYJDAMIDLKC-UHFFFAOYSA-N 307.266 -0.835 50 20 DBGD COCCN1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)C1 266999707 ZZOWRSBKUOCFET-CYBMUJFWSA-N 321.381 -0.325 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NCC(=O)N1CCOCC1 271985206 PEGAIFOGIHXFGW-UHFFFAOYSA-N 320.349 -0.202 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccccc1 273525996 UDWGWJXCJMBKOW-VHSXEESVSA-N 313.379 -0.125 50 20 DBGD COc1ncc(NC(=O)NNC(=O)[C@H]2CCCO2)cc1C(N)=O 292701041 KYPNRVVABJPMRW-SECBINFHSA-N 323.309 -0.479 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 292748035 QSUNKCHACDGSBH-NSHDSACASA-N 320.349 -0.072 50 20 DBGD COc1nccnc1NNC(=O)C1(S(C)(=O)=O)CCC1 293865327 YARJPNRXKFBMEA-UHFFFAOYSA-N 300.340 -0.104 50 20 DBGD C[C@H](CO)N(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 298535788 MQOUWASUCUDFGZ-SECBINFHSA-N 310.310 -0.332 50 20 DBGD NNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 492862582 GZUVAFYTGPHTSF-FZKGZDJFSA-N 302.334 -0.220 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(C(=O)C2CC2)CC1 584943347 KYFLPWLJIVEDSV-UHFFFAOYSA-N 302.139 -0.939 50 20 DBGD CCN1C[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1=O 585003111 LKSBBQIFQYKCOZ-SECBINFHSA-N 308.118 -0.896 50 20 DBGD OB(O)c1cccc(CNC2CCN(c3cccnn3)CC2)c1 585038316 ZUVCWSSUQMZVMH-UHFFFAOYSA-N 312.182 -0.085 50 20 DBGD CCN(CC)CCC(=O)NNC(=S)NCC(=O)NC(C)C 727272667 OSPPWFDXYJNNFA-UHFFFAOYSA-N 317.459 -0.262 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=S)NCCCN(C)C 740771825 BSZFRMUFRJXYKQ-UHFFFAOYSA-N 317.459 -0.262 50 20 DBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)NC(C)C)cn1C 745098797 JOUGDAJBVJZOME-UHFFFAOYSA-N 317.371 -0.714 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 756797929 UWHBFZCYFFXVOJ-UHFFFAOYSA-N 314.367 -0.488 50 20 DBGD Cc1nnc(NNC(=O)[C@H](C)n2nnnc2C(C)(C)C)nc1O 757737262 VBHZWMUPWNBSJI-ZETCQYMHSA-N 321.345 -0.126 50 20 DBGD CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NNC(=O)CO 764422473 SDNSBPMPDUDHLJ-VIFPVBQESA-N 311.342 -0.432 50 20 DBGD COc1cc2c(cc1NC(=O)NNC(=O)CO)NC(=O)CC2 767952028 DFSXVRMWNIFRSY-UHFFFAOYSA-N 308.294 -0.275 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)OC)C(C)C 772131196 COCSPRSLOVWLCM-SCZZXKLOSA-N 317.342 -0.144 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1CCCCS1(=O)=O 776156030 JPFDWRIRYIRLLC-SSDOTTSWSA-N 310.339 -0.237 50 20 DBGD C#CCOCCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 784545122 NZFMZRLZPFANJU-ZDUSSCGKSA-N 319.317 -0.193 50 20 DBGD CCOC(=O)C1(CC(=O)NNC(=O)C(=O)NC(C)C)CCC1 789150400 FLAIXTBIFWDKCZ-UHFFFAOYSA-N 313.354 -0.218 50 20 DBGD COCCOCC(=O)NNC(=S)NCCc1ccccn1 794193029 UWBWXIHPGBAILW-UHFFFAOYSA-N 312.395 -0.218 50 20 DBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)NCC(F)(F)F 798315757 PRNHQGVTLWVCPK-UHFFFAOYSA-N 305.278 -0.298 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)N=c2cc[nH]cc2)c(=O)c1 802031988 ABEIGCSYSOYFLE-UHFFFAOYSA-N 301.306 -0.173 50 20 DBGD C[C@@H](O)c1ncc(C(=O)NNC(=O)N2CCN(C)CC2)s1 819721397 RSPMTJWVKWZFTG-MRVPVSSYSA-N 313.383 -0.202 50 20 DBGD CC(=O)N1CCCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 827268856 SROSEDWVCQOIMY-CMPLNLGQSA-N 312.370 -0.294 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCS(=O)(=O)C[C@@H]1C 827272717 BUUKTKKNXQLMCB-GUBZILKMSA-N 319.383 -0.729 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 843651890 PPJSTCQCCWEGOX-SFYZADRCSA-N 316.335 -0.131 50 20 DBGD COCCN(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 848377483 LLPLVMORYPBNKX-UHFFFAOYSA-N 305.356 -0.247 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ncc(Cl)cn1 857729795 GMGTYYOSURZLSF-ZCFIWIBFSA-N 307.763 -0.099 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)[C@@H]1CCCCO1 858830486 XBMOPFLLTVTIMB-VIFPVBQESA-N 303.315 -0.925 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1cc(F)cc(F)c1 863465662 DOOJKWHGJDPHMG-UHFFFAOYSA-N 322.289 -0.464 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 863866387 TZISNMAMHUPOSR-MBGOZMDMSA-N 321.399 -0.869 50 20 DBGD COC(=O)C[C@@]1(NC(=O)c2cccc(B(O)O)c2)CCCOC1 863879421 SIRPFSCZZCUTPO-HNNXBMFYSA-N 321.138 -0.792 50 20 DBGD COC(=O)c1coc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 864231828 SWTIBEMVDFLIML-QMMMGPOBSA-N 303.101 -0.696 50 20 DBGD CC(C)(CCl)CS(=O)(=O)N(CCO)CCOCCO 867386713 JGYJRUVRMWYLLV-UHFFFAOYSA-N 317.835 -0.116 50 20 DBGD O=C(NNC(=O)c1ccnc(Cl)c1F)C(=O)NC1CC1 1116409768 DAMVGXONJBYURU-UHFFFAOYSA-N 300.677 -0.086 50 20 DBGD O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CC[C@H](B(O)O)C1 1118976318 VUFGHPLSTGLIBM-JTQLQIEISA-N 303.083 -0.281 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)c1cn[nH]c1 1261789742 NTSSNICXDNGWPY-ZETCQYMHSA-N 303.344 -0.823 50 20 DBGD Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1cnn(C)c1 1318841804 NZBVXBCAIBWAJQ-UHFFFAOYSA-N 305.342 -0.085 50 20 DBGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cnn(C)c1 1320520488 OTTZHSZNKCISEJ-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NNC(=O)CCO 1321436745 BJDXCCKUCHJQOL-SECBINFHSA-N 311.342 -0.151 50 20 DBGD O=C(CCOCC(F)F)NNC(=O)[C@H]1CCS(=O)(=O)C1 1324493459 SEVXKBRQFJZWES-ZETCQYMHSA-N 314.310 -0.760 50 20 DBGD CC(C)(CO)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1329041185 ZVFGPHJVABZBNI-UHFFFAOYSA-N 321.381 -0.141 50 20 DBGD CCN1CCO[C@@H](C(=O)NNc2nncc(N)c2Cl)C1 1333507218 FVRYQKPWFCTQHE-MRVPVSSYSA-N 300.750 -0.124 50 20 DBGD Cc1cc(C#N)cnc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1347629756 SCQQUUXYEUEAAN-JTQLQIEISA-N 322.346 -0.543 50 20 DBGD C[C@H]1[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C[C@H]2CC[C@H]1N2 1576587683 HKTWJECYAPRAQO-NKBRHBOISA-N 306.146 -0.236 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)C1[C@@H]2CNC[C@@H]12 1579798108 WUTOJYRPCUZJTB-ZIAGYGMSSA-N 316.405 -0.165 50 20 DBGD NC1(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCC1 1580139217 AICHZRHJTNOUTJ-UHFFFAOYSA-N 318.381 -0.278 50 20 DBGD O=C(NNC(=O)C1CCOCC1)c1cn([C@H]2CCCNC2)nn1 1580735992 KODASUVUXIZCNN-NSHDSACASA-N 322.369 -0.610 50 20 DBGD O=C(NNC(=O)c1cnn([C@@H]2CCCNC2)c1)c1cn[nH]c1 1580736970 FMYQZRSPCCOCRF-LLVKDONJSA-N 303.326 -0.395 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc([S@](C)=O)cc1 1593102739 WIPUYHMPELGHSZ-SGWXMTNESA-N 313.335 -0.100 50 20 DBGD C[C@@H]1CN(C(=O)C(=O)NNC(=O)C(=O)O)c2ccccc2O1 1594458595 PCMCCQDJLLHQDQ-SSDOTTSWSA-N 307.262 -0.968 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCO[C@]2(CCSC2)C1 1601552960 PDNKCGGBHDZGQB-RDDDGLTNSA-N 303.340 -0.544 50 20 DBGD COc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1607166502 DLZOATYFCCAPHS-UHFFFAOYSA-N 315.669 -0.481 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(-c2ncn(C)n2)cc1 183619580 MAXTXDRMYJFMAK-UHFFFAOYSA-N 302.338 -0.195 50 20 DBGD C[C@H]1C(=O)Nc2cc(C(=O)NNC(=O)CN(C)C)ccc2N1C 267526800 OKSDTDNUSMLQMX-VIFPVBQESA-N 319.365 -0.214 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nccnc1N 273320528 WZVXBLZICDWOOB-ZETCQYMHSA-N 324.341 -0.267 50 20 DBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)OC)ccc21 490538517 GBJBHMVIUKMIHC-UHFFFAOYSA-N 306.278 -0.290 50 20 DBGD C[C@]1(CCCC(=O)Nc2cccc(B(O)O)c2)NC(=O)NC1=O 584913495 YBCUEIGLGZSCRA-CQSZACIVSA-N 319.126 -0.927 50 20 DBGD O=C1CC[C@@H](NCc2ccc(B(O)O)cc2F)[C@@H](C2CC2)N1 585040782 AUTPKCLBCVVXMP-UKRRQHHQSA-N 306.146 -0.348 50 20 DBGD O=C(NCC(=O)N1CC[C@H](B(O)O)C1)c1ccc(F)cc1F 585065824 KMPJBAKOKOTTQW-QMMMGPOBSA-N 312.081 -0.230 50 20 DBGD CC(C)(CNC(=O)NNC(=O)C1CCC1)NS(C)(=O)=O 732247284 DAUMBVODRCXAES-UHFFFAOYSA-N 306.388 -0.555 50 20 DBGD CC(C)n1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 732711647 FRLFMOIPATYVDT-VIFPVBQESA-N 301.372 -0.148 50 20 DBGD O=C(NNS(=O)(=O)c1cnc[nH]1)c1ccc2c(c1)OCO2 736539899 QIGAGFQFOPDNDV-UHFFFAOYSA-N 310.291 -0.238 50 20 DBGD CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)CN(C)C 743333242 MOPNVHQGEYQRMV-ZDUSSCGKSA-N 300.403 -0.511 50 20 DBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNc2ncccn2)C1 745828900 AMLRGJOOEIHRHZ-NSHDSACASA-N 321.385 -0.310 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCCO1 748626306 QWHFFMJKRDFGNV-GHMZBOCLSA-N 303.359 -0.063 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1C1CCCC1)C(=O)NC1CC1 749184159 MOMLMMJXEMAXLJ-GFCCVEGCSA-N 308.382 -0.181 50 20 DBGD Cn1c(N)c(C=NNC(=O)c2ccccc2F)c(=O)n(C)c1=O 749812668 QTDJGQZVJGCDJA-UHFFFAOYSA-N 319.296 -0.431 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc3c(c2)nnn3C)cn1 754295265 ZUZQZMZGJONKBT-UHFFFAOYSA-N 300.282 -0.828 50 20 DBGD Cc1cc(NC(=O)NNC(=O)c2cnccn2)c(=O)n(C)c1 757715224 GSBJAWAFEXPAFR-UHFFFAOYSA-N 302.294 -0.050 50 20 DBGD Cc1ncccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758024438 FUJMBRTZBPFVHN-MRVPVSSYSA-N 300.340 -0.911 50 20 DBGD CN(C)C(=O)COC1CN(S(=O)(=O)CBr)C1 782468729 ZRBAOJQBASZSAZ-UHFFFAOYSA-N 315.189 -0.542 50 20 DBGD Cc1nc(SCC(=O)NNC(=O)N2CCN(C)CC2)n[nH]1 807379223 VRJBPXSKFAYMMK-UHFFFAOYSA-N 313.387 -0.807 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccccn1 816808250 HYXWBUPYIHWIAZ-QMMMGPOBSA-N 300.340 -0.830 50 20 DBGD C#CCN(CC(=O)NNC(=O)C(C)(C)O)C(=O)OC(C)(C)C 832754935 WPLIYHXKCMDTND-UHFFFAOYSA-N 313.354 -0.225 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCNC(=O)c1ccco1 843648984 RTCONCSULDSION-VHSXEESVSA-N 309.322 -0.028 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)C1CCCC1 847338166 XLOJRUTTZFHEKH-UHFFFAOYSA-N 312.395 -0.179 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)c(OC)c1 847451647 LSDOJMQYWAYCFT-NXEZZACHSA-N 321.333 -0.024 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N2)cc(OC)c1OC 854178757 IXWZCFOWMBYEBO-MRVPVSSYSA-N 323.305 -0.638 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=S)N[C@@H](C)C1CC1 855099141 SHLRCVFCCMSUJG-ZETCQYMHSA-N 308.429 -0.781 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)c1cc[nH]n1)n1cccn1 855358991 AYEPXIRYLBUAGQ-VIFPVBQESA-N 319.325 -0.913 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C1(C(N)=O)CC1 855831286 MMNMCTAAIIXPFD-UHFFFAOYSA-N 312.370 -0.658 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)CNc1cccc(OC)c1 856792574 WPLHBFOSQCMKIY-GFCCVEGCSA-N 311.338 -0.084 50 20 DBGD Cc1cc(C#N)ccc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863413887 USXBTYBPRKHQFR-JTQLQIEISA-N 322.346 -0.545 50 20 DBGD Cn1nc(C(=O)NNC(=O)CS(C)(=O)=O)c2ccccc21 863468204 UBZNCXSXZDQFRK-UHFFFAOYSA-N 310.335 -0.621 50 20 DBGD COCCOCC(=O)NNC(=O)c1cnc(COC)s1 869906105 RHEQHTILTUEZCP-UHFFFAOYSA-N 303.340 -0.287 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCCCN1C(C)=O 869909460 XAIWWOJWWJUDDR-LLVKDONJSA-N 301.343 -0.802 50 20 DBGD CN(CC(=O)NNc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 874649611 USAKJFFMNZYMLC-JTQLQIEISA-N 316.358 -0.217 50 20 DBGD CC(C)N1CCN(CCC(=O)NNC(=O)c2ncccn2)CC1 910914670 MMHZTBJUFQQTLA-UHFFFAOYSA-N 320.397 -0.346 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=S)Nc2ccccn2)C1=O 913825699 MVXCDSQRPTWZPX-SECBINFHSA-N 309.351 -0.744 50 20 DBGD Cn1cc(C=NNC(=O)C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 920358858 MKYDKHMNPLFEFB-UHFFFAOYSA-N 316.277 -0.069 50 20 DBGD O=C(NC1CC1)N[C@@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1118811407 XDLPNHUVCNFWFM-SNVBAGLBSA-N 321.341 -0.700 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1261461039 XAWUYDAXYACGNA-UWVGGRQHSA-N 306.322 -0.099 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 1317717315 SOFYHCBJTGPPHY-UHFFFAOYSA-N 320.305 -0.697 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c(C)c1 1324325781 SFAYNLKCUKHALW-UHFFFAOYSA-N 318.333 -0.332 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cncc(C#N)c1 1326976437 FZCKDCKDOVDETC-GZMMTYOYSA-N 310.335 -0.312 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)C(=O)NCCF 1329924693 AVZNCLYPPPWKIW-SSDOTTSWSA-N 315.280 -0.361 50 20 DBGD CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)C1 1335369434 ZVZQBMBWPOENFT-ZJUUUORDSA-N 306.384 -0.226 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ccccc1Cl 1346142544 VPPMUAIHQJBXHD-VIFPVBQESA-N 317.754 -0.207 50 20 DBGD CNC(=S)N(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 1347797225 RPACAMCFJREGQQ-UHFFFAOYSA-N 308.429 -0.875 50 20 DBGD CNC(=S)N(C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1351033772 VXIGOTTYNHZWJL-SSDOTTSWSA-N 311.454 -0.626 50 20 DBGD O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@H]2CCCCN2C1=O 1353044772 RKWUGWYLNCHTNP-VXGBXAGGSA-N 324.381 -0.103 50 20 DBGD CNC[C@@H](O)[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1 1578648148 YYVWHUOGFDOYGE-VXNVDRBHSA-N 300.746 -0.288 50 20 DBGD C[S@](=O)C1(C(=O)NNC(=O)c2ccncc2)CCNCC1 1579355879 QAWQSKXNSXPKSV-NRFANRHFSA-N 310.379 -0.657 50 20 DBGD C[C@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCCN1 1579509425 NMGWNNZMTOWOTG-CQSZACIVSA-N 305.338 -0.899 50 20 DBGD NCC[C@H](NC(=O)NNC(=O)Cc1ccncc1)C(F)F 1580283600 UHOYSFSUEACHDH-VIFPVBQESA-N 301.297 -0.063 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1C1CC1 1592879190 ZJUFVOSSPIVVNS-UHFFFAOYSA-N 317.309 -0.111 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(CC(=O)O)CCOCC1 1594441957 GUZNSNQANBGHIU-UHFFFAOYSA-N 310.310 -0.249 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CC1)c1ccc(-c2nn[nH]n2)cc1 1606849166 CZYFRDWWKRIDCL-SNVBAGLBSA-N 302.294 -0.601 50 20 DBGD CC(C)(C(=O)O)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 1609651124 OMYWWVCMEMISKA-UHFFFAOYSA-N 312.370 -0.975 50 20 DBGD CCn1nc(C(=O)NNC(=O)COC)c2ccccc2c1=O 15939740 RTASBNBMZZBOSJ-UHFFFAOYSA-N 304.306 -0.176 50 20 DBGD Cn1nc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1=O 47871910 JSUAVFUEFGMSRG-UHFFFAOYSA-N 304.281 -0.077 50 20 DBGD O=C(CCn1nnc2ccccc2c1=O)NNC(=O)NC1CC1 64428276 QDAJUVCWDBRYFY-UHFFFAOYSA-N 316.321 -0.326 50 20 DBGD COc1cccc(NNC(=O)CN2CCCS2(=O)=O)n1 272543230 PMAJGCCELSEDOZ-UHFFFAOYSA-N 300.340 -0.431 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccco1 362970615 MFBDTUGKZOUXKV-DJLDLDEBSA-N 315.351 -0.532 50 20 DBGD NC(=O)[C@H]1CCCN(CCCNCc2ccccc2B(O)O)C1 585022134 JLDANGUBDZPLGW-AWEZNQCLSA-N 319.214 -0.957 50 20 DBGD COc1ccc(CSCC(=O)NCB(O)O)cc1[N+](=O)[O-] 585062683 VSFVXGWMPQJYPT-UHFFFAOYSA-N 314.128 -0.035 50 20 DBGD COCCOCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737006098 NXUDEISSNGWAQA-UHFFFAOYSA-N 320.309 -0.709 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ncccn2)C[C@H](C)O1 743290719 JSSGFYASDXZXQV-QWRGUYRKSA-N 307.354 -0.263 50 20 DBGD COC(=O)[C@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 752311648 ORLJFGGVVDHTIT-SECBINFHSA-N 301.343 -0.946 50 20 DBGD CC(C)N1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C)C1 754258390 HTAGFIIYOVXVAD-VHSXEESVSA-N 304.416 -0.244 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)c(F)c1 779843957 FPMHGTCUQXUKFD-UHFFFAOYSA-N 319.314 -0.200 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCSC1 810345864 TYTZBGBPMIJLTG-SFYZADRCSA-N 309.413 -0.785 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)[C@H]1CCO[C@H]1C 843278477 ZIFUWHWLIFUGKC-IUCAKERBSA-N 302.400 -0.569 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1SC(=N)NC1=O 843973098 JDVIPFKSUPVYRU-LYFYHCNISA-N 300.340 -0.885 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCO[C@H]2C)c(=O)n1 843973469 YLLAMLULRILQTO-QWRGUYRKSA-N 308.338 -0.567 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1ccc(C#N)cc1 844651877 XHENXQHCCQJUFQ-UHFFFAOYSA-N 312.351 -0.384 50 20 DBGD CC1=C(C(=O)NNc2cccnn2)[C@@H](C)n2nnnc2N1C 847715087 DTIPMCIXQMOVCL-MRVPVSSYSA-N 301.314 -0.109 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccccc2)CCC1=O 852580331 MSRISUIERXRIBE-UHFFFAOYSA-N 304.350 -0.388 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2cccc(F)n2)nn1 856423190 NEUCNMGPKRUYNS-ZETCQYMHSA-N 308.273 -0.673 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCCC1 858278000 UUNVKQKMNXFQNX-GHMZBOCLSA-N 311.386 -0.530 50 20 DBGD CCN(CC)[C@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858697099 OVLAGFXAARTABN-WDEREUQCSA-N 311.386 -0.578 50 20 DBGD CCN1CCOC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 875062484 LZLZDMHINLOJDZ-NEPJUHHUSA-N 319.427 -0.801 50 20 DBGD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCCCl)C1 882008721 RQWVNEBDASXKDE-MRVPVSSYSA-N 304.821 -0.431 50 20 DBGD C[C@@]1(C(=O)NNC(=O)C(=O)N2CCCC2)C[C@@H]1Br 906470654 NNFGCONJQRQCFL-WRWORJQWSA-N 318.171 -0.070 50 20 DBGD COC(=O)CNC(=O)CNC(=O)[C@@]1(C)C[C@H]1Br 907882161 ROJBVUGYOBAESW-LDWIPMOCSA-N 307.144 -0.435 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NN(C)C[C@@H](C)O)c1 910161747 AMXIUFILNXODCS-SSDOTTSWSA-N 307.397 -0.386 50 20 DBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1115818475 ASOMSBYUYREOLK-QMMMGPOBSA-N 313.335 -0.587 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c1 1116905224 SMHDOLAMBLCLFP-UHFFFAOYSA-N 311.323 -0.553 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1117705703 LCQITHFGNHBOLA-MRVPVSSYSA-N 318.374 -0.047 50 20 DBGD CC(C)n1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)nn1 1261128498 TXZYMLMBRJVWPT-VIFPVBQESA-N 314.371 -0.321 50 20 DBGD Nc1nccnc1C(=O)NNc1nccc(N2CCOCC2)n1 1319168968 OCHGVAQXZPCDNJ-UHFFFAOYSA-N 316.325 -0.558 50 20 DBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320880949 AMQRPCGIPVZIJD-UMBAGQNISA-N 312.351 -0.455 50 20 DBGD O=C(NCCC[C@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 1321084347 MWRAVYPGZQBNOA-LLVKDONJSA-N 312.370 -0.055 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCCN(C(C)=O)C1 1329551593 PNMPQQZYSBJTBK-NSHDSACASA-N 301.343 -0.945 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 1332150446 XZBQOESJDJXBAN-SNVBAGLBSA-N 307.416 -0.608 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cnc(C2CC2)[nH]1 1332313216 XVXVZYIHMSZRIU-MRVPVSSYSA-N 312.351 -0.517 50 20 DBGD CN(C[C@@H]1COCCO1)C(=O)NNC(=O)c1cccc(F)n1 1350394574 PSLWCFHYBIYKQI-SECBINFHSA-N 312.301 -0.078 50 20 DBGD CC1(C)[C@@H](C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)C[C@H]1N 1576371851 NLRWIYVAKZWTAJ-JHJVBQTASA-N 324.425 -0.240 50 20 DBGD COC[C@]1(C(=O)NNCC(F)(F)C(F)(F)F)CNCCO1 1578976547 BGEFCNZVIINFLX-QMMMGPOBSA-N 321.246 -0.190 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@]1(C(=O)O)CCCO1 1591703231 HYVVJPVBKMJXJD-ZDUSSCGKSA-N 318.326 -0.443 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)c(F)c2)nn1 1608099045 YDCRSLXDQVECPZ-UHFFFAOYSA-N 307.241 -0.273 50 20 DBGD O=C(O)c1coc(S(=O)(=O)NNC(=O)c2ccccn2)c1 1608990971 XMLVPDWKLNWNEM-UHFFFAOYSA-N 311.275 -0.004 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2ncco2)c1 1610714267 MBDDIWHPVHRMRJ-UHFFFAOYSA-N 318.245 -0.488 50 20 DBGD C[C@H]1CN(C)C[C@@H](C(=O)NN=Cc2c(C(=O)O)cnn2C)O1 1776092525 QLEKCMFYDZSUGD-KWQFWETISA-N 309.326 -0.713 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)c1cnn(-c2ccccc2)c1 73110398 BPDXVXOANGDKGF-UHFFFAOYSA-N 315.333 -0.236 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)c1cccnc1 192565547 PGNKJQRHNPXFNJ-UHFFFAOYSA-N 312.289 -0.648 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 272550433 YXZFNBPYGCJFFH-NXEZZACHSA-N 324.362 -0.007 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)O1 279583791 GYMXEFKETVLNDM-UWVGGRQHSA-N 322.277 -0.611 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)N[C@@H](C)C(F)(F)F 288734192 FVIHVTWDKIAGJF-WHFBIAKZSA-N 320.293 -0.795 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CC2CC2)co1 294113388 JZGBTQHGTHNDAE-UHFFFAOYSA-N 301.324 -0.251 50 20 DBGD O=C(CNC(=O)c1cccc(F)c1)NNC(=O)N1CCOCC1 299435047 RHYXQNPNCINJIV-UHFFFAOYSA-N 324.312 -0.372 50 20 DBGD CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cccc(B(O)O)c1 584945438 HYQSQBBXRQKEJA-JTQLQIEISA-N 313.184 -0.738 50 20 DBGD CNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(B(O)O)c1 584964372 HDGZWMIQRMIUKD-QWHCGFSZSA-N 304.155 -0.599 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c1ccco1 725742004 YOGGXFGEVJYPIK-QMMMGPOBSA-N 310.310 -0.929 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 729258305 MQJUDGOESGMZEK-GFCCVEGCSA-N 321.333 -0.110 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)C[C@@H]2SC(=N)NC2=O)c1 742638391 DBFHDLBCTHJLCS-VIFPVBQESA-N 317.330 -0.124 50 20 DBGD CN(C)C(=O)NNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 746008759 UJDCKOGBVLIXTO-UWVGGRQHSA-N 310.354 -0.146 50 20 DBGD CSc1cccc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)c1 753444295 IVKIJXDRCAVEIS-VIFPVBQESA-N 323.374 -0.099 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1ncc(F)cn1 760911914 ITQXPJJSFIWWDW-UHFFFAOYSA-N 322.300 -0.077 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@H]3CCCO3)nc21 769819460 RYZLSHBWRCNDND-SSDOTTSWSA-N 307.314 -0.126 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(CO)CO 772211766 BYIMMMSOVHIUAM-VIFPVBQESA-N 304.343 -0.898 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)C1CC1)N1CCCS1(=O)=O 772630224 HJRNDZXPSHAVMN-SNVBAGLBSA-N 303.384 -0.396 50 20 DBGD CCOC(=O)CN(CC(N)=O)S(=O)(=O)CBr 782426927 NTPGBDTUNNLDIZ-UHFFFAOYSA-N 317.161 -0.981 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 801105525 GJVIULILMMTYET-SNVBAGLBSA-N 304.306 -0.640 50 20 DBGD C[C@]1(NNC(=O)NCCCCC(=O)O)CCS(=O)(=O)C1 820215332 SOAFPTNNYBJBFD-NSHDSACASA-N 307.372 -0.378 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(C(=O)C2CC2)C1 827259017 GPVGPUSZWWZHFC-ONGXEEELSA-N 310.354 -0.336 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 841376840 XLPWTTZRJFRDAI-RDDDGLTNSA-N 311.269 -0.151 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNc2ncccn2)C1 845417537 GDBNKFWLTNCGET-QMMMGPOBSA-N 300.344 -0.863 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCO[C@@H](c3ccco3)C2)N1 858697027 ONMRASZKLMZBDG-GXSJLCMTSA-N 322.321 -0.328 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NN=c3cc[nH]cc3)CC2=O)cn1 860675544 BYSDXEHEBOIFPL-JTQLQIEISA-N 300.322 -0.267 50 20 DBGD CC(=O)c1cccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862448182 ARVAHANWUXHRMA-GFCCVEGCSA-N 319.317 -0.306 50 20 DBGD Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862451460 NAOSYHKYPWHDBJ-QWRGUYRKSA-N 307.354 -0.123 50 20 DBGD O=C(CSc1ccc(O)cc1)NNC(=O)[C@H]1CCC(=O)N1 862456774 SRYMHYCTAFPMLH-SNVBAGLBSA-N 309.347 -0.090 50 20 DBGD O=C(NNC(=S)NCCCN1CCOCC1)c1cn[nH]c1 863205265 SULCGNYLXVKUGP-UHFFFAOYSA-N 312.399 -0.759 50 20 DBGD CCC[C@@H](C(=O)OCC)S(=O)(=O)NNC(=O)c1cn[nH]c1 863414507 YKIBTNGODZOAPF-VIFPVBQESA-N 318.355 -0.294 50 20 DBGD C[C@@]1(C(=O)NCCN2C(=O)CNC2=O)C[C@@H]1Br 906685644 LXGRZVOEYMRFRB-QUBYGPBYSA-N 304.144 -0.172 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cc[n+]([O-])cc2)C[C@@H](C)O1 912924706 HBWCWDMGANIXMZ-VXGBXAGGSA-N 322.365 -0.420 50 20 DBGD CN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O 914919455 CNYJTGSKNHNUNY-NSHDSACASA-N 319.317 -0.531 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)C1CCCC1 918321261 FARSENQAYKSDTO-UHFFFAOYSA-N 303.384 -0.250 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 1116181889 LBYDOYDCCIJFEU-ZJUUUORDSA-N 300.359 -0.390 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 1116713330 ICEJDQNPCRHCOV-UHFFFAOYSA-N 309.278 -0.210 50 20 DBGD CCOC1(C(=O)NNC(=O)CN2CCCC2=O)CCOCC1 1262183022 IRGFKDFRHKULNQ-UHFFFAOYSA-N 313.354 -0.658 50 20 DBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1 1262185999 JVIBYCXOQORCPC-SNVBAGLBSA-N 310.354 -0.985 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1)N[C@@H]1CCS(=O)(=O)C1 1318854408 ZHMWEHMRJIBMJK-SFYZADRCSA-N 307.397 -0.601 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)Cc1cccnc1 1322469863 VTPNUJSBUNBKHN-UHFFFAOYSA-N 318.333 -0.299 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 1325724727 QTKVXUKDMCGVOM-UHFFFAOYSA-N 318.289 -0.136 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nc[nH]c2nccc1-2 1328086054 JAQSAHXTKKQVOT-ZETCQYMHSA-N 323.334 -0.895 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1329240240 SDBQBVPEADAWOG-ZJUUUORDSA-N 319.383 -0.657 50 20 DBGD CCC(=O)N[C@@H](CCSC)C(=O)N1CC[C@H](B(O)O)C1 1329673448 YDRLACFYJTYDBR-UWVGGRQHSA-N 302.205 -0.290 50 20 DBGD Cc1cccc2nc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cn12 1330226870 NVHXYAHMBNFZAN-VIFPVBQESA-N 301.306 -0.318 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1332469688 MKPLIGXHZKOSAS-VHSXEESVSA-N 308.400 -0.688 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCOC[C@H]2CCOC2)cn1 1339216020 ZWKKDJFIEWNFNG-JTQLQIEISA-N 311.342 -0.583 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1OC 1345066157 JQJIGNHEMPIZOX-MNOVXSKESA-N 307.306 -0.198 50 20 DBGD O=C1OCc2ccc(S(=O)(=O)N3CC[C@H](B(O)O)C3)cc21 1348489759 BNSVKVKPRVBTRR-VIFPVBQESA-N 311.124 -0.406 50 20 DBGD C[C@@H]1CNC[C@H]1CC(=O)NNC(=O)C(=O)Nc1ccccn1 1579450706 CKFXKEHAGMWPRQ-NXEZZACHSA-N 305.338 -0.587 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccncc1C(=O)O 1594712715 ZYSHVDDAMJBDNI-SSDOTTSWSA-N 309.278 -0.118 50 20 DBGD O=C(N[C@@H](C(=O)O)c1ccccn1)c1ccc(B(O)O)cc1 1608387810 GFGNNYSYJIKNEI-GFCCVEGCSA-N 300.079 -0.683 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cn1 254989896 PDAUIIZKAMVCPP-WTKPLQERSA-N 314.305 -0.810 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)OCc1ccccc1 265075468 OWXVFWNAZWIRRB-UHFFFAOYSA-N 308.338 -0.378 50 20 DBGD CN1CC[C@H](N(C)CC(=O)NNC(=O)c2ccc(F)cc2)C1=O 265634519 HBDNYJBMDRZURK-LBPRGKRZSA-N 322.340 -0.251 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 272679406 NEIIJUMGCQCWIJ-NXEZZACHSA-N 310.354 -0.146 50 20 DBGD O=C(CNS(=O)(=O)CBr)N1CCOCC1 308748408 BJJJHUNFKYHSJM-UHFFFAOYSA-N 301.162 -0.883 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NN(C)C(=O)OC)C1 495628225 DYHXOOWTAVHSML-SECBINFHSA-N 307.372 -0.223 50 20 DBGD NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584938856 ODBCXMMLNRMFDS-GFCCVEGCSA-N 305.143 -0.971 50 20 DBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)CN1CCOCC1 584950091 PGTPOIVEKYOJLP-NSHDSACASA-N 324.161 -0.796 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1OC 732258410 NLGWQSMSEHIUCJ-VIFPVBQESA-N 307.306 -0.257 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(C(=O)NC2CC2)CC1 740852165 OBYQIHWJPBIOFW-UHFFFAOYSA-N 324.381 -0.503 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=S)NC1CCN(C)CC1 748605051 CJTBQYXXDJAFNI-JTQLQIEISA-N 318.443 -0.373 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)c2cnn(C)c2)ccn1 751384813 MACFSWLGKYMBIM-UHFFFAOYSA-N 303.278 -0.324 50 20 DBGD CN(CCS(C)(=O)=O)C(=O)NNC(=O)c1cccc(C#N)c1 753056109 AEWFEMDFAZTAEJ-UHFFFAOYSA-N 324.362 -0.111 50 20 DBGD CO[C@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)C[C@H]1OC 753806800 DKKHDRMHVOLZGR-SDDRHHMPSA-N 301.387 -0.086 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCCO2 764300337 YHINPURMMGQTID-UHFFFAOYSA-N 323.305 -0.420 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1O 768765737 GOSBILWFTDLGCH-GWCFXTLKSA-N 302.334 -0.368 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cc(C#N)cc(Cl)n1 769057029 SJMYTALIGISUHT-UHFFFAOYSA-N 303.731 -0.401 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1nccnc1C(C)C 772868574 ZVNVPJGVKNMNCE-UHFFFAOYSA-N 301.372 -0.018 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)CCNC(=O)N(C)C 777717346 VJNJOEFZIJAQKF-NSHDSACASA-N 315.418 -0.229 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cn3c(n2)CCCC3)CC1 807380500 WSCCKQNJMNBIJW-UHFFFAOYSA-N 306.370 -0.179 50 20 DBGD O=C(O)NCCC(=O)NNC(=O)Cc1cn2ccccc2n1 832599423 ODNGXWXLJALOEN-UHFFFAOYSA-N 305.294 -0.318 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)[C@H]1CCCCO1 843602290 QUZWWHCSHDPJFI-SNVBAGLBSA-N 307.354 -0.049 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 845443540 YTLSWLADKJYIRL-BBBLOLIVSA-N 322.321 -0.340 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2CCOC3(CCC3)C2)N1 858514030 NNUXLCPLXCRNEM-MNOVXSKESA-N 324.381 -0.055 50 20 DBGD O=C(CN1CCC(N2CCOCC2)CC1)NNC(=O)C1CC1 859353709 IUTIHVYIGKMOHS-UHFFFAOYSA-N 310.398 -0.660 50 20 DBGD COc1nccnc1NNC(=O)[C@H](CCSC)NC(N)=O 862003129 GOHQFLRIHBIHGO-ZETCQYMHSA-N 314.371 -0.282 50 20 DBGD CC(C)(C)C(=O)CCCC(=O)NNC(=O)CS(C)(=O)=O 863465889 LQKKWUNNFXUAQV-UHFFFAOYSA-N 306.384 -0.036 50 20 DBGD COC(=O)N1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 863871177 CBGDJHQRCLJEHW-UHFFFAOYSA-N 306.127 -0.673 50 20 DBGD C#CC[C@H](CCOC)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 875920099 VXDYBRHNZFGZCJ-DGCLKSJQSA-N 317.411 -0.204 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1c(F)cc(F)cc1F 885151092 VAQGZGHWCUQWGM-UHFFFAOYSA-N 318.255 -0.201 50 20 DBGD O=C1CN(CC(=O)NNc2nccnc2C2CCC2)CCN1 908196888 PFPPPESUXRHABS-UHFFFAOYSA-N 304.354 -0.381 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 1116745684 WWXNZUQMNLAKCD-VIFPVBQESA-N 320.305 -0.705 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1C 1255507922 LXCALZVXPZLIJS-UHFFFAOYSA-N 304.262 -0.874 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1cccnn1 1320338775 FJLNCLDXYFKDGC-VNOQCFOKSA-N 317.305 -0.918 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)cc1C 1320537256 KAZATQGJXFGZNC-UHFFFAOYSA-N 318.333 -0.332 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)c2cnccn2)c1 1325141352 XUMPIOFZDZQVDF-UHFFFAOYSA-N 309.307 -0.497 50 20 DBGD O=C(c1cccc(N2CCNC2=O)c1)N1CC[C@H](B(O)O)C1 1329673374 XCVWLAZPUFKJQD-NSHDSACASA-N 303.127 -0.095 50 20 DBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)C(C)C)cn2n1 1329980569 CIYBWLYEJXJUGU-UHFFFAOYSA-N 304.310 -0.220 50 20 DBGD O=C(CSc1nncs1)NNC(=O)CN1CCCC1=O 1332227920 GVTWFKGRVCHWJI-UHFFFAOYSA-N 315.380 -0.600 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1336373322 JMPKBIOROWHVRN-VIFPVBQESA-N 310.310 -0.781 50 20 DBGD NC(=O)Cn1cc(NC(=O)C(=O)NNc2ccccc2F)cn1 1338609328 SLVIXDVDCBEFCK-UHFFFAOYSA-N 320.284 -0.411 50 20 DBGD C[C@H](C(=O)NNc1ccccc1S(N)(=O)=O)n1cncn1 1344048446 JQZZLWAEHNCITO-MRVPVSSYSA-N 310.339 -0.370 50 20 DBGD CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](B(O)O)C2)s1 1348490067 LUYNVGYVRCTXLH-ZETCQYMHSA-N 319.173 -0.661 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CSCC(=O)N2)cc1 1352327812 UPDMTIZVEZQOTI-JTQLQIEISA-N 309.347 -0.312 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1591011899 CPWTVVKEQZBKBI-UHFFFAOYSA-N 304.314 -0.419 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](O)C[C@@H]1C(=O)O 1591111881 WYNDQPGXUXZLLG-IVZWLZJFSA-N 301.343 -0.912 50 20 DBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1 1591781159 USETUQCEMUAIAO-UHFFFAOYSA-N 309.278 -0.356 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)Cc1ccncc1 1594568269 KHHPBWREQOXBES-UHFFFAOYSA-N 303.278 -0.483 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C[C@@H]1CCCO1)C(=O)O 1594712531 QMTBZPUGMPMGHC-GUBZILKMSA-N 301.343 -0.456 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)O)c1 1610351953 ILACGQXFMBSALZ-UHFFFAOYSA-N 323.305 -0.564 50 20 DBGD CC(=O)NCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843365843 OAVKCIMMSCVGPZ-SNVBAGLBSA-N 305.737 -0.140 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNC(=O)c1ccc(C#N)cc1 144550053 ZCCFAIDWJVJMGN-UHFFFAOYSA-N 324.362 -0.063 50 20 DBGD O=C(NNC(=O)C1CCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 264699914 JJXCLJVHGBAMEC-UHFFFAOYSA-N 324.362 -0.569 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CC[C@@H]1C(=O)OC 285460660 ANUOMBKJUFSBFJ-UWVGGRQHSA-N 313.354 -0.362 50 20 DBGD CCOC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 495322559 RVHXNSNQYNBQSY-UHFFFAOYSA-N 324.293 -0.667 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)OC(C)(C)C)C1=O 496630585 DTIRYPVOMBAHDN-SSDOTTSWSA-N 300.315 -0.127 50 20 DBGD NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)c(F)c1 584936175 GVMJWRJUGSMAKO-JTQLQIEISA-N 308.118 -0.624 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCO[C@H]([C@H]2CCCO2)C1 584958909 UZUPTORAJPNOJN-KGLIPLIRSA-N 323.129 -0.475 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H](Cn2ccnn2)C1 584965933 VJUCTJBJDBNEMU-GFCCVEGCSA-N 314.154 -0.490 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCN([C@H]2CCOC2)CC1 585006134 AVTRCKJQSGUZNS-LBPRGKRZSA-N 322.145 -0.948 50 20 DBGD CCn1cccc(CNCc2ccc(B(O)O)cc2F)c1=O 585039382 TZDBSTKHBYSEBB-UHFFFAOYSA-N 304.130 -0.023 50 20 DBGD CCn1cc(-c2n[nH]cc2C(=O)N2CC[C@H](B(O)O)C2)cn1 585063812 HSIVZOVGQARZHE-JTQLQIEISA-N 303.131 -0.018 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 739668042 GNIBDKYLAODGIO-UHFFFAOYSA-N 317.323 -0.396 50 20 DBGD CC(=O)NNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 765179341 MRYVSNABZNNZGD-UHFFFAOYSA-N 307.310 -0.536 50 20 DBGD Cn1cnn(CC(=O)NNc2nc(-c3cccnc3)no2)c1=O 778728838 MXSSONPOYOHOAZ-UHFFFAOYSA-N 316.281 -0.830 50 20 DBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@H](C)OCCOC 788890453 FUBSEYTYFJWTSJ-ZJUUUORDSA-N 318.374 -0.765 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccccc1-n1cnnn1 798305811 HSUVBYDCRLVRHE-UHFFFAOYSA-N 303.351 -0.043 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n1 810572364 QXLGKHTYMFRALF-UHFFFAOYSA-N 324.300 -0.461 50 20 DBGD Cc1cc(NC(=O)CSCC(=O)NNc2nc[nH]n2)no1 816633807 NLHXJKLRMMCWMS-UHFFFAOYSA-N 311.327 -0.084 50 20 DBGD C[C@H](NC(=S)NNC(=O)Cc1nc2ncccn2n1)C1CC1 855101752 BWWLJOVTMQVRCZ-QMMMGPOBSA-N 319.394 -0.039 50 20 DBGD O=C(Cc1n[nH]c2ccccc12)NNC(=O)[C@@H]1CCC(=O)N1 862452985 PZRPZPHNUISXCV-JTQLQIEISA-N 301.306 -0.469 50 20 DBGD C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862455074 CYCHPARKTJKTIV-NHYWBVRUSA-N 305.334 -0.594 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c2ccccc21 862463440 DDRSVLNSNMNPCC-VIFPVBQESA-N 301.306 -0.387 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NN=c1cc[nH]c(C)c1 862511707 YMJVBZLGIZWJPG-UHFFFAOYSA-N 300.384 -0.073 50 20 DBGD Cc1cccc(NNC(=O)CCn2cc(S(N)(=O)=O)cn2)n1 862523684 KOGXMRURRIDFET-UHFFFAOYSA-N 324.366 -0.233 50 20 DBGD CCCC(=O)NC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 864876501 FAVQPLMICKSKPT-UHFFFAOYSA-N 318.182 -0.113 50 20 DBGD COCCOCC(=O)NNC(=S)NCC(C)(C)CN(C)C 865244326 MATFWWJHCNSSHB-UHFFFAOYSA-N 320.459 -0.268 50 20 DBGD COC(=O)CNC(=O)CNC(=O)[C@]1(C)C[C@@H]1Br 907882164 ROJBVUGYOBAESW-QUBYGPBYSA-N 307.144 -0.435 50 20 DBGD CC(C)Cn1nccc1C(=O)NNC(=O)CN1CCCC1=O 913733469 KDOWEZKOXDMLFB-UHFFFAOYSA-N 307.354 -0.078 50 20 DBGD CCOc1ncccc1CNC(=O)NNC(=O)C(=O)NC1CC1 916400302 BRMDMOCJCQWMHX-UHFFFAOYSA-N 321.337 -0.411 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2cn[nH]c2)c2ccccc2c1=O 917387028 HXTVFENQMIJTMB-UHFFFAOYSA-N 312.289 -0.269 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCCN2C(=O)CCC2=O)n1 1116862958 KTQWSAQPAQSREB-UHFFFAOYSA-N 319.321 -0.517 50 20 DBGD Cc1c(CC(=O)NNC(=O)CNC(=O)c2ccco2)cnn1C 1117708001 JVLDKBFFINOHMB-UHFFFAOYSA-N 319.321 -0.559 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CC(F)(F)F)o1 1118722054 YCHCKWHUPVVUNE-UHFFFAOYSA-N 315.229 -0.360 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccc(F)cc3C2)N1 1118970600 PMEQVSMHOCSIML-MWLCHTKSSA-N 321.308 -0.197 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(S(=O)(=O)CC)CC1 1255938816 XCRCCXMYWLWOLR-JTQLQIEISA-N 319.427 -0.169 50 20 DBGD NC(=O)N[C@H](CC(=O)N1CC[C@H](B(O)O)C1)c1ccccc1 1261844358 LQALFMCRARIWOD-NWDGAFQWSA-N 305.143 -0.139 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(C(C)(C)O)cc1 1320546193 VPOQGDOTBRRVMH-UHFFFAOYSA-N 309.322 -0.083 50 20 DBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC1=O 1321035582 VHPQCWXHMUZOHN-HLTSFMKQSA-N 319.383 -0.923 50 20 DBGD COC(=O)c1occc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1322438075 MUNLYTUKXCELBG-SSDOTTSWSA-N 317.323 -0.546 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)c1ccc[nH]1 1325857495 KDHYOIOIPWIIJA-UHFFFAOYSA-N 322.346 -0.246 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCN(C3CC3)C2)N1 1328699013 AYBXXPGCWUZPCL-KOLCDFICSA-N 309.370 -0.920 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)N=c1cc[nH]cc1 1331557125 YDJSAXSRKZEIIR-UHFFFAOYSA-N 311.298 -0.971 50 20 DBGD C[C@@H]1CCCc2ncc(C(=O)NNC(=O)C(=O)NC3CC3)n21 1332572333 JPHWKQZRWDFPDL-MRVPVSSYSA-N 305.338 -0.180 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cncnc1N(C)C 1338707315 HVJRIKHLDQWJNR-UHFFFAOYSA-N 309.330 -0.826 50 20 DBGD CCn1nc(C(=O)NNc2ccnc(N(C)C)n2)ccc1=O 1339375738 ATJWQFVVCUBORQ-UHFFFAOYSA-N 303.326 -0.124 50 20 DBGD CCc1cccc2c1N(C(=O)C(=O)NNC(=O)CCO)CC2 1342607249 MCTZEQTWIUCSBU-UHFFFAOYSA-N 305.334 -0.332 50 20 DBGD CN(NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(N)=O 1344523858 MPCSJLDKWHKPFL-UHFFFAOYSA-N 306.731 -0.357 50 20 DBGD CN(C)CC[C@@H](N)C(=O)NNc1nc(-c2cccnc2)no1 1346321696 YQQCQIMVJUDGBB-SNVBAGLBSA-N 305.342 -0.146 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(N2CCCC2=O)C1 1521622934 NBWSCRPPVCTFOV-ONGXEEELSA-N 310.354 -0.541 50 20 DBGD NC1CCN(CCNC(=O)NNC(=O)c2ccccc2O)CC1 1580189948 LHPGWTYNJXXCAE-UHFFFAOYSA-N 321.381 -0.241 50 20 DBGD O=C(NNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21)[C@H]1COCCO1 1580736006 KUYIPUVMUMLAHE-WUHRBBMRSA-N 311.382 -0.283 50 20 DBGD COc1nccnc1NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1591669474 HEDDZUXDBJDYGN-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)C(C)(C)O 1591863036 JDBILNLHZIIVBM-UHFFFAOYSA-N 304.310 -0.293 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(C(=O)O)nn1 1608477103 FPAQXUMHYOROFF-BKPPORCPSA-N 321.293 -0.105 50 20 DBGD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796371243 TWZXYCBMKCUINE-HOTMZDKISA-N 308.737 -0.509 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@@H](CO)O1 230014444 UZZYRNNCTASJSC-ZJUUUORDSA-N 313.379 -0.409 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 263675542 JJOSYXLKDPYEAR-JTQLQIEISA-N 321.293 -0.101 50 20 DBGD CC(C)CCC(=O)NCC(=O)NNc1ccc(C(N)=O)nn1 268103005 BOAITLGZJMJICH-UHFFFAOYSA-N 308.342 -0.429 50 20 DBGD CCc1cccc(S(=O)(=O)NNC(=O)NCC(=O)OC)c1 272431273 JMFJUJLIKOGLMZ-UHFFFAOYSA-N 315.351 -0.086 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCC2)cn1 274543536 VBADXRKABXCSPS-UHFFFAOYSA-N 312.351 -0.449 50 20 DBGD CCc1cncc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 279068666 ZXWALYBPUFOFSK-SNVBAGLBSA-N 311.363 -0.160 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CCCC(N)=O)cc1 279687601 HVUPHYUDUYPGCP-UHFFFAOYSA-N 304.306 -0.260 50 20 DBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 299553601 LTORHPRBZHIDLY-SECBINFHSA-N 312.370 -0.693 50 20 DBGD CN(CC(F)(F)F)C(=O)CNCc1cccc(B(O)O)c1 585025186 NWUGOBGRVXFINQ-UHFFFAOYSA-N 304.077 -0.523 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1cc(Cl)nc(N)n1 753454934 ZHPSFJMBRNPFNT-UHFFFAOYSA-N 323.762 -0.784 50 20 DBGD C[C@@H]1C(=O)N(C)CCN1C(=O)NNC(=O)Cc1cccnc1 777508667 PGFRFHKWQMMQBS-SNVBAGLBSA-N 305.338 -0.473 50 20 DBGD COC(=O)c1cc(C=NNC(=O)C(=O)N2CCCC2)cn1C 790165944 YUYKFKLUITVSIB-UHFFFAOYSA-N 306.322 -0.116 50 20 DBGD O=C(NNS(=O)(=O)N1CCC1)c1cc([N+](=O)[O-])ccc1O 795327503 YLINVHLABTXQFX-UHFFFAOYSA-N 316.295 -0.515 50 20 DBGD CNS(=O)(=O)c1cc(NC(=O)NNC(C)=O)ccc1F 806544760 LFYDELNZRIKBRT-UHFFFAOYSA-N 304.303 -0.094 50 20 DBGD O=C(COc1ccc(Cl)cc1)NN=C1C(=O)NC(=O)NC1=O 814213338 IPBXYLCHBYCKSJ-UHFFFAOYSA-N 324.680 -0.443 50 20 DBGD Cn1nncc1NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 816770415 WWNONLACXGDKON-VIFPVBQESA-N 304.310 -0.100 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@](C)(C#N)CC(=O)O)n1 820972315 IJXZQMKDEHBVEU-CYBMUJFWSA-N 307.310 -0.348 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[C@H]1OC 826542294 LHWYDWIASPBJJJ-RNWYCLNJSA-N 315.370 -0.066 50 20 DBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCCCO1 833778418 DBPXSPISHMAKSE-NXEZZACHSA-N 300.359 -0.070 50 20 DBGD O=C(NCCN1CCSCC1)NNC(=O)[C@@H]1CCCCO1 836346946 YPTLSNCWQCAYER-NSHDSACASA-N 316.427 -0.065 50 20 DBGD CCNC(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 843775034 NMAJBZXXZFTGRE-UHFFFAOYSA-N 318.330 -0.546 50 20 DBGD CCOC(=O)NCC(=O)NN(C)C(=S)NCCCOC 854280539 XQIGINYTROBIFQ-UHFFFAOYSA-N 306.388 -0.394 50 20 DBGD CC(C)(O)C(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858524397 MHUNRPVQPQABHS-QMMMGPOBSA-N 300.359 -0.608 50 20 DBGD Cn1nnc2cc(NC(=O)NNC(=O)[C@H]3CCC(=O)N3)ccc21 861186481 MDLCQPMTBGMCHG-MRVPVSSYSA-N 317.309 -0.600 50 20 DBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)[C@@H]1CCC(=O)N1 863147244 BJCPJBOJOAZWPO-ONGXEEELSA-N 306.322 -0.049 50 20 DBGD O=C1COc2ccc(C=NNC(=O)[C@H]3CCC(=O)N3)cc2N1 863152769 FRAPHZSRKDFEJW-SECBINFHSA-N 302.290 -0.254 50 20 DBGD COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 864231796 SMPSOHBSLSMLIU-ZETCQYMHSA-N 319.169 -0.228 50 20 DBGD CC(C)(CCl)CS(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 867066851 SYNUZQCWFVDDPE-MRVPVSSYSA-N 323.802 -0.183 50 20 DBGD COC(=O)N(C)NC(=O)NCCN1CCC(N(C)C)CC1 875428449 ISTKNLOZOFDEQD-UHFFFAOYSA-N 301.391 -0.075 50 20 DBGD C[C@@H](NNC(=O)CN1CCCCS1(=O)=O)C(F)(F)F 880167770 WXAMNHFWJWUXHX-SSDOTTSWSA-N 303.306 -0.016 50 20 DBGD CN1C(=O)NC2(CCN(S(=O)(=O)CCCCl)CC2)C1=O 882031388 XFSNNEMCQAQENC-UHFFFAOYSA-N 323.802 -0.039 50 20 DBGD CC(C)NC1(CO)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 908611599 CPTVAEVNPNLRMM-UHFFFAOYSA-N 320.198 -0.669 50 20 DBGD COc1ccnc(NNC(=O)CCCN2C(=O)CCC2=O)n1 915640085 NKHULZJJNUMQQW-UHFFFAOYSA-N 307.310 -0.143 50 20 DBGD O=C(CN1C(=O)COc2ccccc21)NNC(=O)c1cn[nH]c1 920428496 KQRIQRQCCWUXFS-UHFFFAOYSA-N 315.289 -0.404 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)Cn2cncn2)c1 929086636 LFLKLOQUCNZIPV-UHFFFAOYSA-N 305.294 -0.244 50 20 DBGD CN(C)C(=O)CC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1118810045 CPNLQUYTLRKKIG-UHFFFAOYSA-N 322.369 -0.046 50 20 DBGD O=C(C[C@@H]1CCCCO1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319197018 FSAUSPDZKGXNMI-ZJUUUORDSA-N 319.383 -0.537 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 1321139914 BPULAOVLBKWBSH-LBPRGKRZSA-N 307.306 -0.040 50 20 DBGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)NCC1CC1 1324213564 NNZJFBWDGWGKRL-JTQLQIEISA-N 303.384 -0.058 50 20 DBGD Cn1c(=O)oc2c(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cccc21 1335416560 GTXBXOCNIBCTKL-MRVPVSSYSA-N 318.289 -0.829 50 20 DBGD CCNC(=O)COc1ccc(NC(=O)NNC(=O)CCO)cc1 1342672719 GXGVEVIYROBAPM-UHFFFAOYSA-N 324.337 -0.263 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1346507924 BFCXYLALRJNNTQ-NXEZZACHSA-N 317.484 -0.767 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)[C@H](C)N 1575416413 YDIWPINPZQYPFC-GWCFXTLKSA-N 321.381 -0.422 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)C1CCOCC1 1591784348 IJLDPTDVBRROEA-UHFFFAOYSA-N 319.325 -0.309 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1nc(CCC(=O)O)cs1 1598197109 VLIWMOWIKGAPHG-UHFFFAOYSA-N 315.355 -0.125 50 20 DBGD O=C(N[C@@H](C(=O)O)c1ccccn1)c1cc(B(O)O)ccc1F 1601401360 DMQUWJYRJNXESB-GFCCVEGCSA-N 318.069 -0.544 50 20 DBGD O=C(O)c1sccc1S(=O)(=O)NNC(=O)[C@H]1CCCO1 1602597795 QPQHABJEWPXXOL-ZCFIWIBFSA-N 320.348 -0.065 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)O[C@H](C(=O)O)C1 1603762020 UUELDDPMRFBDBX-AXFHLTTASA-N 315.370 -0.258 50 20 DBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNC(=O)C1CCCC1 1608331899 XIYSMCKKWYZCEM-SNVBAGLBSA-N 311.338 -0.353 50 20 DBGD CCOCCN1CCN([C@@H](C)C(=O)NNC(=O)CC)CC1 111227962 SALYLJSPHLHKIL-LBPRGKRZSA-N 300.403 -0.414 50 20 DBGD Cc1cc(NNC(=O)Cn2ccc(=O)n(C)c2=O)nc(C)n1 128942605 QGVABNKCGGLECH-UHFFFAOYSA-N 304.310 -0.903 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cn1 274900124 SIJJLRGYPJKYLG-LURJTMIESA-N 319.318 -0.689 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C(C)(C)C)ccc1=O 277784132 JLZOVMKRPFMBKF-CABZTGNLSA-N 322.365 -0.008 50 20 DBGD COC(=O)N(C)NC(=O)CN(C)S(=O)(=O)c1cccnc1 495822947 KZAWZGMPDKGHEO-UHFFFAOYSA-N 316.339 -0.569 50 20 DBGD O=C(NC[C@H](CO)Cc1ccco1)c1cccc(B(O)O)c1 584931523 YHGSIPQYYDMAQQ-LLVKDONJSA-N 303.123 -0.460 50 20 DBGD CCS[C@@H]1CC[C@@]1(O)CNC(=O)c1cccc(B(O)O)c1 584956703 GNUFNQTYYTVFIR-TZMCWYRMSA-N 309.196 -0.257 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)c2ccc(B(O)O)cc2)n1 584974537 PMAFPCKABGBGFS-JTQLQIEISA-N 303.127 0.023 50 20 DBGD CCO[C@H]1COCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584976476 RKKFVVHYLIEHGZ-OLZOCXBDSA-N 311.118 -0.571 50 20 DBGD Cc1nc(S(=O)(=O)NCB(O)O)sc1Br 585055722 IAJQEQJZVKGDHR-UHFFFAOYSA-N 314.979 -0.496 50 20 DBGD O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](B(O)O)C1 585065843 KRVCEPGRXQGNTC-SNVBAGLBSA-N 301.111 -0.528 50 20 DBGD O=C(NNC(=O)c1ccc2nc(O)oc2c1)C(=O)N1CCCC1 748240781 XITQQLJJVKFBAH-UHFFFAOYSA-N 318.289 -0.083 50 20 DBGD Cc1noc2ncc(C(=O)NNC(=O)C(=O)N3CCCC3)cc12 748240830 KVLJBRQMGUAKMO-UHFFFAOYSA-N 317.305 -0.085 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](Cn2ccnn2)C1 752060387 OVMURPWRDGMGBY-VXGBXAGGSA-N 308.386 -0.064 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2S(C)(=O)=O)o1 752779526 MBECGMZKTIIDFO-SECBINFHSA-N 315.351 -0.227 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C)C1 771991313 XTGOTFCFMZPXSN-UWVGGRQHSA-N 313.354 -0.410 50 20 DBGD CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)NNC(=O)C1CC1 776601780 GZORCRASGDTKHV-UHFFFAOYSA-N 322.409 -0.123 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C[C@H](C)O)[C@H](C)CO)c1 785538873 YEUNQZYOUXVLMP-OLZOCXBDSA-N 323.393 -0.180 50 20 DBGD Cn1nnc(Br)c1C(=O)NNC(=O)c1ccc[nH]1 809971789 KGAJRGMJMULYFB-UHFFFAOYSA-N 313.115 -0.020 50 20 DBGD CNC(=O)NNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 821633966 MFUSKPAFNGERCK-UHFFFAOYSA-N 319.325 -0.016 50 20 DBGD CCCN1CC[C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C1 823053497 AFYYWPZDVRWNFZ-YPMHNXCESA-N 318.443 -0.148 50 20 DBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N2)o1 823595935 YQQHLDINJKOBQS-SNVBAGLBSA-N 308.338 -0.229 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)Nc1cccnc1 826075818 BZOBVZPYAKLOAB-GXSJLCMTSA-N 321.337 -0.225 50 20 DBGD COc1ccccc1C(=O)NNC(=O)Cn1nc(C)n(C)c1=O 846864882 FVXXYJRNBLMZSE-UHFFFAOYSA-N 319.321 -0.640 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cccc(F)n1 853052719 ZAHRDTHFDBZVRQ-UHFFFAOYSA-N 313.358 -0.146 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)CC(F)(F)F 855000554 KGDWYTHBJZBTTE-XNCJUZBTSA-N 311.260 -0.638 50 20 DBGD Cc1cccc2c1O[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C2 862462419 WVVZDBHBPYLGTE-MNOVXSKESA-N 303.318 -0.275 50 20 DBGD CCOC(=O)[C@@H](F)C1CN(C(=O)c2ccc(B(O)O)cc2)C1 863883687 JJFVPBBHSABXDW-LBPRGKRZSA-N 309.102 -0.660 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC#CCO 923789843 VVUWXCQQQXWGMK-JTQLQIEISA-N 309.297 -0.081 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCCC(=O)NC2CC2)cn1 1116467168 UJAGTAZQDUNTTI-UHFFFAOYSA-N 308.342 -0.577 50 20 DBGD Cc1cccc(F)c1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 1116720559 XGSSLYZVWJBQPH-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCc2ncncc2C1 1118276759 SAYRDKDMBBDDCX-SECBINFHSA-N 300.322 -0.305 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccc(F)cc3C2)N1 1118970598 PMEQVSMHOCSIML-GXSJLCMTSA-N 321.308 -0.197 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326005425 JXLKZJGFZFZYGM-IVZWLZJFSA-N 321.399 -0.435 50 20 DBGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 1327588991 CDOIJZSEFCAVEW-KOLCDFICSA-N 323.353 -0.025 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1330262679 ZISYYMOQMHHSEE-PRJMDXOYSA-N 318.317 -0.447 50 20 DBGD CCc1nocc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1331780772 QCKJZKZZUFQJMV-ZETCQYMHSA-N 301.324 -0.567 50 20 DBGD Cc1nnc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 1333776520 BDIRBCQHSKLQOA-ZCFIWIBFSA-N 304.353 -0.958 50 20 DBGD COCCC[C@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1337365966 RTXIRGADMGOPGV-VHSXEESVSA-N 321.399 -0.433 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn2ccncc12 1341986285 DQJZWKXQUVADTQ-QMMMGPOBSA-N 305.294 -0.168 50 20 DBGD CN(C)N(C(=O)c1ccc(C(=O)O)[nH]1)[C@@H]1CCS(=O)(=O)C1 1574550252 QUZZNUDSXHCABG-MRVPVSSYSA-N 315.351 -0.181 50 20 DBGD CC(C)(C)[C@@H](N)CC(=O)NNC(=O)CNC(=O)c1ccco1 1575113351 RTBHAQZDPLBVHF-JTQLQIEISA-N 310.354 -0.080 50 20 DBGD COC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCN1 1579089959 CNZJHZAUZOBRTE-IUCAKERBSA-N 316.358 -0.965 50 20 DBGD NCCCC(=O)NNC(=O)c1ccc2c(c1)C(=O)NCCO2 1580289829 SBBDMLJNIUKTID-UHFFFAOYSA-N 306.322 -0.691 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)CC(=O)O 1589992192 QMYQDVJJYAVWOH-ZETCQYMHSA-N 301.299 -0.382 50 20 DBGD Cn1cc(-c2nn[nH]n2)c(NC(=O)NNc2ccncn2)n1 1592560663 MZPGQWLIBKBPFV-UHFFFAOYSA-N 301.274 -0.461 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1594159072 CBVSQVMWRAOUMH-QMMMGPOBSA-N 323.309 -0.749 50 20 DBGD O=C(NNC(=O)[C@@H](C(=O)O)C1CCCC1)[C@@H]1COCCO1 1605814741 QXUROPKMDBPWKA-UWVGGRQHSA-N 300.311 -0.560 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)COCC(=O)O)cc1 1607798137 CAAOOBQYWBUYIF-UHFFFAOYSA-N 309.278 -0.818 50 20 DBGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792902073 RGISYCCFCPLFGI-JXUBOQSCSA-N 320.773 -0.811 50 20 DBGD O=C(NNc1nnc[nH]1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 294014613 ULVLZMUGDSSXRT-WDEREUQCSA-N 320.353 -0.311 50 20 DBGD COC(=O)[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 391330406 WDCZWOHFFRDXFC-GFCCVEGCSA-N 321.333 -0.679 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)N1CCCCC1 584984986 DUOATPWSLURHOO-SNVBAGLBSA-N 322.145 -0.364 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584997610 ICDUTIDGFADIJN-ZMJPVWNMSA-N 303.098 -0.469 50 20 DBGD CCOc1ccc(C(=O)N[C@H](C(=O)NCB(O)O)C(C)C)cc1 585054934 USWLINYVEUEHDS-ZDUSSCGKSA-N 322.170 -0.032 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cn(C)nc1C 728435040 UCBXKXHNPRWUPS-VIFPVBQESA-N 301.372 -0.494 50 20 DBGD CC(C)S(=O)(=O)CC(=O)NNc1ccnc(N(C)C)n1 740112785 PRAFZTQELIFXHQ-UHFFFAOYSA-N 301.372 -0.191 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNc1ncnc2[nH]cnc12 743470583 GULUMEVWUBFDFQ-UHFFFAOYSA-N 320.357 -0.748 50 20 DBGD CC(=NNC(=O)C(=O)N1CCCC1)c1cc(C(N)=O)n(C)c1 748136844 TUHJUKSOGBAKSZ-UHFFFAOYSA-N 305.338 -0.413 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc2c(c1)OCO2 758054115 JIULIARDPSMDRY-UHFFFAOYSA-N 323.305 -0.719 50 20 DBGD CN(NC(=O)CSc1nnnn1CC(F)(F)F)C(N)=O 778417692 CLAPXOPFKAVUME-UHFFFAOYSA-N 313.265 -0.631 50 20 DBGD COc1cccc(NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)n1 780770212 LVDLYFNFWCDGSX-VIFPVBQESA-N 314.367 -0.043 50 20 DBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)n1nnc(-c2ccccc2)n1 787955204 VQVPLZXZMUPTPR-SECBINFHSA-N 318.337 -0.181 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)nc1 815147533 XVAIAIMHJYPHTB-UHFFFAOYSA-N 322.321 -0.055 50 20 DBGD CON(C)C(=O)CNC(=O)NNC(=O)Cc1ccc(F)cc1 817791144 RFJSNVMJRRINCT-UHFFFAOYSA-N 312.301 -0.282 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 820115018 XNDOIBJDUMWORU-GFCCVEGCSA-N 310.306 -0.120 50 20 DBGD CC[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)N(C)C 820842135 KFSQZZFQQBBVRU-LLVKDONJSA-N 317.353 -0.032 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)CC(F)(F)F 822645696 LCKMIQUJVRFFJK-UHFFFAOYSA-N 317.231 -0.081 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 823970497 HMRIMWSUCSFZAZ-VXGBXAGGSA-N 306.366 -0.226 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)cn1 828088210 UHONYKUYUPFFDK-UTUOFQBUSA-N 319.365 -0.124 50 20 DBGD N#Cc1ccc([C@@H](NNC(=O)[C@H]2COCCO2)C(=O)O)cc1 833071328 DYZRMSSECROVKW-VXGBXAGGSA-N 305.290 -0.280 50 20 DBGD Cn1c(NNC(=O)[C@H]2CCO[C@H]2CN)nc2ccccc2c1=O 852803655 ODTAHFGXJXRSJG-JQWIXIFHSA-N 317.349 -0.260 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NC1CCCCC1 854192596 RDAJGDXCGBHMAO-VIFPVBQESA-N 320.415 -0.023 50 20 DBGD O=C(NC[C@@H](C(=O)O)C1CCC1)NNC(=O)C(=O)NC1CC1 854238075 OSKNUZOYRHKOPG-SECBINFHSA-N 312.326 -0.904 50 20 DBGD CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858696638 MLWHRJCISGHCDD-GHMZBOCLSA-N 312.370 -0.247 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(O)c1 858700507 NDTOJBKNGUXUBZ-JTQLQIEISA-N 322.321 -0.490 50 20 DBGD O=C(CCSc1ccccn1)NNC(=O)[C@H]1CCC(=O)N1 862455607 HQQBKWPFEKOBGJ-SECBINFHSA-N 308.363 -0.010 50 20 DBGD CN(C)CC1(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 874270530 WYULJWCAVADJNR-UHFFFAOYSA-N 324.406 -0.033 50 20 DBGD O=C(NCCN1CCSCC1)NNC(=O)C1CCOCC1 883401562 QJKXVVWKXNODEK-UHFFFAOYSA-N 316.427 -0.208 50 20 DBGD CNC(=O)c1cccc(C(=O)NNc2ccc(C(N)=O)nn2)c1 1319141677 DXNFHLYHFNWVGL-UHFFFAOYSA-N 314.305 -0.308 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)N1CCc2ccc(C#N)cc21 1320357506 CTCHFDJPOPBSIT-UHFFFAOYSA-N 316.317 -0.369 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 1320542827 HBWDJYXORKUBSR-UHFFFAOYSA-N 322.277 -0.153 50 20 DBGD CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 1321153705 FDOJRJGCVOQAEY-UHFFFAOYSA-N 321.337 -0.708 50 20 DBGD CN(C)N(C(=O)Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1327707375 WCGIDPAONAAHRQ-NSHDSACASA-N 300.384 -0.545 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1OC(F)F 1336670160 SVVSGTWDQWEPQC-YFKPBYRVSA-N 317.252 -0.939 50 20 DBGD NC(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1338089788 RYAGNWFURZXXEF-UHFFFAOYSA-N 304.306 -0.831 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCNC1 1575098474 DYISBSQUWFVSMM-SNVBAGLBSA-N 313.402 -0.379 50 20 DBGD CC(C)[C@@H](N)C(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1575447540 OZSTZZLACXKIFK-VHSXEESVSA-N 319.427 -0.422 50 20 DBGD COc1cc(C(=O)N2CC[C@@H](B(O)O)C2)ccc1-c1nn[nH]n1 1591509799 AXDPRUHRRUIGOW-SECBINFHSA-N 317.114 -0.436 50 20 DBGD Nc1cccnc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1592760646 PAPZDNHJAKZYHH-UHFFFAOYSA-N 324.304 -0.081 50 20 DBGD C[C@@H](NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O)C(F)(F)F 1593318792 KDMMETCYYWEDJC-RNFRBKRXSA-N 311.260 -0.119 50 20 DBGD Cc1cc(C(=O)O)cc(C(=O)NNC(=O)CS(C)(=O)=O)c1 1594288527 USWPPDODYCQXIL-UHFFFAOYSA-N 314.319 -0.501 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@H]2C(=O)O)c1 1605320564 QTLUVKHWDXDLKK-LBPRGKRZSA-N 321.333 -0.459 50 20 DBGD CC(=O)NNC(=O)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1 1609063871 KCVKMTPWNKJZNY-UHFFFAOYSA-N 312.293 -0.167 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 45266268 ZIALUWBGFLMUGN-GFCCVEGCSA-N 305.334 -0.058 50 20 DBGD O=C(NCCCN1C(=O)CNC1=O)NNc1ncccc1F 287266863 IBXVHVLURGWHMK-UHFFFAOYSA-N 310.289 -0.211 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)c(O)c1 367201146 NFUPHCUPSRABNX-ZDUSSCGKSA-N 318.377 -0.148 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)[C@H]1CN2CCCN1CC2 376798418 HGPADHSQKZXPQQ-CQSZACIVSA-N 320.368 -0.095 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)c1c[nH]nc1[C@H]1CCOC1 584913652 HQPIEKROMJFTKW-VIFPVBQESA-N 301.111 -0.154 50 20 DBGD CC(C)CN1CCO[C@@H](CNCc2ccc(B(O)O)cc2F)C1 585016707 WXSJMDBBRHDPMT-HNNXBMFYSA-N 324.205 -0.048 50 20 DBGD CCN1CCN(C[C@@H](C)CNCc2cccc(B(O)O)c2)CC1 585021682 BYPAKMXMGIFGOD-HNNXBMFYSA-N 319.258 -0.270 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCn1ccnc1 726082277 MPNAQVRTZMZQJU-UHFFFAOYSA-N 320.309 -0.764 50 20 DBGD CN1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 732281741 BNOSNQPWPFUJMV-JTQLQIEISA-N 308.338 -0.359 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)C[C@@H](C)O1 736808889 KGSBPGFCOULVRC-LMLFDSFASA-N 313.354 -0.646 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc(C(=O)O)n2)cc1 738513465 MAKYUMFLXAFRHL-UHFFFAOYSA-N 303.278 -0.254 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)c1 744404473 SFUGIDHOGQWHBV-UHFFFAOYSA-N 304.350 -0.470 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N(C)C 750605576 FLPZIPUKZXKSBJ-VIFPVBQESA-N 303.326 -0.627 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(OCC(F)F)cc1 764421492 KRNOCAPJUCVKHN-UHFFFAOYSA-N 317.248 -0.591 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N(C)C 765383172 QOERJGYLBLHRJI-VIFPVBQESA-N 312.395 -0.035 50 20 DBGD CC1(C)CCN(CC(=O)NNC(=O)C2CC2)CCS1(=O)=O 773970413 ZMUFRUKPNBHBNJ-UHFFFAOYSA-N 317.411 -0.557 50 20 DBGD C#C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCCO1 776225048 OSQATIKJXVDDMS-GHMZBOCLSA-N 308.338 -0.880 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3C[C@@]3(CO)C2)c1 782636136 WYQLRUYUUDGDSG-CJNGLKHVSA-N 314.345 -0.367 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)c2ncn(C)n2)c1 809949126 ZSMIYXXXRIOOJQ-UHFFFAOYSA-N 305.294 -0.093 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 822690386 XLQLPJCYMQCWRK-UHFFFAOYSA-N 300.282 -0.392 50 20 DBGD COCCNC(=O)Cn1cc(NC(=O)NN(C)C2CC2)cn1 824218210 GEHLMSRVHRHKPR-UHFFFAOYSA-N 310.358 -0.224 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCNC(=O)C(C)(C)C 825925534 PYFYHLCQDYMDNW-NXEZZACHSA-N 314.386 -0.096 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCCOCC1 826863532 ZUGQJPLQDNHCIX-NEPJUHHUSA-N 314.386 -0.536 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 833246865 SXJPSEHDCMHCPI-MWLCHTKSSA-N 321.337 -0.521 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NN=Cc1ccc(S(N)(=O)=O)o1 842550620 ZIRFCPRKFNGRRV-IONNQARKSA-N 301.324 -0.198 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842586763 PLBPERJUKMRNAA-VHSXEESVSA-N 316.383 -0.229 50 20 DBGD COC[C@H](OC)C(=O)OCC(=O)NNC(=O)c1cccs1 850198578 FWXHOEKOOUOBIU-QMMMGPOBSA-N 316.335 -0.286 50 20 DBGD COC(=O)[C@](C)(CO)NCC(=O)NNC(=O)c1cccc(C)c1 852157950 GXCWFRRXZNSISL-HNNXBMFYSA-N 323.349 -0.730 50 20 DBGD CNC(=S)N(C)NC(=O)c1nnn(-c2ccn(C)n2)c1C 854921655 VJIUALIQUXOQTG-UHFFFAOYSA-N 308.371 -0.610 50 20 DBGD CC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCOCC1 858696095 INFBRFBNQHRZMU-WDEREUQCSA-N 312.370 -0.199 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)Cc2cccnc2)cn1 865167806 UMBLPHYSYGHJFU-UHFFFAOYSA-N 316.365 -0.157 50 20 DBGD CCNC(=O)NNC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC 920858793 BWMDESMNRGCWRO-UHFFFAOYSA-N 319.321 -0.326 50 20 DBGD COC[C@@H](C)NC(=S)NNC(=O)C(=O)Nc1ccccn1 1116260684 CKLDOHDZNYZFDB-MRVPVSSYSA-N 311.367 -0.450 50 20 DBGD COc1ccccc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331496534 CFHVPYASVNBXIC-JTQLQIEISA-N 306.322 -0.196 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)N1 1340499712 UKJIEKLOWFDWES-CDGCEXEKSA-N 314.345 -0.066 50 20 DBGD CN1CCNC[C@H]1C(=O)NNc1ncc(Br)cn1 1342078203 VGNIIRHISRYIDV-QMMMGPOBSA-N 315.175 -0.414 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccccc1F 1350794789 SMMQRGUTZDPDOO-GXFFZTMASA-N 306.341 -0.025 50 20 DBGD C[C@@H]1NCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1576886976 WEKGMDNSDZUPSB-UHTWSYAYSA-N 310.398 -0.615 50 20 DBGD Cc1cc(C(=O)NNC(=O)NCCN)c(C)n1-c1ccon1 1579565219 DRKWICMKHILFRS-UHFFFAOYSA-N 306.326 -0.015 50 20 DBGD NCC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)C(F)F 1580283598 UHOYSFSUEACHDH-SECBINFHSA-N 301.297 -0.063 50 20 DBGD Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)c1cc[nH]n1 1591863373 UOLKNZYPAULYFJ-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H](C(=O)O)C3CC3)nc21 1605561808 SUTQQKHZGLKYMH-ZETCQYMHSA-N 306.282 -0.377 50 20 DBGD O=C1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)N1 1607039270 KFGYUXHCFZVIBN-QMMMGPOBSA-N 307.701 -0.148 50 20 DBGD Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)NNC(=O)C(=O)O)cn1 1608109454 CWGPPUVVVGHDJK-VHSXEESVSA-N 309.326 -0.454 50 20 DBGD C[C@H](C(=O)NNc1ccc(C(=O)O)cn1)N1CCN(C)CC1 1609636450 UZZFKVJSGSSCAL-SNVBAGLBSA-N 307.354 -0.141 50 20 DBGD O=C(CCBr)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847445662 AQJQXRIWSWPGPH-YUMQZZPRSA-N 321.171 -0.716 50 20 DBGD COCCNC(=S)NNC(=O)[C@@H]1COc2ccccc2O1 16185048 XFSNNGVKTQKREG-NSHDSACASA-N 311.363 -0.032 50 20 DBGD CNC(=O)NNC(=O)CNC(=O)c1cc(OC)cc(OC)c1 139307589 RKJOAJDVVWOOEF-UHFFFAOYSA-N 310.310 -0.606 50 20 DBGD Cc1nc2c(c(C)c1CC(=O)NNC(=O)N(C)C)c(=O)[nH]n2C 264993509 CERJLNTWZBLNEZ-UHFFFAOYSA-N 320.353 -0.277 50 20 DBGD COCCS(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 265643684 QYTXQGQNUBOQCX-NSHDSACASA-N 316.335 -0.577 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C[C@H]1CCCO1 268815829 HSOLVHJECAQGOI-LLVKDONJSA-N 306.322 -0.472 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1nc(O)c2ccccc2n1 270427641 UZHKAZIAZWWUGN-UHFFFAOYSA-N 319.321 -0.117 50 20 DBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)Cc2ccccc2F)O1 280517750 MKEXOFFNHDHKJQ-GHMZBOCLSA-N 309.297 -0.452 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@H]1CCCC(=O)N1 291971541 PYKNXQNZXPCEDK-SNVBAGLBSA-N 312.370 -0.503 50 20 DBGD CC(C)NC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 299306418 QLRNXDAIVUDPJF-FSZOTQKASA-N 320.349 -0.468 50 20 DBGD Cc1nccn1C[C@H](C)CNC(=O)c1ccc(B(O)O)cc1 584932666 PSWURBRHWFRMBK-LLVKDONJSA-N 301.155 -0.063 50 20 DBGD CN(CCN1CCCC1=O)C(=O)c1cc(B(O)O)ccc1F 584943722 FUJWTUYGQCSACF-UHFFFAOYSA-N 308.118 -0.800 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](c2nnc(O)o2)C1 584984615 BZEJDPWSWKSQHG-JTQLQIEISA-N 317.110 -0.525 50 20 DBGD C[C@@H]1CN(CCNC(=O)c2cc(B(O)O)ccc2F)[C@H](C)CO1 585006566 ODXXTAHPPACYEX-GHMZBOCLSA-N 324.161 -0.656 50 20 DBGD CCN1CCN([C@@H](C)CNCc2ccccc2B(O)O)CC1 585016193 TUOVJYMFRIQNNQ-AWEZNQCLSA-N 305.231 -0.518 50 20 DBGD O=C(NCCn1cncn1)NNC(=O)c1cccc([N+](=O)[O-])c1 726710442 ZJFQDBHHYDYDJC-UHFFFAOYSA-N 319.281 -0.170 50 20 DBGD CN(CC(=O)NNc1cnnc2ccccc12)S(C)(=O)=O 733810742 AZPCYBXILNBDMI-UHFFFAOYSA-N 309.351 -0.036 50 20 DBGD CS(=O)(=O)N1CCC(=NNC(=O)CN2CCCC2=O)CC1 747630959 XHHHPMPYEIHZGB-UHFFFAOYSA-N 316.383 -0.864 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)COc1ccc(F)cc1 754974936 VBSAHSBPUDQPKG-CYBMUJFWSA-N 300.286 -0.251 50 20 DBGD Cc1ccc2cccc(NC(=O)C(=O)NNC(=O)CO)c2n1 764421896 SBBQEFOHMCRYNR-UHFFFAOYSA-N 302.290 -0.379 50 20 DBGD CS(=O)(=O)[C@@H]1CCCCN(CC(=O)NNC(=O)C2CC2)C1 770001752 RFCKWHADZZHAFG-LLVKDONJSA-N 317.411 -0.557 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccncc2)co1 770569662 UFTKBSFGQHITFM-UHFFFAOYSA-N 310.291 -0.603 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(C)nn1C 788994494 KHNREYMPLWKKDR-SNVBAGLBSA-N 313.383 -0.061 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 789734260 IOFQCXAGJLZTHC-UHFFFAOYSA-N 321.337 -0.153 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CC(=O)N2CCCC[C@@H]12 799481461 VAOJNBJGEQHDPS-JTQLQIEISA-N 319.321 -0.313 50 20 DBGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)c1ccc[nH]1 800490971 MONIURWWEPAONM-UHFFFAOYSA-N 314.348 -0.202 50 20 DBGD CN(C)C(=O)CCNC(=O)NNc1ccc(-n2ccnc2)nn1 805180834 LKTFUGWGRYFLBW-UHFFFAOYSA-N 318.341 -0.233 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CCCCCS(N)(=O)=O 816823787 GLURGHMLUAJKAW-UHFFFAOYSA-N 316.383 -0.365 50 20 DBGD Cc1c(Cl)c(C(=O)NNC(=O)N2CCN(C)CC2)nn1C 817756881 KQQJFIQMJQJXAB-UHFFFAOYSA-N 314.777 -0.016 50 20 DBGD CC(C)n1cncc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 819807226 CAEIJBYYNHOQML-VIFPVBQESA-N 301.372 -0.148 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826307928 BUOFCCYTVLEYCY-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 843652211 IPFWWSXXHNXQFN-VHSXEESVSA-N 318.395 -0.226 50 20 DBGD COC(=O)C12CC(C(=O)NNC(=O)N3CCN(C)CC3)(C1)C2 844138883 ZQGFBKROQJIIFN-UHFFFAOYSA-N 310.354 -0.682 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@H](c3cccnc3)C2)N1 858702399 JDHKABBQDPPFCT-RYUDHWBXSA-N 317.349 -0.110 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[nH]c2c1C(=O)CCC2 862449988 MOHMDHYWJNLXLZ-VIFPVBQESA-N 318.333 -0.118 50 20 DBGD O=C(COCCc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 862454119 QPCZYCPREIOINZ-GFCCVEGCSA-N 305.334 -0.328 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(Cl)s2)N1 863413618 KMPNGEZRVGVOOK-YFKPBYRVSA-N 323.783 -0.010 50 20 DBGD C#CCCN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863873425 CFDIRDJXHJNSNX-UHFFFAOYSA-N 304.130 -0.713 50 20 DBGD COC[C@@](C)(CO)NCC(=O)NNC(=O)c1ccc(F)cc1 879164151 WMWZGNZUNCRVOK-CQSZACIVSA-N 313.329 -0.426 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1OCCN(C)C1=O)C1CC1 912162880 ZKMXBMKQCOBYOD-CBAPKCEASA-N 300.384 -0.863 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 913185603 ZAKGWGUNUDGNOY-MRVPVSSYSA-N 307.372 -0.034 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)NCC2CC2)cc1 920889353 SZQCNHHEXDDNIU-UHFFFAOYSA-N 312.351 -0.312 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1115886835 IIUATWHOKZWFII-LLVKDONJSA-N 322.346 -0.311 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 1116618565 CHCPNQXSLBOTLB-UHFFFAOYSA-N 324.312 -0.232 50 20 DBGD Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NNC(=O)CCO 1116771659 TVBOSOIQLZTRMB-UHFFFAOYSA-N 305.294 -0.660 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@@]2(CCOC2)O1 1118810629 LMKSHGKZQRMXGO-NOZJJQNGSA-N 309.326 -0.356 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 1254935000 CCQNWBJWJBRKJJ-UHFFFAOYSA-N 322.256 -0.268 50 20 DBGD CCc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317925259 OHIBNCCKCSEBHQ-SSDOTTSWSA-N 300.340 -0.832 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2cnn(C)c2)ccc1=O 1318566540 MVXFAZFMJJQYMI-UHFFFAOYSA-N 319.321 -0.697 50 20 DBGD CO[C@]1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCOC1 1320251645 NZEAUOJCSOWBJO-NEPJUHHUSA-N 321.399 -0.827 50 20 DBGD Cc1cccnc1NNC(=O)C(=O)Nc1cccc(C(N)=O)n1 1320845262 WHJZGSOMGDZYIG-UHFFFAOYSA-N 314.305 -0.034 50 20 DBGD CC(=O)NCc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 1321438576 BDCWDWOJRGCWPM-UHFFFAOYSA-N 318.333 -0.638 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)cn(C)c1=O 1323942169 ZKTSWBHZAXUOOO-UHFFFAOYSA-N 308.338 -0.174 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)C(=O)Nc1cncnc1 1325599860 FVRZEDCLJORPKR-UHFFFAOYSA-N 317.280 -0.056 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2nc[nH]c2C(F)(F)F)N1 1329531154 RJHATPUSQYAAHX-BYPYZUCNSA-N 305.216 -0.532 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)n1 1347532132 OKRDNVFRJAHPEY-AAEUAGOBSA-N 303.366 -0.461 50 20 DBGD COc1ccccc1NNC(=O)[C@@H](N)CCS(C)(=O)=O 1579309814 PBCQNXSAFVONET-VIFPVBQESA-N 301.368 -0.100 50 20 DBGD CC(=O)NCCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588862678 WIBYMJKZVWJTJW-UHFFFAOYSA-N 319.329 -0.586 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)nnn1C 1594256651 IKMIXUOPKVDKOJ-FZNYLWTLSA-N 321.337 -0.224 50 20 DBGD CCN(CC(=O)O)CC(=O)NNC(=O)c1cccc(C#N)c1 1596222120 HODJXVVPJGTINB-UHFFFAOYSA-N 304.306 -0.274 50 20 DBGD Cc1cc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)nc(N)n1 1605740356 UZVDRBGDXSNLAJ-UHFFFAOYSA-N 312.297 -0.301 50 20 DBGD Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 114165510 XJDQPEKGAHSJQJ-LBPRGKRZSA-N 320.397 -0.053 50 20 DBGD O=C(CN1CCCN(CC(F)F)CC1)NNC(=O)C1CC1 130086644 DMXBCRPHYKWIQH-UHFFFAOYSA-N 304.341 -0.183 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)CSc1ccccc1O 271220453 ZYOOQLZZJIUXJO-ZETCQYMHSA-N 312.351 -0.312 50 20 DBGD COC(=O)NNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C 274278059 JADMZSKFUZYYIZ-UHFFFAOYSA-N 301.324 -0.048 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCc2ncc[nH]2)C[C@@H](C)O1 289164905 WTYWEIGMRNLMOY-VXGBXAGGSA-N 323.397 -0.011 50 20 DBGD CCc1noc(CN(C)C(=O)c2ccc(B(O)O)c(F)c2)n1 584939888 MFZZQKQDSMMGBE-UHFFFAOYSA-N 307.090 -0.277 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](C)N1CCOCC1 584940897 ANMSBQCCHWFZQN-QWRGUYRKSA-N 324.161 -0.656 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 727271393 BJTZQMXYJPBGJH-IONNQARKSA-N 305.425 -0.285 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 728386672 HJPLYBIQYKAGIJ-PWSUYJOCSA-N 324.358 -0.428 50 20 DBGD CN(C)CCCNC(=S)NNC(=O)C(=O)N1CCCC1 748151771 ODOWMQLSQOZXAU-UHFFFAOYSA-N 301.416 -0.944 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNc1cccnn1)n1cccn1 753101443 YUGVATRLBRNXAZ-JTQLQIEISA-N 303.326 -0.164 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 753437025 GATNNBCBDZKWAM-LBPRGKRZSA-N 317.345 -0.332 50 20 DBGD CCCCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)oc1C 754195394 XZKWOCVMXDQOKK-UHFFFAOYSA-N 318.355 -0.020 50 20 DBGD CCN1C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1=O 758829701 HCDRAZIFHPJGLS-VIFPVBQESA-N 319.321 -0.964 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)[C@H]1CCNC1=O 759425853 OPIYWCUHSKKYPV-LBPRGKRZSA-N 315.333 -0.860 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 764318404 UDQANPJLGBBYFP-UHFFFAOYSA-N 311.342 -0.240 50 20 DBGD CC(C)(C(N)=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 767411901 UXOSNFLDOQOQHM-SNVBAGLBSA-N 307.306 -0.515 50 20 DBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)NS(C)(=O)=O 811641662 KUWFFRPWOHAQSF-BDAKNGLRSA-N 304.372 -0.915 50 20 DBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ncc[nH]1 826122007 WSEMHVBCGHAITA-UHFFFAOYSA-N 315.337 -0.123 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)[C@H]1CCCCO1 836254024 ACRAMKKEYFTRKC-SNVBAGLBSA-N 300.359 -0.246 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCCC[C@H]1CN 841952346 BOYBLRBYZMPJET-WOPDTQHZSA-N 316.402 -0.114 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)nc1C 847673391 FRZZWFAUTIBWCT-IUCAKERBSA-N 321.337 -0.084 50 20 DBGD CCN1C[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1=O 852367961 AMXOSZQGGCWXPW-QMMMGPOBSA-N 309.301 -0.215 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ncoc2-c2ccon2)CC1 854381368 ISKQPVQDJWHJFU-UHFFFAOYSA-N 320.309 -0.069 50 20 DBGD Cc1cccnc1C(F)(F)C(=O)NNC(=O)CS(C)(=O)=O 863465610 CTLOCPFTNHAAGR-UHFFFAOYSA-N 321.305 -0.326 50 20 DBGD CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)CCCCl 881969974 AOZQWKDEZTWJBN-VIFPVBQESA-N 318.848 -0.041 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)CNc1ccccc1 918717096 PRUISVPEWCREPA-UHFFFAOYSA-N 309.395 -0.318 50 20 DBGD CCOC(=O)N1CCC(NC(=O)NNC(=O)c2cn[nH]c2)CC1 1261791920 FUJXUWMFJOKOGH-UHFFFAOYSA-N 324.341 -0.025 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc(=O)n(C)c2ccccc12 1318787039 GHLMPYZWZPLGNM-UHFFFAOYSA-N 302.334 -0.139 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)S(C)(=O)=O 1319295603 KKDGNLGKSRHXHK-VIFPVBQESA-N 324.362 -0.543 50 20 DBGD NC(=O)CCCC(=O)NNc1nccc(N2CCOCC2)n1 1322261302 JZBGFOLMGVNONY-UHFFFAOYSA-N 308.342 -0.588 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(Cc2ccccn2)nn1 1323270139 SEYKZPUTFDTRCT-UHFFFAOYSA-N 303.326 -0.956 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 1327543981 KCZUHCASBHGBOS-UHFFFAOYSA-N 322.277 -0.267 50 20 DBGD CC(C)n1cc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cn1 1329397756 KMROJZLCBHRNBU-UHFFFAOYSA-N 312.355 -0.179 50 20 DBGD Cc1nc(Cn2nnc(C(=O)NNC(=O)C3CCC3)c2C)no1 1339393753 YNOYEQRFSWBZCZ-UHFFFAOYSA-N 319.325 -0.113 50 20 DBGD C[S@](=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1348388385 OZGPJSTZHLEYDZ-UZJPJQLHSA-N 309.347 -0.536 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n(C)n1 1349152648 JZQDOZMPXWNXBO-PSASIEDQSA-N 323.353 -0.507 50 20 DBGD COCCn1cc(C(=O)NNC(=O)CCCCCN)ccc1=O 1579079095 UGURRQAQORXWOY-UHFFFAOYSA-N 324.381 -0.225 50 20 DBGD COc1ccc(NNC(=O)[C@H]2CCCN(CCN)C2=O)nc1 1579230552 QSCFAFPNMOJMES-LLVKDONJSA-N 307.354 -0.269 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCN2)cnn1-c1ccncc1 1579526559 OYWSNLHUCDDWQS-LBPRGKRZSA-N 300.322 -0.301 50 20 DBGD C[C@@H](C(=O)NNc1cccc(F)n1)n1cnc(-c2nn[nH]n2)n1 1588998569 CCYTYSHSRZCCOQ-LURJTMIESA-N 318.276 -0.303 50 20 DBGD Cc1cc(NNC(=O)c2cccc(-c3nn[nH]n3)n2)nc(N)n1 1592054175 UYXIUPFMBNGJBF-UHFFFAOYSA-N 312.297 -0.301 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccnc(-c2nn[nH]n2)c1 1592581146 NXUZHLVQYLEDPE-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD Cc1sc(NC(=O)C(=O)NNC(=O)CO)c(C(=O)O)c1C 1608070921 CLAJCWKAMXMUDI-UHFFFAOYSA-N 315.307 -0.859 50 20 DBGD O=C(O)c1cnc(CNC(=O)c2cc(B(O)O)ccc2F)s1 1608972157 MYSBXKMYCNQCIG-UHFFFAOYSA-N 324.098 -0.410 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2COCCO2)c1 264005922 JCHJSIUHLQRTGN-GFCCVEGCSA-N 309.322 -0.330 50 20 DBGD Nc1c(C(=O)NNC(=O)C(=O)N2CCCC2)cccc1[N+](=O)[O-] 267274369 SZJSFWCRIFLEIF-UHFFFAOYSA-N 321.293 -0.440 50 20 DBGD COC(=O)C(C)(C)CCNC(=O)NNC(=O)c1cnn(C)c1 287126375 XLMQFIGJYAXEQW-UHFFFAOYSA-N 311.342 -0.047 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 287987212 NRZONYCIPKWTOA-UHFFFAOYSA-N 324.297 -0.703 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCCCO2)Cn2nnnc2N1C 295732702 MMLOSOZTANWFAV-JTQLQIEISA-N 321.341 -0.887 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)COc2ccc(C#N)cc2)CC1=O 298282184 JIAHSHZKQXICKF-NSHDSACASA-N 316.317 -0.437 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCc3nccn3C2)CC1 377237520 LNVVAMHEQWAJEH-LLVKDONJSA-N 306.370 -0.566 50 20 DBGD C[C@@H](C(=O)NNC(=O)CO)N(C(=O)OC(C)(C)C)C1CC1 497034497 JZYCHZDZLXCQCN-QMMMGPOBSA-N 301.343 -0.086 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)NC(C)(C)C 584934390 RPUGXITVYOUTRH-MRVPVSSYSA-N 310.134 -0.462 50 20 DBGD COCCO[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584986657 JGUKWUQUXPCUPG-AWEZNQCLSA-N 307.155 -0.366 50 20 DBGD OB(O)c1ccc(CNCc2ncc3c(n2)CCOC3)c(F)c1 585046061 QFHYNWPQMNYRDY-UHFFFAOYSA-N 317.129 -0.342 50 20 DBGD C[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@@H](B(O)O)C1 585073969 GXJUDVRUALEEQN-NWDGAFQWSA-N 320.154 -0.355 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)C[C@@H](C)O1 736808887 KGSBPGFCOULVRC-DBIOUOCHSA-N 313.354 -0.646 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@@H]2COCCO2)cn1 745173195 IXQHPBICBFCKOO-VIFPVBQESA-N 312.351 -0.177 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCCN2C(=O)CCC2=O)n[nH]1 765585800 HEIUWHHAIMZSAV-UHFFFAOYSA-N 307.310 -0.592 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 770855579 GBLLHPVXLNFJDS-GXSJLCMTSA-N 306.322 -0.616 50 20 DBGD Cc1cnccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 771734899 JQLJKJWIUMRHCO-MRVPVSSYSA-N 300.340 -0.911 50 20 DBGD CN1CCN(CC(=O)NNC(=O)CCc2ccccc2)CC1=O 780537649 IJFKNWYBZARCJA-UHFFFAOYSA-N 318.377 -0.459 50 20 DBGD Cn1cnn(CC(=O)NNc2nc(O)c3ccccc3n2)c1=O 781429312 KEWXXXJRZRRWIB-UHFFFAOYSA-N 315.293 -0.626 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C(C)(C)O)c(C)o1 787955223 WFDQIPSELNTIEA-UHFFFAOYSA-N 319.339 -0.972 50 20 DBGD CCCNC(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807965719 ILIAHHRBKPORRI-UHFFFAOYSA-N 310.358 -0.807 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 831594758 WUDYOSOHOLKLGH-YUMQZZPRSA-N 309.282 -0.011 50 20 DBGD CCC[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)S(N)(=O)=O 831988893 URYIJCOWTHYHKD-YFKPBYRVSA-N 322.778 -0.388 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2NC(=O)O[C@@H]2C)c1 841375688 KWGSBMBGFFPYEZ-HQJQHLMTSA-N 323.305 -0.038 50 20 DBGD Cn1nc(C2CC2)nc1CC(=O)NNC(=O)[C@@H]1CCCCO1 843602283 QUZWWHCSHDPJFI-JTQLQIEISA-N 307.354 -0.049 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 846634267 OXQBJVDLWAQJAJ-UHFFFAOYSA-N 309.370 -0.035 50 20 DBGD CCn1nncc1C(=O)NN(C)C(=S)NCCCOC 854286222 WTJHCUJMJCEQTR-UHFFFAOYSA-N 300.388 -0.214 50 20 DBGD CNC(=S)N(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 854927220 ZGZAMZUFGTYMSO-UHFFFAOYSA-N 305.367 -0.328 50 20 DBGD COc1cc(C)nc(NNC(=O)CN2CC(=O)N(C)C2=O)n1 859797096 ZOZSSXRVCMBMOT-UHFFFAOYSA-N 308.298 -0.869 50 20 DBGD Cc1cn2ccnc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)c2n1 862459539 VNBLQGYBCCUHAG-MRVPVSSYSA-N 302.294 -0.923 50 20 DBGD COc1ccn2c(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cnc2c1 862460306 GQXHHCUXYWQHBA-SECBINFHSA-N 317.305 -0.618 50 20 DBGD Cc1cc(=NNC(=O)[C@](C)(O)Cn2ccccc2=O)cc[nH]1 862512478 WIEUBHCUSPRRIN-OAHLLOKOSA-N 302.334 -0.132 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1 921024929 JQRGEGVIMLGCFV-UWVGGRQHSA-N 301.343 -0.758 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=S)Nc1ccccn1 1123976438 YPPDVKSFCKUFTH-MNOVXSKESA-N 320.422 -0.213 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)CN2C(=O)CCC2=O)c1 1317695792 BVZUFWKMFVLRMI-UHFFFAOYSA-N 318.333 -0.337 50 20 DBGD COCCOc1cc(C(=O)NNC(=O)C(=O)NC(C)C)ccn1 1319862127 BQHXISMGKZTTCH-UHFFFAOYSA-N 324.337 -0.608 50 20 DBGD N#CC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCCC1 1321947952 NFPGMNAFPUUYCD-VIFPVBQESA-N 314.367 -0.412 50 20 DBGD CC(C)NC(=O)NNC(=O)C1(S(C)(=O)=O)CCOCC1 1324189940 SXEVPCIVNADGGE-UHFFFAOYSA-N 307.372 -0.681 50 20 DBGD COCCOCC(=O)NNC(=O)c1cnn(C)c1C(F)F 1348742308 UAVFIUBBFPPAOY-UHFFFAOYSA-N 306.269 -0.218 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1cccc(F)n1 1348879914 NSUHYMLSOKIAEI-MWLCHTKSSA-N 307.329 -0.630 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@](C)(C(=O)O)c1ccccc1 1349574106 SEPHNVSXUROMGX-CQSZACIVSA-N 323.305 -0.468 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(C(=O)O)=NO1 1574404514 QZFWYHQOJBOILJ-NSHDSACASA-N 305.290 -0.086 50 20 DBGD C[C@H](C(=O)NNC(=O)c1ccccc1F)N1CCNCC1=O 1575072443 VWPWDPZMOFQJHM-SECBINFHSA-N 308.313 -0.593 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 1590338485 RRCICXCFFJSCIA-VXNVDRBHSA-N 319.325 -0.609 50 20 DBGD C[C@H](C(=O)NNc1ccc(C(=O)O)cn1)N1C(=O)CCC1=O 1603174123 ZSEOTWRBINCUOB-SSDOTTSWSA-N 306.278 -0.240 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 113428112 NEJOTSPVKIDDJT-ZDUSSCGKSA-N 318.377 -0.256 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)COc2ccccc2F)CC1=O 267793008 ZKHJCWDYAPWIAO-VIFPVBQESA-N 324.312 -0.234 50 20 DBGD COC(=O)N(C)NC(=O)CC(C)CC(=O)NN(C)C(=O)OC 286249849 GZCAUVGNJFSOBJ-UHFFFAOYSA-N 318.330 -0.139 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NCC(=O)NCCO)cc(C#N)n1C 490753896 MITAXKKHFIQKRE-LFYBBSHMSA-N 315.333 -0.663 50 20 DBGD CN1CCN(C(=O)c2cc(B(O)O)ccc2F)C(C)(C)C1=O 584958032 OLZNFGYWAKHHLM-UHFFFAOYSA-N 308.118 -0.802 50 20 DBGD CS[C@H](CO)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584963036 OOFLKCRSLJMYKW-RDDDGLTNSA-N 301.148 -0.652 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1c(-c2ncccn2)noc1=O 742452072 PSOMLOBQMIPNAG-UHFFFAOYSA-N 320.309 -0.513 50 20 DBGD O=C(Cc1ccccc1)NCC(=O)NNC(=O)N1CCOCC1 745992711 IRXJOQKZKBBUGT-UHFFFAOYSA-N 320.349 -0.582 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(CO)on1 748011430 HHFKEWIWPRRLHH-GFCCVEGCSA-N 319.273 -0.232 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC12CCCC2 758028088 BYMOBQBHGYKIEX-IUCAKERBSA-N 303.384 -0.348 50 20 DBGD CCC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCOCC1 758057762 WMWVCOINUJOWNM-VIFPVBQESA-N 321.399 -0.722 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc([N+](=O)[O-])cnc1O 758067805 DKUCNKYDYYGOIA-UHFFFAOYSA-N 306.238 -0.578 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccc(NS(C)(=O)=O)c1 768261062 KTEAWAPEOFPACI-UHFFFAOYSA-N 315.351 -0.410 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 773633907 JOCIJCRLDWVEHC-MRVPVSSYSA-N 314.342 -0.863 50 20 DBGD COCCOCCC(=O)NNc1ccccc1S(N)(=O)=O 788227710 GMKSOEINOUVWLM-UHFFFAOYSA-N 317.367 -0.170 50 20 DBGD CC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 798272286 KRCLJXOLTFGUQK-UHFFFAOYSA-N 316.295 -0.960 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccnc3c2nnn3C)n[nH]1 801165342 XUYSJQNLNBKPHE-UHFFFAOYSA-N 300.282 -0.530 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1 802098013 XMFQSXLBOVPEGW-GFCCVEGCSA-N 322.321 -0.101 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1 803434537 KYONNDZMHSPPCH-UHFFFAOYSA-N 324.362 -0.090 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3nnc(O)n3c2)CC1 807382762 OPJFOWWMTRZSDG-UHFFFAOYSA-N 319.325 -0.963 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1cc(Cl)nc(N)n1 813515104 RSTKYWYZJHQABP-LURJTMIESA-N 316.749 -0.712 50 20 DBGD CC(C)(CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(=O)O 818624802 RIIWHOXKPXLCEK-LBPRGKRZSA-N 321.399 -0.132 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccccc1F 826425682 OLHHITKVECGNON-UHFFFAOYSA-N 303.261 -0.259 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1cccc(F)c1F 826425800 UMXSBSGBZOAWKF-UHFFFAOYSA-N 321.251 -0.120 50 20 DBGD CCOC(=O)COCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826902175 JCBJDNLNMBIVEB-VHSXEESVSA-N 317.342 -0.679 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)N[C@@H]1COC[C@H]1OC 827482792 TYOVXRUABBDESD-DGCLKSJQSA-N 323.349 -0.018 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1C 843658185 FXMXIHBCSZJDDV-BDAKNGLRSA-N 309.322 -0.002 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1cc[nH]n1 855355923 CKUKPERKSNVFQW-ZETCQYMHSA-N 319.243 -0.276 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 857271946 DGTYAKINWHDKKK-IUCAKERBSA-N 306.326 -0.567 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCCCN2C2CC2)N1 858395607 DEMHAVIUSUMRHU-VXGBXAGGSA-N 323.397 -0.388 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccnn2CC2CC2)N1 860971323 CZBYAUUKJXJHFE-SECBINFHSA-N 306.326 -0.276 50 20 DBGD O=C1NC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)CO1 863878788 RBIPFLLMYVYRCI-UHFFFAOYSA-N 304.111 -0.919 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1CCCO1 883614973 WAKSNUCHGIAGTJ-VXGBXAGGSA-N 315.370 -0.063 50 20 DBGD CC(C)(C)C(=O)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 918585022 RMYKGYFDHBTTDU-VIFPVBQESA-N 305.400 -0.006 50 20 DBGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)OC)c1 1116603805 HYXGEHTYEUUMDJ-UHFFFAOYSA-N 308.294 -0.238 50 20 DBGD CCOC(=O)NNC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 1116774904 ZEWKOIADGQTQKS-SNVBAGLBSA-N 323.353 -0.028 50 20 DBGD O=C(CCCn1ccccc1=O)NNC(=O)[C@H]1CCC(=O)N1 1118884802 QQROERINNIBJCB-SNVBAGLBSA-N 306.322 -0.946 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)O1 1290457532 GBMJZOPOLPMPDB-VHSXEESVSA-N 321.337 -0.918 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccn2)c(O)n1 1323926879 GQFNHJNSNSPMJI-UHFFFAOYSA-N 315.289 -0.110 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2nonc2c1 1326448056 JSUBKMOGGVVPDZ-MRVPVSSYSA-N 324.318 -0.582 50 20 DBGD Cc1nc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1C 1326485145 AEBUOQQKTRITOG-CBAPKCEASA-N 302.356 -0.537 50 20 DBGD COc1cc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)[nH]n1 1335278342 PCIQJNJKNMDWPO-UHFFFAOYSA-N 305.298 -0.093 50 20 DBGD COc1ccc(C(=O)NNC(=O)COCC(=O)O)c(OC)c1 1594078520 FJHPUMXYOTVOGW-UHFFFAOYSA-N 312.278 -0.434 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C(=O)O)c1 1596862561 YCHPFTLOTDWZJX-UHFFFAOYSA-N 323.305 -0.184 50 20 DBGD CN(C)S(=O)(=O)CC(=O)NNc1ccc(CC(=O)O)cc1 1598259528 KNLFUUJWJQYXQU-UHFFFAOYSA-N 315.351 -0.352 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)Cn2ccc(C(=O)O)n2)c1 1601116873 ROIFUFXWRBHYEU-UHFFFAOYSA-N 313.273 -0.086 50 20 DBGD NC(=O)[C@H](NNC(=O)C(=O)O)c1ccc(Br)cc1 1601140550 XOFLNRHMSOWGRQ-SSDOTTSWSA-N 316.111 -0.319 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@H](C(=O)O)C2CCCC2)nnn1C 1605076556 HSXAYGLOHQHXGM-SECBINFHSA-N 309.326 -0.224 50 20 DBGD O=C(NCc1ccnc(C(=O)O)c1)c1ccc(B(O)O)cc1 1608473006 VOAAZXJNGSNPCU-UHFFFAOYSA-N 300.079 -0.610 50 20 DBGD C/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792983148 AUSCUYXMESLUNL-LZTARTRTSA-N 316.785 -0.248 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CN(C)CCO1 267993552 LEWQMHMSHGNQHG-ZDUSSCGKSA-N 307.350 -0.284 50 20 DBGD C#CCN1CCC(C(=O)NNC(=O)Cn2nc(C)cc2C)CC1 299157162 PGPYQHNNIIBZEF-UHFFFAOYSA-N 317.393 -0.007 50 20 DBGD COCCN1CCC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1 585001087 QTVMSODZTULPKY-GFCCVEGCSA-N 324.161 -0.654 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1COc2ccccc2O1 730103368 XTKXYLSKGRMEQX-LBPRGKRZSA-N 302.290 -0.060 50 20 DBGD CCCNC(=O)NNC(=O)COCC(=O)NCc1cccnc1 731184863 MZPGACIBRBMIKC-UHFFFAOYSA-N 323.353 -0.545 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CC1=O 748240672 HXRAUZLSEHYVQV-SNVBAGLBSA-N 324.381 -0.597 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)N2CCOCC2)CCCC1 749851215 HOIHMAWFALWSHC-UHFFFAOYSA-N 319.383 -0.583 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=S)N[C@H](C)C1CC1 751621033 ONMCABQHPBALIP-JGVFFNPUSA-N 307.441 -0.039 50 20 DBGD N#Cc1ncn(CC(=O)NNC(=O)COc2ccccc2O)n1 769189448 LOCRSAXJRGWZTJ-UHFFFAOYSA-N 316.277 -0.918 50 20 DBGD CCNC(=O)NNC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 772690476 AOORFVVXZBXPJY-VIFPVBQESA-N 306.388 -0.603 50 20 DBGD COCCOc1ccc(NC(=O)NNC(=O)CN(C)C)cn1 775507589 NGZDWZQYOOVNJO-UHFFFAOYSA-N 311.342 -0.179 50 20 DBGD CC1(C)CC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 795526988 GXTADEMBRHACLL-SECBINFHSA-N 303.384 -0.060 50 20 DBGD CNC(=O)[C@]1(C)CCN(CC(=O)NNC(=O)c2ccccc2)C1 797525277 HDCVMZZLAPMJNG-MRXNPFEDSA-N 318.377 -0.094 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 821682057 YSKFVUOVPWYXGO-ZDUSSCGKSA-N 320.309 -0.975 50 20 DBGD COc1ccnc(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)n1 824794051 KUCGEWZDUMEILH-ZETCQYMHSA-N 308.298 -0.741 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1sc(C(=O)O)cc1OC 829800034 WWBZZNDBSZRXNB-UHFFFAOYSA-N 323.352 -0.033 50 20 DBGD O=C(NN=C1CCS(=O)(=O)C1)[C@@H]1CN2CCC[C@@H]2CO1 853388277 GYINRGIQPVLCQS-MNOVXSKESA-N 301.368 -0.860 50 20 DBGD CC(=O)N1CC[C@@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1 856972408 KFWVJPAUICXITO-GFCCVEGCSA-N 322.369 -0.549 50 20 DBGD COCCCn1cc(C(=O)NNC(=O)N2CCOCC2)cn1 858905511 BGFSICCFXFSELZ-UHFFFAOYSA-N 311.342 -0.394 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNc3ncncc3F)CC2=O)cn1 861816683 FWQONDNUWXXIPW-MRVPVSSYSA-N 319.300 -0.155 50 20 DBGD CCc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 861945794 BNUZOFNNXJYVCH-LLVKDONJSA-N 318.333 -0.387 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)N1 862459358 RWBNFFPKXAHQTB-KOLCDFICSA-N 317.305 -0.999 50 20 DBGD NS(=O)(=O)CCCCCCC(=O)NNC(=O)c1cn[nH]c1 862469888 DXLIWYHLLCALPQ-UHFFFAOYSA-N 317.371 -0.590 50 20 DBGD CN1CCN(C)CC(C(=O)NNC(=O)NCC(F)(F)F)C1 907967126 JLQRZNKQPSTOER-UHFFFAOYSA-N 311.308 -0.628 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2CCNC(=O)C2)c1F 909358955 CUCQGGLODWMABH-UHFFFAOYSA-N 324.312 -0.513 50 20 DBGD C[C@H](O)CN(C)NC(=O)CNS(=O)(=O)c1cccc(F)c1 910181576 UOQZXJVSHPUDBJ-VIFPVBQESA-N 319.358 -0.552 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)N1 912977923 NRHJAIRYHMZGAL-ZWADGADFSA-N 301.730 -0.659 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=S)NCCN(C)C 916117666 GZDPSYKIJKOGCR-NSHDSACASA-N 317.459 -0.988 50 20 DBGD C[C@](O)(C(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(F)cc1 931247590 KEIDMOYOXBJIFZ-OAHLLOKOSA-N 323.324 -0.197 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CSCC(=O)N1 932430110 WJYKYFLHOVAYSE-VIFPVBQESA-N 309.347 -0.312 50 20 DBGD Cn1c(O)nc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc21 1115892464 VXVMLTJNOOUPOI-UHFFFAOYSA-N 317.305 -0.682 50 20 DBGD COC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 1116528611 SZZPDRLAFOJDQK-QMMMGPOBSA-N 305.356 -0.927 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1cccc(F)c1 1116621055 RCGWDIRPPJVYNE-UHFFFAOYSA-N 305.269 -0.123 50 20 DBGD NC(=O)c1ccccc1CCC(=O)NNC(=O)C(=O)NC1CC1 1116874708 OSTIRCFGYCXDES-UHFFFAOYSA-N 318.333 -0.856 50 20 DBGD O=C(C[C@@H]1CCCCO1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319197011 FSAUSPDZKGXNMI-UWVGGRQHSA-N 319.383 -0.537 50 20 DBGD O=C(NN=Cc1cnc2ncccn12)N[C@H]1CCS(=O)(=O)C1 1319587326 CDAVBMFSRORXBH-VIFPVBQESA-N 322.350 -0.451 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)C[S@](C)=O 1320955704 LECXWLWFQROXKU-ZLVALASMSA-N 309.388 -0.865 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(OC(F)F)cn1 1321333937 HBPIVYWURFIJAO-UHFFFAOYSA-N 316.264 -0.031 50 20 DBGD CC(C)NC(=O)NNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1322629941 KJPLVDAUBZUKAN-SECBINFHSA-N 321.399 -0.293 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)N1CCc2c(F)cccc21 1326090324 YQXZTCAGFZIHOX-UHFFFAOYSA-N 309.253 -0.965 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1n[nH]c2c1CCCC2 1343378971 YUTQVZJMDSKBNT-VHSXEESVSA-N 322.321 -0.318 50 20 DBGD NC[C@H](O)C(=O)NNC(=O)c1cc(F)ccc1Br 1580328220 APCRLRIEDKNDMF-QMMMGPOBSA-N 320.118 -0.331 50 20 DBGD COCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1591367569 RZBXJFQMAWRWMF-UHFFFAOYSA-N 306.282 -0.961 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ccc(F)c(F)c1 1592941906 PUSJGUPUYKCECQ-UHFFFAOYSA-N 321.251 -0.120 50 20 DBGD OB(O)c1cccc(CNCc2ccc(-c3nn[nH]n3)s2)c1 1607092089 PKDDDJJDENXZIQ-UHFFFAOYSA-N 315.167 -0.102 50 20 DBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1cccc(F)c1C(=O)O 1608356774 ZMFJMOQTWDSAJP-ZETCQYMHSA-N 310.241 -0.435 50 20 DBGD NCC(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947503 UYAVRTMCYFQLER-NSHDSACASA-N 310.181 -0.421 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cnccn2)C[C@@H](C)O1 68194849 WDNQXADDLSKWGE-GHMZBOCLSA-N 307.354 -0.263 50 20 DBGD CCN1CCN(CC(=O)NNc2ccccc2F)C(=O)C1=O 153047182 BMEVXCZAJQODNA-UHFFFAOYSA-N 308.313 -0.041 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCCN2C(=O)CN(C)C2=O)[nH]n1 268990558 DQPPDEIFTDIROV-UHFFFAOYSA-N 322.325 -0.847 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1ccc(OC)cn1 275505895 HXRNZEVUIPJMHG-UHFFFAOYSA-N 303.340 -0.406 50 20 DBGD CNC(=O)NNC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 299142605 VHCMKQGLCXOVSK-LLVKDONJSA-N 321.316 -0.135 50 20 DBGD Cc1ccc(CN2C[C@H](C(=O)NNC(=O)CO)CC2=O)cc1 367703339 GFFFXRHWHKVPBL-GFCCVEGCSA-N 305.334 -0.517 50 20 DBGD CC[C@@](NC(=O)c1cc(B(O)O)ccc1F)(C(N)=O)C1CC1 584978775 XHYDULOJWSYSNV-AWEZNQCLSA-N 308.118 -0.721 50 20 DBGD CC(=O)N1CCC[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584985608 NRIDZULGMUPITJ-GFCCVEGCSA-N 304.155 -0.645 50 20 DBGD CN(C)C(=O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 585002559 YPLYBDAZVRCGIX-SECBINFHSA-N 308.118 -0.944 50 20 DBGD CN(CC(=O)NCB(O)O)S(=O)(=O)/C=C/c1ccccc1 585058153 UQKHOBDOGAVRLK-BQYQJAHWSA-N 312.156 -0.953 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@H]23)cn1 735512947 LVKJFEAGTIRJGJ-NWDGAFQWSA-N 306.370 -0.009 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc2c(c1)nnn2C 737431908 RDMNWCCFUHKPQU-QMMMGPOBSA-N 324.366 -0.644 50 20 DBGD CNC(=O)CCCN(C)C(=O)NNC(=O)Cc1cccnc1 753056247 FAFNGNRTGQHBDZ-UHFFFAOYSA-N 307.354 -0.177 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCc2n[nH]cc2C1 757020252 CDNOIROCJQGVHK-VIFPVBQESA-N 321.381 -0.033 50 20 DBGD Cc1ccncc1C(=O)NNC(=O)CNC(=O)c1cccnc1 764343699 QVNCTYJGKWZLLY-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD CN(C)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1Cl 764420918 GYPRTLCYUOQVKP-UHFFFAOYSA-N 314.729 -0.516 50 20 DBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802028164 MHMSJWBNABZSCF-LLVKDONJSA-N 305.338 -0.085 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)c2cccn2C)n1 806337973 JIVZMQMQIHAIQU-UHFFFAOYSA-N 303.322 -0.131 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)NCc1ccco1 813424742 WFVDALUDURMCCU-JTQLQIEISA-N 312.326 -0.757 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](C(=O)O)C2)cc1 819096026 RYKNJARJJSQERO-GFCCVEGCSA-N 316.317 -0.274 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826076170 OSLXBRKRXFALBI-NEPJUHHUSA-N 316.402 -0.290 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)COCC(=O)O 844248848 HCAYMCQVXFUTIU-UHFFFAOYSA-N 302.308 -0.366 50 20 DBGD CC(C)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1O 854213437 GFBJKZQUBCZQOP-UHFFFAOYSA-N 301.324 -0.543 50 20 DBGD CN(NC(=O)CNS(=O)(=O)N(C)C)C(=O)OC(C)(C)C 854919132 VMKTXQBFDHIOFA-UHFFFAOYSA-N 310.376 -0.720 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cn1 861716296 QVVXFRNXTRRHSM-MXSUSHOISA-N 315.377 -0.005 50 20 DBGD C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862456299 OCXNEVKTZJDFPM-NSODJVPESA-N 319.361 -0.033 50 20 DBGD COC(=O)[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H]1C 863879862 FMDPSIYTCNCAAA-WPRPVWTQSA-N 309.102 -0.471 50 20 DBGD CCc1ccc(OCC(=O)NNC(=O)CS(C)(=O)=O)cc1 919679946 SOIYKJMGNIKNNJ-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCOc1ncccc1F 1116339199 WBMFPVQKXUVIAA-UHFFFAOYSA-N 300.246 -0.897 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)Cc2cc[nH]n2)c1C 1254695678 DBPPEEUMFGYPAI-UHFFFAOYSA-N 304.310 -0.876 50 20 DBGD C[C@@H](O)c1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1 1318091238 KRRRLNSEPSAETL-SECBINFHSA-N 320.349 -0.151 50 20 DBGD Cc1nc(NC(=O)NNC(=S)NCCCN(C)C)no1 1319962566 AXACCGBVWNYOMT-UHFFFAOYSA-N 301.376 -0.170 50 20 DBGD COc1cc(NC(=O)C(=O)NNc2nccc(OC)n2)ccn1 1323012226 YSLCHBFVESHJCC-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD CCC[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)S(N)(=O)=O 1328342561 MWWUPDGUMGNJEX-IWSPIJDZSA-N 307.372 -0.984 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CC1)S(=O)(=O)C1CCOCC1 1333551263 ZJJXCGXHDKJEHK-MRVPVSSYSA-N 304.368 -0.474 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1338771032 YARISILXXNLIAK-UHFFFAOYSA-N 313.317 -0.101 50 20 DBGD O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@H](B(O)O)C1 1348490579 SVSSZPDHAVTVLH-VIFPVBQESA-N 318.060 -0.058 50 20 DBGD CN(C)C(=O)OC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1351353482 QUEYLEMDPYVWNB-UHFFFAOYSA-N 324.341 -0.073 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@]2(C)C[C@@H](O)CN2)c1 1574152188 UGYJCRHIAVUYGH-MLGOLLRUSA-N 321.377 -0.057 50 20 DBGD Cc1csc(C(=O)NNC(=O)[C@@H](C)N2CCNCC2=O)c1 1579832641 QLKXEPWSBNOJOW-SECBINFHSA-N 310.379 -0.362 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC[C@H](n2cc(C(=O)O)nn2)C1 1590940362 YPLFXSKWRUKPQF-VIFPVBQESA-N 324.341 -0.974 50 20 DBGD COc1cc(CN2CC[C@@H](B(O)O)C2)ccc1-c1nn[nH]n1 1591526854 SSQJUCQVYJPMEX-SNVBAGLBSA-N 303.131 -0.076 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)O[C@@H]2CCN(CC(=O)O)C2=O)cn1 1594539097 UGVRWSKAOKGUBZ-LLMHMKPQSA-N 318.289 -0.444 50 20 DBGD O=C(NNC(=O)c1coc(-c2nn[nH]n2)c1)c1ccnnc1 1606853952 CCUCPMSHRNPNMU-UHFFFAOYSA-N 300.238 -0.676 50 20 DBGD CN1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)C1 1847568002 JHEDRJHDPOSMAQ-SRVKXCTJSA-N 315.801 -0.651 50 20 DBGD CO[C@H](C(=O)NNC(=O)N1CCN(C)CC1)c1cnn(C)c1 287994534 OFGLYWJCXWTIKO-NSHDSACASA-N 310.358 -0.904 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cnc2[nH]c(=O)[nH]c2c1 295326533 GXPSFWNKNOXRII-VIFPVBQESA-N 305.294 -0.419 50 20 DBGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)CO)CC1=O 373199785 CCJRAKZLDOZBSQ-SNVBAGLBSA-N 321.333 -0.504 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1nccnc1N 494641936 UQUFHCAXVYLDDH-UHFFFAOYSA-N 310.314 -0.656 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 496137220 ARXVZUSZFIMIPR-BKDNQFJXSA-N 321.289 -0.529 50 20 DBGD C[C@@H](CO)N1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584979925 KVFYSADKUCIJOE-NSHDSACASA-N 324.161 -0.966 50 20 DBGD CN1CC[C@@]2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 584995690 QEJJQGJRCVNWHM-INIZCTEOSA-N 302.183 -0.076 50 20 DBGD OB(O)c1ccc(CNCc2ccc(N3CCOCC3)nc2)o1 585017888 NMZFFONJAQOGIT-UHFFFAOYSA-N 317.154 -0.519 50 20 DBGD O=C1C[C@@H](NCc2ccc(B(O)O)o2)CN1c1ccccc1F 585043311 MMDHQQRCEDGXEX-SNVBAGLBSA-N 318.113 -0.006 50 20 DBGD Cc1cccn2cc(CC(=O)NNC(=O)C(=O)NC(C)C)nc12 726768150 NWEQIIBUAFOBQU-UHFFFAOYSA-N 317.349 -0.143 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 746510504 YOALNLDZRWDYMA-JUDLJHIGSA-N 301.368 -0.029 50 20 DBGD Cn1ccnc(NNC(=O)CN2Cc3ccccc3C2=O)c1=O 747937423 GUJJIRKJEOTALA-UHFFFAOYSA-N 313.317 -0.121 50 20 DBGD Cc1cnn(Cc2cc(C(=O)NNC(=O)c3cnn[nH]3)no2)c1 755865838 HNHVPIOCCQOBKZ-UHFFFAOYSA-N 316.281 -0.579 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C2CCCC2)nn1C 764300745 WSVNNTFZSQUTPE-UHFFFAOYSA-N 323.353 -0.190 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)C2(NC(N)=O)CC2)c1 767191511 CGENMPJUYRMLJZ-UHFFFAOYSA-N 322.321 -0.334 50 20 DBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)on1 768722618 ZFFATFCLJFXWCO-UHFFFAOYSA-N 319.277 -0.731 50 20 DBGD CCC(=O)NNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 775704590 CHQKHXSQPZLODH-JTQLQIEISA-N 319.321 0.000 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccnc(OC(C)C)c1 778713878 NNGYSCCXALEJGI-UHFFFAOYSA-N 324.337 -0.009 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccc2ccccc2n1 782713061 DDYLXAQJSLUFKA-UHFFFAOYSA-N 315.333 -0.118 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)(C)n1cncn1 794508610 PZMBRDJCULRIKH-QMMMGPOBSA-N 316.387 -0.557 50 20 DBGD CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)NNC(=O)c1ccccc1 794575837 GYCFCTTWMVXBCA-CHWSQXEVSA-N 318.377 -0.048 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Nc2nccn(C)c2=O)n1 797640095 GWDQLVIYPWZDFA-UHFFFAOYSA-N 302.294 -0.050 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)Nc1ccc(OC)cc1 802056076 CEMXIRTWYZSKFM-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD COc1cc(C(C)=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)on1 814814638 SJUPTFBXSSVZBM-MRVPVSSYSA-N 316.339 -0.107 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O 826131248 ODEVUBWZHZQMAP-RKDXNWHRSA-N 321.399 -0.435 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826403796 CRGPVPIWFMVNSG-UHFFFAOYSA-N 303.204 -0.092 50 20 DBGD NS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccnc(F)c2)C1 831916770 BSNCJVRYOHDDGI-QMMMGPOBSA-N 317.346 -0.421 50 20 DBGD CS(=O)(=O)N1CCN(CC(=O)NCC(Cl)Cl)CC1 837650501 WUVCBUQLEVFXIS-UHFFFAOYSA-N 318.226 -0.517 50 20 DBGD O=C(NCC(=O)N1CCNCC1)NNc1ccc(Cl)nc1 841921782 XNXHJGJASTYOKN-UHFFFAOYSA-N 312.761 -0.207 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(S(=O)(=O)NC)nc1 854922859 SXRGQTVFIFZHMH-UHFFFAOYSA-N 317.396 -0.929 50 20 DBGD CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1(C)C 858347949 JOQNPWCXQUIQGB-YKDSUIRESA-N 312.370 -0.345 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC(c3cn[nH]c3)CC2)N1 858694737 CGOUYWIHKZCKCE-NSHDSACASA-N 320.353 -0.392 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452107 JKJLCSDNFIHHCQ-PSASIEDQSA-N 310.354 -0.893 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 862461560 QFUUPHQIAKVUKK-XHDPSFHLSA-N 305.334 -0.290 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NN=c1cc[nH]c(C)c1 862513234 QBVHXJKLZOZBSZ-UHFFFAOYSA-N 316.383 -0.789 50 20 DBGD CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 863879434 SPEWATYLAYSITN-RKDXNWHRSA-N 311.118 -0.177 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@@H]2OCCN(C)C2=O)c1 907263491 HIUYGLXHXICPTO-NSHDSACASA-N 307.306 -0.227 50 20 DBGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(N)=O)n[nH]2)cc1 917178578 XQTQEAZBFBQCJU-UHFFFAOYSA-N 316.321 -0.186 50 20 DBGD O=C(NCCOC1CCCCC1)NNC(=O)C(=O)NC1CC1 918133888 QNTFKWXGZATTQW-UHFFFAOYSA-N 312.370 -0.055 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 1323453035 CQRYOEYIFHNCKZ-DTWKUNHWSA-N 314.342 -0.721 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1323943805 MMAPAVIKDUTEEP-UHFFFAOYSA-N 324.268 -0.540 50 20 DBGD C[C@]1(CNC(=O)C(=O)NCC2CNC2)C[C@@H]1Br 1328561095 LPJHSJSRRHCFHY-GZMMTYOYSA-N 304.188 -0.388 50 20 DBGD CC(C)OC[C@@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 1331536298 BMSBTTOJURMAQG-NSHDSACASA-N 311.342 -0.110 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C2CCC2)n1 1331807809 UYPLVXFEYLLKAC-JTQLQIEISA-N 305.338 -0.273 50 20 DBGD COCCOCC(=O)NNC(=O)c1cn(C2CC2)c(C)cc1=O 1332170606 OHAQLGAZTYZNRR-UHFFFAOYSA-N 323.349 -0.084 50 20 DBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NN(C)C[C@H](C)O)c2C1 1333348334 XLCIJXBAPUTAMF-CMPLNLGQSA-N 323.397 -0.461 50 20 DBGD COCCN(C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1347702696 VYACAXZJRHYGFD-SNVBAGLBSA-N 308.400 -0.422 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)C1=NO[C@]2(CCNC2)C1 1580573665 NDKPVHDEBVREDF-CQSZACIVSA-N 303.322 -0.720 50 20 DBGD NC(=O)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)co1 1592734444 KAIOFIQADCNHDM-UHFFFAOYSA-N 314.265 -0.290 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C(=O)O)C1CCCC1 1594017937 GJCYPYAPJCVOND-LLVKDONJSA-N 302.327 -0.312 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2COCCO2)c1 47954433 PIBISHFIVOECLF-GFCCVEGCSA-N 310.306 -0.120 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1[nH]ncc1C(=O)OCC 49152396 RRYSKCSPNPWTGQ-UHFFFAOYSA-N 305.316 -0.901 50 20 DBGD C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccc(Cl)c1 104691311 HSOFLUOWALEFGX-SECBINFHSA-N 324.768 -0.079 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2nccnc2Cl)c1=O 114895383 KWQZLCAUYFOCPE-UHFFFAOYSA-N 310.701 -0.866 50 20 DBGD Cc1nc2c(cc1C(=O)NNC(=O)CN(C)C)c(C)nn2C 265062041 LXMQTQAXTLZSQO-UHFFFAOYSA-N 304.354 -0.092 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 268247434 NYHNPLZBXRXZJQ-JTQLQIEISA-N 320.353 -0.190 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(C#N)cs1 273541789 XCDQYOBDASHQCL-ZCFIWIBFSA-N 316.364 -0.682 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 298331468 GNOBUJIDORNDJR-JOYOIKCWSA-N 319.317 -0.548 50 20 DBGD CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(B(O)O)c1 584939313 UMMXWWKOYZLXEM-GFCCVEGCSA-N 322.195 -0.640 50 20 DBGD O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(B(O)O)cc1 584939558 JWQDWGYYGNMBAQ-LLVKDONJSA-N 315.138 -0.148 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N1CCCCC1 584944515 QXEBDRPZUZWPBK-NSHDSACASA-N 304.155 -0.503 50 20 DBGD CCN1CCN(C[C@H](C)CNCc2ccccc2B(O)O)CC1 585021680 BSUHGTTZMHAGHD-OAHLLOKOSA-N 319.258 -0.270 50 20 DBGD O=C(Cc1cccc(F)c1)NCC(=O)N1CC[C@H](B(O)O)C1 585077611 SGXHFNGWGOCBKX-NSHDSACASA-N 308.118 -0.440 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 729283105 OGPGYLQCCVVPFN-MFKMUULPSA-N 305.334 -0.075 50 20 DBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNC(=O)c1ccc[nH]1 729617791 HAYRQXOPVMTSCL-WDEREUQCSA-N 307.354 -0.178 50 20 DBGD COCCN([C@H](C)C(N)=O)[C@H](C)C(=O)NNC(=O)CC(C)C 732201806 OHJKHMINVRRUNR-GHMZBOCLSA-N 316.402 -0.609 50 20 DBGD COC(=O)NNC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 733631046 CKGFOCAOMVJARR-UHFFFAOYSA-N 323.309 -0.316 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)Cc1cc[nH]n1 755280708 ABEZUFYIDBOSMP-VIFPVBQESA-N 307.354 -0.206 50 20 DBGD C=CCOc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 764294738 ACENBMYGPWRNAL-UHFFFAOYSA-N 307.306 -0.016 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1CCCCCC1=O 771853152 DFSCYUYWBRRFPP-SNVBAGLBSA-N 313.354 -0.122 50 20 DBGD COCC(=O)Nc1ccc(NC(=O)NNC(=O)CN(C)C)cc1 775477694 MYXVVOXCOPIQJB-UHFFFAOYSA-N 323.353 -0.014 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)OC)[nH]1 796365380 IRJWZVJYVPHOHR-ZETCQYMHSA-N 311.294 -0.096 50 20 DBGD Cc1nc2c(C(=O)NNC(=O)N3CCN(C)CC3)ccnc2[nH]1 807381187 HLAUZVQQBUGBBH-UHFFFAOYSA-N 317.353 -0.132 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1 820134350 ZDCQQGHWEJLUGF-UHFFFAOYSA-N 307.339 -0.097 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 822936452 UXWSYVJCUUIHFJ-UHFFFAOYSA-N 303.204 -0.092 50 20 DBGD COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)C1 830870926 FHKRHCZIWMXYNN-ZJUUUORDSA-N 315.370 -0.964 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1cccc(OC)n1 831876984 SQMPHQARERJAPY-MRVPVSSYSA-N 302.356 -0.139 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCOC[C@@H]2C(=O)O)cc1 832911782 MWSSVMBZHZBRHB-GFCCVEGCSA-N 321.333 -0.459 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1OC 847284814 RPEPNUSAGGNLKG-VHSXEESVSA-N 321.333 -0.024 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccc(CO)cc1 854291251 TTWYUKZEUJPGIO-UHFFFAOYSA-N 309.322 -0.770 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)N1 858300283 HCOILZVDWPVSPD-GWOFURMSSA-N 310.354 -0.447 50 20 DBGD CC[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](CC)O1 858702513 LUAJPLCRIXMCMI-OUAUKWLOSA-N 312.370 -0.105 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CC(=O)N(C)C2=O)nc1 860446542 UCVKMMIMNRFSFM-UHFFFAOYSA-N 321.293 -0.795 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCCCC1 862452159 JQMJEXUHTCMHDK-YPMHNXCESA-N 310.398 -0.077 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 910167443 LFUMHTZZCYEGFI-BBRMVZONSA-N 307.394 -0.033 50 20 DBGD CC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 913466320 XENMLVZKOOLBCD-LLVKDONJSA-N 307.285 -0.587 50 20 DBGD Cc1nnc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 919673747 JVKFPGUEBHWFKX-LURJTMIESA-N 319.368 -0.566 50 20 DBGD CNC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 919879634 WSWXLQHQPGUZQA-UHFFFAOYSA-N 314.367 -0.648 50 20 DBGD O=S(=O)(CCCCl)NCCN1CCC2(C1)OCCO2 920092798 GYECDLANKFWHRF-UHFFFAOYSA-N 312.819 -0.017 50 20 DBGD COc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)c(C)c1 929451193 XJJPRDJTPQIUCN-UHFFFAOYSA-N 305.334 -0.028 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1116599017 YJJJUZTUANJDCZ-UHFFFAOYSA-N 310.358 -0.813 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1CCCS1(=O)=O 1118185403 BMHSKGCSJQQMJP-LPEHRKFASA-N 319.383 -0.681 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1 1119310371 ZCHSHJHXIOKINJ-CYBMUJFWSA-N 316.365 -0.063 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnn(CC(F)F)c1 1255512990 LZIGIIOCGQBBRI-UHFFFAOYSA-N 318.284 -0.221 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CN(C)Cc2ccccc21 1319612410 XGQMBFKAGPHEBS-NSHDSACASA-N 306.322 -0.324 50 20 DBGD O=C(COCc1ccncc1)NNC(=O)C(=O)N1CCCC1 1324304954 ASYLXWJZQWMXEZ-UHFFFAOYSA-N 306.322 -0.632 50 20 DBGD N[C@@H]1CC[C@H](CC(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)C1 1580387762 UMHJDNWQAHRMGE-OUCADQQQSA-N 324.425 -0.095 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1589883325 ZIUKOEXNRKNRBI-QMMMGPOBSA-N 306.330 -0.983 50 20 DBGD CCOC(=O)C[C@@H](O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1590763363 LBAIUJYDOMKBPB-SNVBAGLBSA-N 320.309 -0.376 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2CC[C@@H](CCC(=O)O)O2)c1=O 1600981822 ZVVORJPTFJHGQN-DTWKUNHWSA-N 310.310 -0.364 50 20 DBGD O=C(Cc1ccc(C(=O)O)nc1)NNC(=O)c1cccnn1 1601358757 PWZJFNAUZSRBJI-UHFFFAOYSA-N 301.262 -0.427 50 20 DBGD O=C(NCc1ccnc(N2CCCC2)c1)NNC(=O)C(=O)O 1601545502 OHGXTLZZMMAHBL-UHFFFAOYSA-N 307.310 -0.403 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccsc1-c1nn[nH]n1 1606591171 JFVCLGAGAFHWMO-UHFFFAOYSA-N 318.322 -0.345 50 20 DBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)c2cccnn2)n1 1608786690 PBAYHVGVRNEXRR-UHFFFAOYSA-N 316.277 -0.035 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2nn[nH]n2)ccn1 1609557899 BQDUPVAWUCSBHF-SECBINFHSA-N 303.282 -0.798 50 20 DBGD Cc1nnc(NNC(=O)CNC(=O)C2CCCCC2)[nH]c1=O 11548481 BOHDGGDLXRCZLS-UHFFFAOYSA-N 308.342 -0.387 50 20 DBGD Cn1c(O)nc(=O)c2cc(C(=O)NNC(=O)C3CCC3)cnc21 264674847 HOIKLFMPVCLQPB-UHFFFAOYSA-N 317.305 -0.405 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-c2cnn(C)c2)nn1 278600828 AMELDIYHYLZDNV-UHFFFAOYSA-N 318.341 -0.409 50 20 DBGD O=C(CN1C[C@H](O)[C@@H](O)C1)NNC(=O)c1ccccc1Cl 278620502 FXBPRTIOQXJBEB-QWRGUYRKSA-N 313.741 -0.862 50 20 DBGD COC(=O)COCC(=O)NNC(=O)Cc1cn2ccccc2n1 289078157 DKHROYDHAQJFRI-UHFFFAOYSA-N 320.305 -0.786 50 20 DBGD C#CCO[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 295204928 PMIKXJLLRNWUSX-RWMBFGLXSA-N 311.382 -0.329 50 20 DBGD CCOCC(=O)NNC(=O)NC1CN(C(=O)OC(C)(C)C)C1 493009469 MLVKKNLHGWACGN-UHFFFAOYSA-N 316.358 -0.027 50 20 DBGD O=C(CN(C(=O)c1ccc(B(O)O)c(F)c1)C1CC1)NC1CC1 584939051 CUWNATKYAUCZBQ-UHFFFAOYSA-N 320.129 -0.611 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 584982185 LXXYHTIRCBRCKL-UONOGXRCSA-N 324.136 -0.236 50 20 DBGD CCN(CC)S(=O)(=O)CCNCc1ccccc1B(O)O 585023234 FJKCWAJPBYGKCV-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD OC[C@H](CNCc1ccc(B(O)O)cc1)CC1CCOCC1 585039145 OXKPEUYHKJMSFR-HNNXBMFYSA-N 307.199 -0.119 50 20 DBGD OC[C@@H](CNCc1ccc(B(O)O)cc1F)c1cccnc1 585040509 FZDSILSHSHAMFU-CYBMUJFWSA-N 304.130 -0.234 50 20 DBGD CSCCNC(=O)NNC(=O)CNC(=O)c1ccco1 726278928 OMDLMSACIAOGLG-UHFFFAOYSA-N 300.340 -0.297 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1nccnc1Cl 734261422 XAPBMWRNNXJKDC-ZETCQYMHSA-N 319.774 -0.003 50 20 DBGD CCc1[nH]c(C(=O)NNC(=O)c2cnn[nH]2)c(C)c1C(=O)O 737245187 XOQXQGZOYRGSTD-UHFFFAOYSA-N 306.282 -0.223 50 20 DBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)C1CC1 742471567 DWHKMURNBMUTPJ-LSKIRQOJSA-N 321.333 -0.904 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNc1ccc(F)cn1 743637526 MHKNVMCHKNCMRW-UHFFFAOYSA-N 320.346 -0.092 50 20 DBGD C#CCOCCNC(=O)NNC(=O)COc1ccccc1C#N 753379911 VWZMHKFGWJXLPW-UHFFFAOYSA-N 316.317 -0.083 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@@H]1CCNC1=O 759425141 UVUQPZPFCKKHQG-CYBMUJFWSA-N 318.377 -0.495 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@](F)(CO)C2)c1 802011440 BCJPWXKLCCVHKZ-OAHLLOKOSA-N 320.324 -0.274 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](c2nc(O)n[nH]2)C1 808776724 BHYOIKCBWPCQMM-VIFPVBQESA-N 324.385 -0.117 50 20 DBGD COCCC(COC)=NNC(=O)CNC(=O)c1cccnc1 812226901 WKTVMFZMVVUTCG-UHFFFAOYSA-N 308.338 -0.034 50 20 DBGD COc1ccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)cc1OC 814213076 WBRSWFOWNAZDMW-UHFFFAOYSA-N 320.261 -0.844 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 816809427 XNFQMVBYYFMMSP-ZJUUUORDSA-N 306.278 -0.133 50 20 DBGD C[C@H](CO)N(C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 823987407 HVRARNYFSHQFRA-STPAWDDFSA-N 307.350 -0.863 50 20 DBGD CCOC(=O)C[C@@H](NC(=O)NNC(=O)CO)C(F)(F)F 824762989 YZIMYFDMNKGFEU-RXMQYKEDSA-N 301.221 -0.807 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@H]1CCC(=O)N1 854385732 CYTSRQMLSWOCFP-SECBINFHSA-N 301.343 -0.408 50 20 DBGD CNC(=S)N(C)NC(=O)Cn1cnc2sccc2c1=O 854928044 MYDUQTVBITYGBS-UHFFFAOYSA-N 311.392 -0.075 50 20 DBGD CC1=C(C(=O)NNC(=O)c2cc[nH]n2)[C@@H](C)n2nnnc2N1C 855356122 MAULTQBUZPQGND-SSDOTTSWSA-N 317.313 -0.858 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1cc[nH]n1 855356983 WOHFGQDJYJVRTN-AWEZNQCLSA-N 319.321 -0.908 50 20 DBGD Cc1nc2c(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccnc2[nH]1 862459676 WXKDCZCRZYCGFQ-QMMMGPOBSA-N 302.294 -0.694 50 20 DBGD Cc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863411951 DJOANNNWGBILJQ-VIFPVBQESA-N 315.326 -0.278 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C 863413099 CNWPCIDIPHLTMC-LLVKDONJSA-N 311.363 -0.108 50 20 DBGD COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 864231234 KYLVPOJITCJGEJ-SNVBAGLBSA-N 313.140 -0.289 50 20 DBGD CN1CCN(C(C)(C)CNCc2ccc(B(O)O)cc2)CC1 876923081 CKUOOQLPDFQITQ-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD C/C(=C\C(=O)NNC(=O)N1CCOCC1)CN1CCOCC1 900426746 KPMOJMABKXEBGD-ZRDIBKRKSA-N 312.370 -0.662 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCC(=O)NC1CCCCC1 1116181576 AVTVRTWJUYNXLL-UHFFFAOYSA-N 314.342 -0.671 50 20 DBGD COCCn1cc(C(=O)NNC(=O)N2CCOCC2)ccc1=O 1318159600 BMZVPIDEHFZTQU-UHFFFAOYSA-N 324.337 -0.819 50 20 DBGD CNc1nnc(CC(=O)NNC(=O)Cc2cccnc2)s1 1321061578 XCQYXZKUVYLHFO-UHFFFAOYSA-N 306.351 -0.093 50 20 DBGD C=CCNC(=S)NNC(=O)c1coc(S(=O)(=O)NC)c1 1321298920 LDDUCQHXZZUDRY-UHFFFAOYSA-N 318.380 -0.517 50 20 DBGD Cc1nc2ncnn2c(C)c1CCC(=O)NNc1nc[nH]n1 1324554952 PPWGEQBMDAIUQA-UHFFFAOYSA-N 301.314 -0.065 50 20 DBGD CCOCC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1327031263 KCWLYBXMCUTDMV-VIFPVBQESA-N 304.368 -0.615 50 20 DBGD Cn1ccc(CCC(=O)NNC(=O)CNC(=O)c2ccco2)n1 1327817303 VMYUWNUIJBFEMW-UHFFFAOYSA-N 319.321 -0.477 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1NCCc2ccccc21 1328728225 IXSLKVQOLNXCSW-LLVKDONJSA-N 306.322 -0.623 50 20 DBGD COc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ncn1 1336495460 AZAAOBNVNLEPHU-SECBINFHSA-N 314.367 -0.409 50 20 DBGD C[C@]1(CNC(=O)CN2C(=O)CNC2=O)C[C@H]1Br 1348011026 MPOXPWVGWTYNSH-LHLIQPBNSA-N 304.144 -0.172 50 20 DBGD NC(=O)N1CCC(=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 1549315094 APQIYWVWQOACAY-RYUDHWBXSA-N 309.370 -0.504 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN[C@@H]([C@H]2CCCO2)C1)c1ncccn1 1580736172 NBNHRZSEZLGLIA-IJLUTSLNSA-N 319.365 -0.215 50 20 DBGD CC(C)(O)C(=O)NNC(=O)/C=C/c1ccccc1-c1nn[nH]n1 1589326462 FVPRMPKOYXBHRH-BQYQJAHWSA-N 316.321 -0.202 50 20 DBGD O=C(CCn1cnccc1=O)NNc1ncccc1C(=O)O 1594691168 FDMXWEIMBVTLHJ-UHFFFAOYSA-N 303.278 -0.130 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)O)cc1 1599143555 XHNOPWBEEIKDBA-UHFFFAOYSA-N 309.278 -0.954 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C(=O)O)n2C)n1 1600179045 RYDSYSYBCTWNIP-UHFFFAOYSA-N 319.321 -0.002 50 20 DBGD O=C(C[C@@H]1CCC(=O)N1)NNc1ccc(-c2nn[nH]n2)cn1 1606497136 SOXYFORJYYGWOW-QMMMGPOBSA-N 302.298 -0.627 50 20 DBGD COC[C@@](C)(NCC(=O)NNC(=O)c1cccc(C)c1)C(=O)O 1606790603 BDGKZQQWIWWJKF-OAHLLOKOSA-N 323.349 -0.165 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)NCc2ccco2)O[C@H]1C(=O)O 1607442838 UTVAMVMOHUOPLW-SZEHBUNVSA-N 311.294 -0.012 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)C34CC(C(=O)O)(C3)C4)nc21 1610615246 FYYMFVUKTLLLFY-UHFFFAOYSA-N 318.293 -0.233 50 20 DBGD O=C(NN=Cc1c(C(=O)O)ccc2c1OCO2)C(=O)NC1CC1 1776027173 FCBINQOMLHJAHL-UHFFFAOYSA-N 319.273 -0.158 50 20 DBGD C[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1801951280 AZIQQMGKRBJJFY-NZFPMDFQSA-N 304.774 -0.395 50 20 DBGD C[C@H](CN)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558190 IPAMBCHHZOLMKL-RCWTZXSCSA-N 303.790 -0.617 50 20 DBGD CCOC(=O)NNC(=O)Cc1c(C)nc2nc(N)nn2c1C 53576420 SNIRISFOYDZHPN-UHFFFAOYSA-N 307.314 -0.357 50 20 DBGD Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)CO)c12 180953497 KITXTWAHFGBHTQ-UHFFFAOYSA-N 303.322 -0.093 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1ccc(C)cc1=O 278031115 RAUQRBWMXPUHFF-UHFFFAOYSA-N 322.365 -0.391 50 20 DBGD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584939070 KVWKVBQERIJCMQ-DTWKUNHWSA-N 310.134 -0.462 50 20 DBGD C[C@H](NCc1ccc(B(O)O)o1)C(=O)NCc1ccccc1 585018033 FSQMRTAKITXZPM-NSHDSACASA-N 302.139 -0.246 50 20 DBGD O=C(Cc1nc(-c2cccc(B(O)O)c2)no1)NCC1CC1 585054111 RZOWEQPZZFODPD-UHFFFAOYSA-N 301.111 -0.515 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1 739129212 RJCKORCXTOXEED-GHMZBOCLSA-N 303.274 -0.195 50 20 DBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)N1CCOCC1 746520069 RHNLXGWLHIPUPX-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCSC[C@H]1CC(=O)OC 747659797 SQZXXKBJFPFUEU-VHSXEESVSA-N 317.411 -0.087 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CN1C1CC1 753944755 LKGKOKPAIPIDCG-GHMZBOCLSA-N 323.397 -0.436 50 20 DBGD C[C@@H](CBr)COC(=O)CN1C(=O)C(=O)N(C)C1=O 770371585 ARKDWFUSRSHLJT-LURJTMIESA-N 321.127 -0.019 50 20 DBGD COCC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccco1 780890015 TVYLHIQUNFNREY-SNVBAGLBSA-N 324.337 -0.034 50 20 DBGD CN(C)C(=O)Cn1cc(NC(=O)NN=c2cc[nH]cc2)cn1 782048170 YLGPHJMYUPCDQK-UHFFFAOYSA-N 303.326 -0.063 50 20 DBGD N=C1NC(=O)[C@@H](CC(=O)NNc2nc3ccccn3n2)S1 791255386 AUDUQGKCHBQENF-ZCFIWIBFSA-N 305.323 -0.271 50 20 DBGD CC(=O)NNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 792011681 KTZOMCCXSHPFGK-LLVKDONJSA-N 321.255 -0.215 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CCNS(C)(=O)=O)n1 794079791 BZNBASGZLNDSFN-UHFFFAOYSA-N 300.340 -0.910 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)c2ccccc2F)c1=O 814714969 WLFAHYDXWUIVNH-UHFFFAOYSA-N 307.285 -0.428 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 816831153 IIXQLSZLDPOLCN-UWVGGRQHSA-N 319.317 -0.270 50 20 DBGD CCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(C)C 826863539 ZWUPZSFSBAPPPT-DCAQKATOSA-N 314.386 -0.098 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@H](O)C1CCOCC1 827298425 IPYFWOVBXRMXEE-DLOVCJGASA-N 315.370 -0.471 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nc(N(C)C)no1 843970947 NKEMCAKQIXALBJ-RKDXNWHRSA-N 311.342 -0.359 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)CN1CCOCC1 858282695 OZZKEGSFVZWHEJ-SNVBAGLBSA-N 310.358 -0.678 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@@H]2C2CCOCC2)N1 858696777 NZCDCXBRAIFCOG-VXGBXAGGSA-N 324.381 -0.103 50 20 DBGD COc1cccc(COCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862450864 COYUVZIZRVMCML-GFCCVEGCSA-N 321.333 -0.362 50 20 DBGD O=C(CN1CCc2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 862453345 UAVFWNRJQAPCHK-NSHDSACASA-N 302.334 -0.525 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863459920 JJEJQVQYOOIRDD-UHFFFAOYSA-N 314.319 -0.721 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCCc2nn(C)cc21 869906387 UQJSBOGNCQBSNQ-JTQLQIEISA-N 310.354 -0.350 50 20 DBGD C[C@]1(C(=O)N2CCN(C(=O)CO)CC2)C[C@H]1Br 907147306 VAPSMTYYTQGYBX-KCJUWKMLSA-N 305.172 -0.177 50 20 DBGD CO[C@@]1(C(=O)NNC(=O)CN2CCCC2=O)CCSC1 913728898 BTJOPBWXHDFHOU-LBPRGKRZSA-N 301.368 -0.722 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)CNC(=O)C2CC2)cc1 914857643 MZUIVGVEJHMGHQ-UHFFFAOYSA-N 320.349 -0.219 50 20 DBGD O=C1NC(=O)C2(CCC(=NNC(=O)N3CCOCC3)CC2)N1 1116392355 VGHXUZIGVWZESQ-UHFFFAOYSA-N 309.326 -0.464 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nnnn1CC1CC1 1118126654 SQPNKJGSTPQEGE-WPRPVWTQSA-N 323.357 -0.662 50 20 DBGD O=C(NNC(=O)N1CCN(c2ccncc2)CC1)c1cn[nH]c1 1118864931 UUYXRKZKZMZKSH-UHFFFAOYSA-N 315.337 -0.019 50 20 DBGD C=CCN1CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1261789671 LRKPDRRMCNTDFV-LLVKDONJSA-N 309.370 -0.754 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 1318220912 KKZBKAMTZCEQJM-UHFFFAOYSA-N 304.306 -0.831 50 20 DBGD CN1CCC(NC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 1319019688 ANHSJWKFHPZNRI-UHFFFAOYSA-N 323.353 -0.566 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1nc(C)c(C)s1 1319175008 RVQPTIJHAKFXBE-UHFFFAOYSA-N 300.340 -0.194 50 20 DBGD Cc1cc(C)c(C(=O)NNC(=O)C(=O)N2CCCC2)c(O)n1 1319271970 HXOANYUGAQFHBH-UHFFFAOYSA-N 306.322 -0.213 50 20 DBGD C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N1C(=O)CCC1=O 1321307716 UQZUBVVQBAQMDZ-QMMMGPOBSA-N 305.294 -0.806 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1COC2(CCCC2)O1 1337192336 NFISKRNDNCQGJZ-QMMMGPOBSA-N 301.299 -0.825 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(OC2COC2)cc1 1338569659 BFLAJHYJDWVTAD-UHFFFAOYSA-N 319.317 -0.040 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(-c2nncn2C)c1 1342638083 SWSZMHZFQFBSQI-UHFFFAOYSA-N 318.293 -0.192 50 20 DBGD NCCNC(=O)NNC(=O)CCCOc1ccc2c(c1)OCO2 1580311030 CIVXDZDOGPLMEN-UHFFFAOYSA-N 324.337 -0.137 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(-c2nn[nH]n2)o1 1593157850 HKJMGZFLKMHIFE-GJMOJQLCSA-N 318.293 -0.212 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)Nc1ccccc1C(=O)O 1594782894 LXEWFRGDFPFDLH-SNVBAGLBSA-N 309.278 -0.047 50 20 DBGD CN(C(=O)c1ccc(B(O)O)cc1)c1cccc(-c2nn[nH]n2)c1 1604657792 DFOICLNBIVWRLR-UHFFFAOYSA-N 323.121 -0.177 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCSCC(=O)O)CC1 1610135736 SXVHQSLISKMCMK-UHFFFAOYSA-N 304.372 -0.818 50 20 DBGD CC[C@@H](NC)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350472 DXUNULUEYDSZNY-MNOVXSKESA-N 317.817 -0.213 50 20 DBGD Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)C(=O)NC2CC2)c1 266008035 GSSCUGDUZFOEMQ-UHFFFAOYSA-N 306.278 -0.057 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN1C(N)=O 267008875 MNXHPRPSATXDIQ-JTQLQIEISA-N 306.322 -0.001 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2CN(C)CCO2)c1 267995073 LOOJKIQRTHABPQ-ZDUSSCGKSA-N 322.365 -0.415 50 20 DBGD CSCCNC(=S)NNC(=O)C1=NN(C)C(=O)CC1 271215253 BQUOTIAOBJLWSG-UHFFFAOYSA-N 303.413 -0.547 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 276254390 MMUNCGZLTKTFSZ-RITPCOANSA-N 311.260 -0.638 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1cccc(Cl)n1 292812552 WKBOWVWDAMQPQB-UHFFFAOYSA-N 312.717 -0.087 50 20 DBGD CO[C@@H](Cc1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 294424070 NKYVCRIWKATLNO-LBPRGKRZSA-N 307.350 -0.084 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 495755514 WFNRBWIFYCMYNG-UHFFFAOYSA-N 306.278 -0.289 50 20 DBGD CN(Cc1ncnn1CC(F)F)C(=O)c1ccc(B(O)O)cc1 584984471 ZCZGWBZOBWTJNQ-UHFFFAOYSA-N 324.096 -0.505 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccn(C)n2)C[C@@H](C)O1 732261654 FGNSMQGVVGXEBM-GHMZBOCLSA-N 309.370 -0.320 50 20 DBGD C[C@@H](C(=O)NNC(=O)N1CCOCC1)N1CCSCC1 750856947 OEMDQOLDIVORCY-JTQLQIEISA-N 302.400 -0.503 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C(=O)NCC2CC2)nc1C 788526765 ZUJTYSLEGMFLGG-UHFFFAOYSA-N 321.337 -0.069 50 20 DBGD O=C(CN1CC[C@@H](CO)[C@@H](O)C1)NNC(=O)c1cccs1 808751869 NPKVYFOCTJXWOM-UWVGGRQHSA-N 313.379 -0.816 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cccc(CC(=O)OC)c1 811683121 NRNAKXSYIHUXSQ-UHFFFAOYSA-N 315.351 -0.086 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N1CCO[C@H](C(=O)O)C1 818626472 PDJVZCRYWNLYKJ-NSHDSACASA-N 323.305 -0.165 50 20 DBGD CN(NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CC1 819643682 JYPHQWXKTRGYAW-UHFFFAOYSA-N 303.322 -0.629 50 20 DBGD CN(NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 819648957 YWCALDFJPZLYGW-WFFHOREQSA-N 307.350 -0.336 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CSCC(=O)N1)C1CC1 824445807 AQLOYYRSYIUSDQ-XPUUQOCRSA-N 302.425 -0.488 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 825466318 ZBDOFDVQHNFFRU-UHFFFAOYSA-N 317.309 -0.846 50 20 DBGD C=CCn1cc(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 826992796 FJKTWYSBFKBDLX-ONGXEEELSA-N 308.342 -0.281 50 20 DBGD C[C@@]1(NNC(=O)NCCCCCCN)CCS(=O)(=O)C1 831251844 CYCPZOMXXGQKJF-GFCCVEGCSA-N 306.432 -0.114 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 846388959 UKHDESFVQGEBKU-NQMVMOMDSA-N 321.293 -0.100 50 20 DBGD CN1CCC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1=O 852193590 SMCKHDVXLPNSNP-SECBINFHSA-N 309.301 -0.215 50 20 DBGD COc1cccc([C@H](OC)C(=O)NNC(=O)C(=O)NC2CC2)c1 854291629 HFYTZIWKGMDNMC-LBPRGKRZSA-N 321.333 -0.191 50 20 DBGD COCCN(C)NC(=O)CNS(=O)(=O)c1ccccc1N 854413801 SUSMEPKSVNCHRL-UHFFFAOYSA-N 316.383 -0.844 50 20 DBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1C 858174485 RKZJCVGRQNJUJW-NZHYYXIDSA-N 318.395 -0.372 50 20 DBGD CC(C)(C)C[C@H](CO)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858694965 CZENTXBMQNRWPU-RKDXNWHRSA-N 300.359 -0.608 50 20 DBGD CON(C)C(=O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863882059 HRJXKZNNYXRXKR-UHFFFAOYSA-N 320.154 -0.762 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc([S@@](C)=O)cc1 869912880 PYACOYOONMLSTR-OAQYLSRUSA-N 314.363 -0.152 50 20 DBGD CO[C@@H]1CN(CC(=O)NNC(=O)Cc2ccccc2C)CCO1 878970403 PBWSEMAUQCUMEX-INIZCTEOSA-N 321.377 -0.010 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)c1ccccn1 920120526 AAIDYTZCEMTAAQ-UHFFFAOYSA-N 305.294 -0.825 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCN(C)CC(F)(F)F 1116187515 PPVYUXOJHPMSLJ-UHFFFAOYSA-N 314.264 -0.626 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1nc[nH]c1C(F)(F)F 1118545142 IWKFMXUJRJTKCH-UHFFFAOYSA-N 307.232 -0.286 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F 1321152383 RSRNREHRHAZNAJ-UHFFFAOYSA-N 305.212 -0.428 50 20 DBGD Cn1c(NNC(=O)Cn2cnc(C#N)n2)nc2ccccc2c1=O 1324086561 GTVINYNRNKUNDR-UHFFFAOYSA-N 324.304 -0.460 50 20 DBGD O=C1CC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)CN1 1330354966 UENOCCFGFRWUJH-UHFFFAOYSA-N 302.139 -0.891 50 20 DBGD CN1C(=O)c2ccc(C(=O)NNc3cnnn3C)cc2C1=O 1330422852 FRTGDBLENZTEIK-UHFFFAOYSA-N 300.278 -0.202 50 20 DBGD Cc1nn(CCC(=O)N2CC[C@@H](B(O)O)C2)c(C)c1[N+](=O)[O-] 1331825602 DBVHBTSQOPLGLE-SNVBAGLBSA-N 310.119 -0.126 50 20 DBGD O=C(NNC(=O)C1CC2(CC2)C1)N[C@@H]1CCS(=O)(=O)C1 1347381356 SGAWDPPHLIBAGX-SECBINFHSA-N 301.368 -0.306 50 20 DBGD CN1CCC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1=O 1604856552 RTMCMTDAXSVDBA-VIFPVBQESA-N 316.325 -0.427 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@]2(C(=O)O)C[C@H]3CC[C@H]2C3)nn1 1605481297 QNHRDZRSHJVFHW-UPFKWVMWSA-N 307.310 -0.533 50 20 DBGD Cc1ccc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cnn[nH]1 1605792122 GDXZYRZVEHGABI-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD C[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847449909 GIVGFYQMXFVIOD-CSMHCCOUSA-N 321.171 -0.718 50 20 DBGD COC(=O)NNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 12607288 TVHACSCDGZERKM-UHFFFAOYSA-N 306.278 -0.533 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)NCC1CC1 139347536 LDJFNJXSFLMCJL-UHFFFAOYSA-N 304.310 -0.764 50 20 DBGD NC(=O)c1ccc(S(=O)(=O)NNC(=O)NCC2CC2)cc1 145085052 YUFKGWIKAZYCJV-UHFFFAOYSA-N 312.351 -0.312 50 20 DBGD CCNC(=O)CN(CC)C(=O)NNC(=O)Cc1cccnc1 264073733 BSTKRHPBDLXWPB-UHFFFAOYSA-N 307.354 -0.177 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2cnccn2)C1 265218106 WPMSUCXQVYQUDE-SNVBAGLBSA-N 313.383 -0.019 50 20 DBGD CC(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 268979666 QVFSXCTZIWEOLT-UHFFFAOYSA-N 319.365 -0.322 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccn1 272432671 LOBAQPLUXFNQRN-LDYMZIIASA-N 306.322 -0.882 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCn1cnc2ccccc2c1=O 276335754 ZAXZCRDCJSPQCK-UHFFFAOYSA-N 318.333 -0.295 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 370155685 IJHXVVJQKLMABX-VIFPVBQESA-N 324.341 -0.871 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCCn2ncnn2)cc(C#N)n1C 490752450 BWKFLVZRWPKGKX-XGICHPGQSA-N 310.321 -0.085 50 20 DBGD O=C(NCCCCN1CCC[C@H]1CO)c1cccc(B(O)O)c1 584964136 HWVCSHQOLYPPDY-HNNXBMFYSA-N 320.198 -0.667 50 20 DBGD O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(B(O)O)cc1 584987901 XHJBQXMMLWOHFR-OLZOCXBDSA-N 302.139 -0.750 50 20 DBGD CCCN1C[C@@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585047879 HLNAGGVPUHYDED-LLVKDONJSA-N 308.162 -0.146 50 20 DBGD NNC(=O)CNS(=O)(=O)c1cccc(Br)c1 731450855 PRDJYIUGHLHDFO-UHFFFAOYSA-N 308.157 -0.283 50 20 DBGD O=C(O)CSCC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 740485688 WTZYCIUNFZUYNM-SNVBAGLBSA-N 310.331 -0.045 50 20 DBGD CCN(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 750905447 QBKBUMRRDBCYME-UHFFFAOYSA-N 305.338 -0.348 50 20 DBGD CCOCCNC(=S)NNC(=O)[C@H](C)CN1CCOCC1 750980182 IGQWMPVLNPIJTO-LLVKDONJSA-N 318.443 -0.514 50 20 DBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCOC1 752127851 WWZDOJTWQLPEIS-JTQLQIEISA-N 317.309 -0.605 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)C2CCC2)c([N+](=O)[O-])n1 756938692 KUKDLRLSOCFAEQ-UHFFFAOYSA-N 317.327 -0.079 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H]2CNC[C@@H]2C1 766859044 SNVSTDDIYVTNAQ-GASCZTMLSA-N 316.405 -0.164 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@@H](O)[C@H](C)C1 768772106 YJCARBYLIGBBBV-TZMCWYRMSA-N 305.378 -0.002 50 20 DBGD CCN(CC)Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 787896560 RSRLEBYDWTVABB-UHFFFAOYSA-N 322.365 -0.393 50 20 DBGD O=C1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCN1 826478607 GPBBVQPQCIQURW-SECBINFHSA-N 301.310 -0.164 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1C[C@H]1C(=O)O 833179292 OEQOSDYUYPPVHL-DTWKUNHWSA-N 307.310 -0.523 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1ncccn1)n1nnnc1C(C)(C)C 841446638 WFOVMSJQJVABTP-QMMMGPOBSA-N 318.341 -0.217 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842588865 FEMUFVOPFOZPDT-DTWKUNHWSA-N 322.383 -0.439 50 20 DBGD COC(=O)CSCCC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843650922 IROSQSUINMYOTM-IUCAKERBSA-N 304.368 -0.145 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)N1CCOCC1)CC2 845337337 TYDBJZRFGBAPCH-NSHDSACASA-N 307.354 -0.173 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cncnc1C 848402922 KGFJOEOTVOGFEE-SNVBAGLBSA-N 311.367 -0.005 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CNC(=O)C1CC1 854280308 PXYHRGBRNVLIBM-UHFFFAOYSA-N 302.400 -0.613 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)CS(C)(=O)=O)c(C)c1C=O 863468393 XVDPSAAATXRPOM-UHFFFAOYSA-N 301.324 -0.750 50 20 DBGD CCNC(=O)NNC(=O)Cn1ccc(Br)cc1=O 865016018 SSJXOGKGUZFZFR-UHFFFAOYSA-N 317.143 -0.039 50 20 DBGD CC[C@H]1COCCN1CCNC(=O)c1cc(B(O)O)ccc1F 874710643 RGIZMHGPTAPTEM-LBPRGKRZSA-N 324.161 -0.654 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1cccc[n+]1[O-] 1116186397 DDDAPOIPDWDFKF-UHFFFAOYSA-N 311.301 -0.029 50 20 DBGD Cc1nnc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1 1117702610 GAWMUMIQWJUBJP-NSHDSACASA-N 318.289 -0.092 50 20 DBGD NC(=O)C1(C(=O)NNc2nccc(N3CCOCC3)n2)CC1 1253041946 YZQOTWUWEXMIET-UHFFFAOYSA-N 306.326 -0.978 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ncn(C)n1 1320516706 UWTTXVPSSCYEBT-VIFPVBQESA-N 303.326 -0.156 50 20 DBGD O=C(NC[C@H]1CCSC1)NNC(=O)C(=O)N1CCCC1 1320990779 KUVXVAKHOCPNLS-SECBINFHSA-N 300.384 -0.308 50 20 DBGD C[C@H](Cc1ccncc1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331521899 UNMHNXCHZRYVMV-MWLCHTKSSA-N 305.338 -0.378 50 20 DBGD COCCNCC(=O)NNC(=O)COc1ccccc1OC 1579045282 MEHCRSCAJOQCSJ-UHFFFAOYSA-N 311.338 -0.543 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)c1cnccc1-c1nn[nH]n1 1592805586 KIYDRGNDDYALHK-UHFFFAOYSA-N 315.215 -0.025 50 20 DBGD O=C(NNC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)[C@@H]1COCCO1 1594779785 WPZWTXJFZMLAOH-QSDJMHMYSA-N 312.322 -0.560 50 20 DBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ncccn2)CO1 1595005325 NPRNOEZYTLKWHR-BDAKNGLRSA-N 308.294 -0.493 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)O)c1 1601330180 PBVSCXARCVTWSC-UHFFFAOYSA-N 315.669 -0.884 50 20 DBGD C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362678 HOFFQSZVOLQHSO-KAMPLNKDSA-N 321.780 -0.295 50 20 DBGD O=C(Cn1cnc2ccccc2c1=O)NNC(=O)[C@H]1CCCO1 66237058 DYZPHNHDKZMFCN-GFCCVEGCSA-N 316.317 -0.277 50 20 DBGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cnn1C 160499719 WTIZVBVPZSAFDJ-QWRGUYRKSA-N 323.397 -0.011 50 20 DBGD NNC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 270257984 WUXUVVPJRAEJFZ-ZZXKWVIFSA-N 311.363 -0.289 50 20 DBGD CCOC(=O)NCC(=O)NNc1ccc(-n2ccnc2)nn1 278606743 LLGIRVJBSRBINY-UHFFFAOYSA-N 305.298 -0.149 50 20 DBGD O=C(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)NNC(=O)c1ccc(F)cc1 366442905 QBJBLWQZQWYVMH-ITGUQSILSA-N 307.325 -0.243 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCC(S(=O)(=O)NC)CC1 491177427 WQRXACDPAQAFTF-MDZDMXLPSA-N 301.368 -0.029 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)CCN2CCOC2=O)n1 495517502 ZYEPHQWBGVGFMJ-UHFFFAOYSA-N 300.706 -0.002 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@H]1c1nc[nH]n1 584969023 INKKZSLUQCYVPL-LBPRGKRZSA-N 318.117 -0.009 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@H]1[C@@H]1CCCO1 584988565 PZNXEIGSDVYOHY-KBPBESRZSA-N 323.129 -0.475 50 20 DBGD O=C(NCc1cc2n(n1)CCCO2)c1ccc(B(O)O)c(F)c1 584994082 XELVIXHUWOTCIQ-UHFFFAOYSA-N 319.101 -0.586 50 20 DBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H](CO)O1 585001208 SSHORLZUJVTHBM-JTQLQIEISA-N 311.118 -0.883 50 20 DBGD C[C@@H](C(=O)N1CC[C@@H](B(O)O)C1)n1nnc(-c2ccccc2)n1 585068004 XTULQBMQUPDOBX-CMPLNLGQSA-N 315.142 -0.024 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCCCCl 696857934 XZICVPJQGUZYGJ-IUCAKERBSA-N 319.832 -0.263 50 20 DBGD C[C@@H](NC(=O)NNC(=O)COc1ccccc1O)C(=O)N(C)C 730823082 PNZACLPJBCHHGQ-SECBINFHSA-N 324.337 -0.422 50 20 DBGD Cn1cc(C(=O)NNC(=O)CSc2nnnn2C2CC2)cn1 735446417 WFXQFZPEJLNKRV-UHFFFAOYSA-N 322.354 -0.705 50 20 DBGD N#Cc1ccc(NCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748343622 PVSYJENHDHTMOD-UHFFFAOYSA-N 315.333 -0.260 50 20 DBGD C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)O1 758050248 AGZUBKSJTOYBJZ-BBBLOLIVSA-N 321.399 -0.581 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@]1(CO)CCOC1 763885401 KXWDFJDELFRPPK-RISCZKNCSA-N 301.387 -0.348 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](O)c1cccc(F)c1 772565094 DCEAVCYLUNJUTE-LLVKDONJSA-N 311.313 -0.079 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NNC(=O)c1cccc(F)n1 783566400 AVFRVZRWWWFQPC-SNVBAGLBSA-N 310.329 -0.050 50 20 DBGD O=C(NNC(=O)c1cccc2nn[nH]c12)C(=O)N1CCCC1 783593325 WRTFNPLKKJESEY-UHFFFAOYSA-N 302.294 -0.659 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCC(=O)c1cnn(C)c1 796149944 DHKKKIZBHSKHGE-VIFPVBQESA-N 324.337 -0.128 50 20 DBGD C=CCNC(=S)NNC(=O)CNC(=O)c1cccc(O)c1 798304573 BFALVZAAPRSVOV-UHFFFAOYSA-N 308.363 -0.197 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)c2cnnn2C)cc1 799098417 HTIFMNOAZVUSNC-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD COC(=O)CNC(=O)NN=C1CCN(CC(C)(C)O)CC1 814226995 OYHJZHRZLLZLNO-UHFFFAOYSA-N 300.359 -0.319 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCC(=O)O 819921302 FREHEXLWWACBDI-UHFFFAOYSA-N 304.303 -0.684 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NN(C)[C@H](C)CO)c1 823946915 PKOJVJVETBTULB-LLVKDONJSA-N 309.366 -0.302 50 20 DBGD C[C@@H]1NC(C(=O)NN(C)[C@H](C)CO)=NN(c2ccccc2)C1=O 823977306 UDDTZWZPVRZNBW-MNOVXSKESA-N 319.365 -0.331 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 843646645 JSCRAPGCVMLDBH-WPRPVWTQSA-N 324.293 -0.671 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccccc1 843976087 PSYTUCBSUNTOQK-PWSUYJOCSA-N 305.334 -0.011 50 20 DBGD COc1cncc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 853291804 JJVZBPYAZODDQC-JTQLQIEISA-N 312.351 -0.090 50 20 DBGD Cc1cc(F)ccc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863413392 HHFRDVPDODMLOP-VIFPVBQESA-N 315.326 -0.278 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1OCCc2ccccc21 863464165 ITJOVCUYAAIMGI-LBPRGKRZSA-N 312.347 -0.508 50 20 DBGD COCCS(=O)(=O)CCCOc1ccc(B(O)O)cc1 863865792 LNTJIXAZWUWODB-UHFFFAOYSA-N 302.157 -0.804 50 20 DBGD C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1118122647 BVEPJQBGSJNVNL-KKOKHZNYSA-N 315.370 -0.064 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C(=O)NC2CC2)C1 1319536422 XWRICMZNEODJAX-WDEREUQCSA-N 310.398 -0.077 50 20 DBGD CCOC(Cn1cc(C(=O)NN(C)C(N)=O)nn1)OCC 1320143729 UNNTZPFQLGZERA-UHFFFAOYSA-N 300.319 -0.668 50 20 DBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)COC)c1C 1320231757 BPYABQCXSAHWND-UHFFFAOYSA-N 322.321 -0.913 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1nncc(N)c1Cl 1346438039 WXZHUIWBTYJFLR-IONNQARKSA-N 311.777 -0.456 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NC[C@H]1CCCS1(=O)=O 1348057822 IIBKDFINNHSWFO-ZCFIWIBFSA-N 317.289 -0.154 50 20 DBGD CCc1nn(C)c(Cl)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348478600 MMVVXDQDIRZTSA-ZETCQYMHSA-N 313.745 -0.325 50 20 DBGD C[C@@H](CO)N(C)NC(=O)COc1cccc(-c2nn[nH]n2)c1 1589882461 NITYNIRNXKFYAG-VIFPVBQESA-N 306.326 -0.411 50 20 DBGD C[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCNC1=O 1590068160 CPULNKDPJVPUPD-ZDUSSCGKSA-N 301.310 -0.164 50 20 DBGD COc1cccc([C@@H](CNC(=O)NNC(=O)C(=O)O)OC)c1 1599658696 VTTLOHVFHJGWCS-SNVBAGLBSA-N 311.294 -0.202 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCO[C@H]1C(=O)O 1601370417 ZLIPHZPNUKXXSK-ZYHUDNBSSA-N 322.321 -0.556 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)NCCC(=O)NCCC(=O)O)cn1 1608110029 PDMWFJAJVQRZTG-WDZFZDKYSA-N 319.321 -0.576 50 20 DBGD CC(C)COc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1609700498 YHAAGMOLTIEAOZ-UHFFFAOYSA-N 323.305 -0.108 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccoc2CC(=O)O)CC1 1610133064 IARDMFCAGAJGOJ-UHFFFAOYSA-N 310.310 -0.492 50 20 DBGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CN)C1 1842878284 OAYYVOJWUNJMCM-QMMMGPOBSA-N 304.188 -0.068 50 20 DBGD O=C(c1cncnc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556829 QABVAVJKTXWGGW-SRVKXCTJSA-N 324.768 -0.108 50 20 DBGD O=C(c1ccncn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847560361 SBYNWJFQJXPSOD-SRVKXCTJSA-N 324.768 -0.108 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)COc1ccccc1F 54039471 CJAXNNDRZWCHOR-UHFFFAOYSA-N 312.301 -0.329 50 20 DBGD CO[C@H](C)CCC(=O)NNC(=O)CNC(=O)c1cccnc1 272862739 SRSRNCGOGALVKK-SNVBAGLBSA-N 308.338 -0.226 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H](C)[C@@H](C)C(=O)NN(C)C(=O)OC 286462398 TXYHIMGUJWPBQB-OCAPTIKFSA-N 318.330 -0.283 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNc2cc(Cl)nc(N)n2)O1 290466577 QGGZWUJCSPLDCJ-NTSWFWBYSA-N 315.717 -0.124 50 20 DBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cn2cnnn2)c1C 298227664 WSUJGTKTDYYALS-LLVKDONJSA-N 318.337 -0.095 50 20 DBGD COC(=O)N(C)CC(=O)NNc1nccc(N2CCOCC2)n1 493669852 JIHHBXAJPCXHEL-UHFFFAOYSA-N 324.341 -0.546 50 20 DBGD CC[C@@H](CCNC(=O)c1cccc(B(O)O)c1)N1CCCC1=O 584939185 GQPHWRSERPKKKJ-AWEZNQCLSA-N 318.182 -0.113 50 20 DBGD CCCC[C@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)cc1 584960672 MMSFGTFWIHNZPI-ZDUSSCGKSA-N 304.155 -0.503 50 20 DBGD CCC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nn[nH]n1 584961224 RRMYEXQERXASPP-SNVBAGLBSA-N 307.094 -0.710 50 20 DBGD O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(B(O)O)cc1 584965132 MREOKIPWVHKXMQ-CQSZACIVSA-N 311.150 -0.230 50 20 DBGD O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(B(O)O)cc1 584972399 VVQBWNXGAWZCAG-JTQLQIEISA-N 302.139 -0.893 50 20 DBGD CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCB(O)O 585062125 DFOBJYGDXMDDIC-LBPRGKRZSA-N 320.154 -0.182 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(NC(=O)C2CC2)CC1 732198160 VUOSVCVOIIFGDS-JTQLQIEISA-N 310.398 -0.077 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)COC[C@@H]1CCCO1 740852540 BEJDJZWVJGYRDT-NSHDSACASA-N 315.370 -0.366 50 20 DBGD COc1cc(C)nc(NNC(=O)Cc2nc3ncccn3n2)n1 746623355 LTTPLOJCADQOGR-UHFFFAOYSA-N 314.309 -0.083 50 20 DBGD C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1ccc(C(N)=O)nn1 757402152 INBZBRQQYQLVNS-SSDOTTSWSA-N 308.342 -0.431 50 20 DBGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)C(=O)NC1CC1 761784299 BMNCCKCPXANREC-UHFFFAOYSA-N 315.333 -0.196 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(CNC(N)=O)cc2)n[nH]1 765586447 VMJMWTPYMOFNAL-UHFFFAOYSA-N 316.321 -0.039 50 20 DBGD COc1ccccc1C(=O)NNC(=O)C(=O)NCC(F)F 767897605 BBXBRAOFNLDRKB-UHFFFAOYSA-N 301.249 -0.163 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)[C@H]1CN(C)CCO1 769995018 DSAXKOKGOZVZFK-DGCLKSJQSA-N 321.381 -0.326 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2CCC(=O)NC2=O)c1 780796191 MYSKUQAVBUDXBR-UHFFFAOYSA-N 320.305 -0.142 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)c2cccn21 788738724 NAASVRXZCJPYMM-SNVBAGLBSA-N 306.322 -0.322 50 20 DBGD CN1CCN(C(=O)NN=C2CCC3(CC2)NC(=O)NC3=O)CC1 790174461 POTQUJQNGVCZIF-UHFFFAOYSA-N 322.369 -0.548 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798308088 PDMFCIOLQOVOIP-HNNXBMFYSA-N 323.349 -0.213 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cccn2c(O)nnc12 802027767 VZYOPKNAZCXDAY-UHFFFAOYSA-N 313.277 -0.282 50 20 DBGD CNc1nnc(CC(=O)NNC(=O)N=c2cc[nH]cc2)s1 802035324 FFFSUYYXYRTZOP-UHFFFAOYSA-N 307.339 -0.208 50 20 DBGD CC1CCN(C[C@@H](C)C(=O)NN=C2C(=O)NC(=O)NC2=O)CC1 814216158 ACAKWSQQJAMQKD-SECBINFHSA-N 323.353 -0.807 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@H](C)C(=O)O)n1 818976826 TUOAQFLVEGGHEH-MRVPVSSYSA-N 314.367 -0.454 50 20 DBGD O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)[C@@H]1COCCO1 819194485 AERRQFAKICWTMC-NSHDSACASA-N 323.305 -0.369 50 20 DBGD O=C(CN1CCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 822996824 JRZJFPCPAXTBQK-UHFFFAOYSA-N 315.337 -0.277 50 20 DBGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C(N)=O)C1 825308662 CUXHPFKDOPQZFI-QMMMGPOBSA-N 314.342 -0.734 50 20 DBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825855776 UIOVYOSZGRQJHO-MXWKQRLJSA-N 312.370 -0.247 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)C(=O)Nc1cccnc1F 832451831 DSNPKTOGOZHHGR-VIFPVBQESA-N 310.285 -0.124 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCNC1=O 854223465 FPWYHWAWZMLOJB-LDYMZIIASA-N 309.297 -0.124 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 854926972 RTUZUDKCEAAZEL-HQJQHLMTSA-N 302.425 -0.092 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCNC2=O)cc1 856791392 OBUUZPCHDPUBKI-LLVKDONJSA-N 306.322 -0.609 50 20 DBGD CC(C)(C)C[C@H](O)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858696022 HKBIKSFNRUBFHX-IUCAKERBSA-N 300.359 -0.608 50 20 DBGD CN(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C 862455615 PENQAENKSKZYCH-QMMMGPOBSA-N 314.342 -0.721 50 20 DBGD CCOC(=O)C1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 862463354 BHAOEICDXCKFEG-SECBINFHSA-N 311.338 -0.464 50 20 DBGD COC(=O)[C@@H]1CCCCCN1C(=O)c1ccc(B(O)O)cc1 863879188 VUESQYYVHDOYBL-ZDUSSCGKSA-N 305.139 -0.076 50 20 DBGD CNC(=S)N(C)NC(=O)CCN1CCN(C(C)C)CC1 909994594 XTUUWVMNROGDAH-UHFFFAOYSA-N 301.460 -0.130 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1n[nH]cc1C(=O)OC 912545876 CNWKXECBXWLSLG-UHFFFAOYSA-N 305.316 -0.949 50 20 DBGD COC(=O)NC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1116261860 LPLGLRXIRUZLOP-UHFFFAOYSA-N 323.309 -0.698 50 20 DBGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)N(C)C)ccc1O 1253086196 LLJJSSIAQRWGFX-UHFFFAOYSA-N 316.339 -0.185 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccc([N+](=O)[O-])c1C 1321024994 VDGWRSPOZSKUPJ-UHFFFAOYSA-N 310.266 -0.093 50 20 DBGD O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)NNC(=O)C1CCNCC1 1334229530 KULLWWQJGCXWQQ-LMKPVCQUSA-N 309.414 -0.153 50 20 DBGD CC(C)(C)N1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 1334931827 ZYQYOBCHHMJFEP-SNVBAGLBSA-N 311.386 -0.578 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 1338005894 RNFWIUYYNXZQLG-UHFFFAOYSA-N 321.293 -0.797 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 1353486033 HDLPKPYSMWWSFE-SECBINFHSA-N 321.341 -0.767 50 20 DBGD CC(=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)c1cc(CO)on1 1549319942 JQFGJAUWIDNDTR-GXFFZTMASA-N 308.338 -0.130 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)CN2CCNCC2)cc1 1574033826 FLNZCXGCKFKXLO-UHFFFAOYSA-N 321.381 -0.840 50 20 DBGD C/C=C\[C@@H]1CNC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 1576926408 ZYAIRCMBCKWMOG-RQVXFDJMSA-N 320.349 -0.432 50 20 DBGD Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)NNC(=O)CCN)C2 1579737012 KCDPUBTXVQQPRY-OAHLLOKOSA-N 305.334 -0.037 50 20 DBGD COc1ccccc1NNC(=O)Cn1cnc(-c2nn[nH]n2)n1 1591651586 DGYTXYCSAXTGFY-UHFFFAOYSA-N 315.297 -0.390 50 20 DBGD C[C@@H]1[C@H](Cl)[C@H]1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1594188713 VVZYYWYSSDBTHN-BESMBUEOSA-N 315.757 -0.061 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1 1595117036 QTDQIHYYUWZDSZ-DTWKUNHWSA-N 315.326 -0.929 50 20 DBGD Cc1ncc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1C(=O)O 1600744538 ZIUAHQDQSGQDFD-SNVBAGLBSA-N 324.293 -0.344 50 20 DBGD CC(C)NC(=O)NNC(=O)COc1cccc(-c2nn[nH]n2)c1 1603337681 PCSIWUXWMORFQZ-UHFFFAOYSA-N 319.325 -0.016 50 20 DBGD O=C(CN1CCCCC1=O)NNc1ccc(-c2nn[nH]n2)cn1 1606546787 VJWVQCIIVLQPJE-UHFFFAOYSA-N 316.325 -0.283 50 20 DBGD CN(C)CC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842678031 DPYOWLAUSRPNCW-JTQLQIEISA-N 303.790 -0.649 50 20 DBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)NCC)c1 65190515 BLMYNJDJOPKWRA-UHFFFAOYSA-N 324.362 -0.438 50 20 DBGD CNC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1 111265338 WNJXOEVBHXPTRA-SNVBAGLBSA-N 324.406 -0.033 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cccc(CN2CCOCC2)c1 113423536 YQBXUQNCLIZTDM-UHFFFAOYSA-N 320.393 -0.159 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC(=O)N1 264409131 PXKNWNMTYOCOPJ-SECBINFHSA-N 307.306 -0.500 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)COc1ccc(C)cc1 270231265 ONSXUFWFAHBDTI-UHFFFAOYSA-N 323.349 -0.374 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)C1CC1 270900471 UHONJUKHURHTIL-UHFFFAOYSA-N 314.342 -0.815 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 272550441 YXZFNBPYGCJFFH-VHSXEESVSA-N 324.362 -0.007 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)CCC(N)=O 286307562 DSRPGWULVZBDCW-UHFFFAOYSA-N 306.366 -0.508 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCOCC1 299445351 UQKMVBWXXSZAEE-UHFFFAOYSA-N 312.351 -0.449 50 20 DBGD O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc(B(O)O)ccc1F 584957684 HWWGTRUSDHYHOL-JTQLQIEISA-N 303.102 -0.484 50 20 DBGD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCB(O)O)C2)cc1 585060534 FYRMMKPZAYWDAL-CYBMUJFWSA-N 304.155 -0.025 50 20 DBGD OC[C@H]1CCCN(c2cc(N3CC[C@@H](B(O)O)C3)ncn2)C1 585072670 CZILZRGJVJRKNL-NWDGAFQWSA-N 306.175 -0.262 50 20 DBGD COCCN1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744384698 OJQNARQNYAIYHS-UHFFFAOYSA-N 300.403 -0.556 50 20 DBGD CN(C)S(=O)(=O)c1cccc(NC(=O)NNC(=O)CO)c1 755367081 LQVKMLVTXBDOQW-UHFFFAOYSA-N 316.339 -0.918 50 20 DBGD CC(C)(NC(=O)C(F)(F)F)C(=O)NNC(=O)Cc1cc[nH]n1 760280165 RLROZFBXAYFIIH-UHFFFAOYSA-N 321.259 -0.443 50 20 DBGD Cn1c(NNC(=O)C2(NC(N)=O)CC2)nc2ccccc2c1=O 767479331 XGWCXFLVLJIMSB-UHFFFAOYSA-N 316.321 -0.423 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCOC[C@H]1OCCOC 777279875 VQZOCDURJFFXKI-GHMZBOCLSA-N 319.358 -0.826 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(C)nc1 795301013 DFRAQHZVYOQZNJ-UHFFFAOYSA-N 302.356 -0.081 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](CO)[C@@H](O)C2)c1 808752028 UVBOSMUSOQDDGR-KGLIPLIRSA-N 321.377 -0.569 50 20 DBGD O=C(COCc1ccccc1)NN=C1C(=O)NC(=O)NC1=O 814223516 WBVUFNMMPBYVEO-UHFFFAOYSA-N 304.262 -0.959 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826076173 OSLXBRKRXFALBI-VXGBXAGGSA-N 316.402 -0.290 50 20 DBGD O=C(C[C@H]1CC(=O)NC1=O)NNCC(F)(F)C(F)(F)F 827488338 OFFIMZPDYABPLI-SCSAIBSYSA-N 303.187 -0.142 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCc2ncncc2C1 843779456 SAHQUCIODUUGIC-JTQLQIEISA-N 305.338 -0.346 50 20 DBGD COCC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccco1 858355581 UOIBMLNATXOJLJ-UWVGGRQHSA-N 324.337 -0.034 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2COCc3ccccc32)N1 858702812 OFSOAAQYUPLJSP-NEPJUHHUSA-N 318.333 -0.133 50 20 DBGD CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)[C@@H]1CCC(=O)N1 863148503 DDGWKVNOXDJGDN-VHSXEESVSA-N 301.368 -0.276 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc(CO)c(F)c1 869906794 RKWGXFZEDMDLNG-UHFFFAOYSA-N 300.286 -0.258 50 20 DBGD C[C@]1(C(=O)NCCN2CCNC(=O)C2)C[C@H]1Br 907286395 QFVZUHGADMKASG-KCJUWKMLSA-N 304.188 -0.292 50 20 DBGD CCOCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)OC)cc1 1116729603 GLSJUGXJCRSUMC-UHFFFAOYSA-N 323.305 -0.518 50 20 DBGD CCOC(=O)NNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1319313706 LTYPLVKRHYSQNQ-QMMMGPOBSA-N 308.356 -0.254 50 20 DBGD COC(=O)C[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1323814573 TWBROVMRIGUNPJ-QMMMGPOBSA-N 308.294 -0.633 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1327800757 BYXJJEHYVWVXHT-SNVBAGLBSA-N 311.367 -0.573 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cn(C)c1=O 1337871807 OGBPAYCNTXXESX-UHFFFAOYSA-N 308.338 -0.174 50 20 DBGD Cc1nc(C)c(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)s1 1342599768 BCZQDMMUWMGSPU-UHFFFAOYSA-N 322.350 -0.188 50 20 DBGD Cc1cc(C)nc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1351592669 SPPLHZPFDFHTKU-VIFPVBQESA-N 319.321 -0.937 50 20 DBGD O=C(CCCc1cnn[nH]1)NNC(=O)c1ccc(O)cc1O 1577866434 QEBMUZFSJUAHAS-UHFFFAOYSA-N 305.294 0.000 50 20 DBGD NCCNC(=O)NNC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 1580312793 VXMCUWMTUGMXAM-NSHDSACASA-N 305.338 -0.460 50 20 DBGD N[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1580371253 RIJASUPTYZWXPN-KXUCPTDWSA-N 303.384 -0.914 50 20 DBGD COC(=O)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 1591257709 ULPAHZATPLXTCR-UHFFFAOYSA-N 309.286 -0.016 50 20 DBGD Cn1ccnc(NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1=O 1606255680 FKZZHGPSXNYGKK-UHFFFAOYSA-N 301.270 -0.955 50 20 DBGD O=C(NNc1ncncc1F)c1ccc(-c2nn[nH]n2)nc1 1609559937 MIICOZQTZQSYAE-UHFFFAOYSA-N 301.245 -0.052 50 20 DBGD COCCCNC(=O)NNC(=O)CSc1nncs1 49167259 BXYYQDJMRDLHCU-UHFFFAOYSA-N 305.385 -0.003 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O 265087626 SGAWNXZGSBJMJA-LBPRGKRZSA-N 322.340 -0.112 50 20 DBGD COc1cc(C)nc(NNC(=O)Cn2cc([C@H](C)O)nn2)n1 268911598 VJEBCNANVDHHBX-QMMMGPOBSA-N 307.314 -0.418 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)c1ccccc1O 270000793 YEKYUYLAOULPLH-UHFFFAOYSA-N 318.351 -0.381 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNc1nc2ccccn2n1 276851247 OUOYGCOXCOFTLR-UHFFFAOYSA-N 318.337 -0.189 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)ccc1OC 286187445 CTPTZKBWLVSHBH-UHFFFAOYSA-N 317.323 -0.314 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=S)NCCSC)O1 291199256 FZTGQFKZBMHQNY-JGVFFNPUSA-N 321.424 -0.435 50 20 DBGD CC(C)(C)c1nc(CNC(=O)c2cccc(B(O)O)c2)no1 584948076 IOMGNKYCWUEKLK-UHFFFAOYSA-N 303.127 -0.023 50 20 DBGD O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cc(B(O)O)ccc1F 585009286 VXIHNDVKSHRUBX-GFCCVEGCSA-N 319.101 0.332 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 728852736 ROCDQYXPMVVFMA-NSHDSACASA-N 302.334 -0.218 50 20 DBGD COc1cc(C(=O)NNC(=O)c2cnn[nH]2)ccc1[N+](=O)[O-] 729458139 IUMUFXOFMFTIGG-UHFFFAOYSA-N 306.238 -0.204 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](CS(C)(=O)=O)C1 795083394 ASFCGVKXTNGUNS-UWVGGRQHSA-N 305.400 -0.701 50 20 DBGD O=C(CNS(=O)(=O)c1cccnc1)NNc1cnccn1 810405536 CLPYFHLTMBIYQT-UHFFFAOYSA-N 308.323 -0.707 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN(C)C(=O)OC 822789730 LLTJDGOVYWJFCA-VIFPVBQESA-N 320.346 -0.934 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCc1cnn(C)n1 826863424 VQQQQNCCSHHZBB-GXSJLCMTSA-N 310.358 -0.497 50 20 DBGD COCCN(C)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 843882923 WYRQUHNTJOINGK-UHFFFAOYSA-N 315.395 -0.117 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)C1(S(N)(=O)=O)CC1 845821757 JWXMRSCEGFBTJQ-UHFFFAOYSA-N 311.363 -0.494 50 20 DBGD COCCOCCN1CCN(S(=O)(=O)CCl)CC1 846043864 DJFXHUNYVFLKSJ-UHFFFAOYSA-N 300.808 -0.207 50 20 DBGD CCCc1[nH]nc(C(=O)NNC(=O)c2cn(C)nn2)c1[N+](=O)[O-] 855186394 SPLIPUISLXXIDY-UHFFFAOYSA-N 322.285 -0.526 50 20 DBGD COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 858178149 VRJFAZUQJXCCHX-VIFPVBQESA-N 310.314 -0.416 50 20 DBGD COC(=O)Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862462488 XHLWHRFZMLSXOY-LLVKDONJSA-N 319.317 -0.558 50 20 DBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)CS(C)(=O)=O 863466135 NCBJDAKPRTZGJT-UHFFFAOYSA-N 308.356 -0.842 50 20 DBGD COC(=O)CCC(C)(C)NC(=O)c1cc(B(O)O)ccc1F 863872940 QONLVORPSFHEFN-UHFFFAOYSA-N 311.118 -0.033 50 20 DBGD Cn1cc(C[C@H](CO)NS(=O)(=O)CBr)cn1 867418256 GVQWUTNBSIAYSH-MRVPVSSYSA-N 312.189 -0.405 50 20 DBGD C[C@H]1CCCN1CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 897475717 AVDXJYDVGDXLCZ-WCQYABFASA-N 318.443 -0.148 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2nc[nH]c2n1 1116578358 SNONRWARYVHULI-SSDOTTSWSA-N 323.334 -0.846 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 1317822067 MQVVBGNGFYYAJZ-MRVPVSSYSA-N 308.429 -0.686 50 20 DBGD CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 1318521942 ZDCWDZIQGWPSHF-GHMZBOCLSA-N 311.386 -0.532 50 20 DBGD Cc1cc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 1320263181 FPPIQKUJSIKGAK-MRVPVSSYSA-N 302.356 -0.670 50 20 DBGD COC1CCC(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1320833785 SCDCTZIWULDKNO-HSOILSAZSA-N 318.395 -0.226 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)nc1 1320868515 ABLSSQYPYMXFGL-UHFFFAOYSA-N 307.310 -0.801 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1ccncc1)CC2 1323867053 XKADTUOPGRETRY-JTQLQIEISA-N 300.322 -0.224 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=Cc1nccs1 1324473463 IRNCLFXCHAIZFN-UHFFFAOYSA-N 312.336 -0.018 50 20 DBGD COc1cc(C)nc(NNC(=O)c2cn(CCCCN)nn2)n1 1326052474 SBPBGRJRTOECPM-UHFFFAOYSA-N 320.357 -0.119 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCCS1(=O)=O 1329169064 NSNOKKWECGSLHN-JGVFFNPUSA-N 306.340 -0.947 50 20 DBGD C[C@H]1CCCN(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1329980424 XGPLIQAOHYBJOV-QWRGUYRKSA-N 311.386 -0.673 50 20 DBGD Cc1nnc(NNC(=O)CCS(=O)(=O)CC(C)C)nc1O 1337518193 NMFYFSJPHKECNI-UHFFFAOYSA-N 317.371 -0.210 50 20 DBGD COc1cc(O)ccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 1338513363 NQACVAAXIBGIMK-MRVPVSSYSA-N 315.351 -0.211 50 20 DBGD O=C(NC[C@@H]1CCS(=O)(=O)C1)NNc1ncncc1F 1343849527 OXODILLDXIMWCO-ZETCQYMHSA-N 303.319 -0.324 50 20 DBGD CC(C)[C@@H](N)C(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1575447536 OZSTZZLACXKIFK-NXEZZACHSA-N 319.427 -0.422 50 20 DBGD NCCNC(=O)NNC(=O)C1(c2ccc3c(c2)OCCO3)CC1 1580311042 CVEYXUHPFCXFSX-UHFFFAOYSA-N 320.349 -0.222 50 20 DBGD NCCNC(=O)NNC(=O)CCCNC(=O)c1ccccc1 1580311294 NWNJQBWTWMKZFM-UHFFFAOYSA-N 307.354 -0.514 50 20 DBGD O=C(COC1CNC1)NNC(=S)NCCc1cccs1 1580560312 GRFCVJJETYWHQO-UHFFFAOYSA-N 314.436 -0.226 50 20 DBGD Cc1c(NC(=O)c2cccc(B(O)O)c2)cnn1CC(=O)O 1600047102 XCDGGQQNELOVBY-UHFFFAOYSA-N 303.083 -0.792 50 20 DBGD Cc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]c1C(=O)O 1600185326 MILBGONTVTVGHR-SSDOTTSWSA-N 316.339 -0.591 50 20 DBGD O=C(CN1CCSC[C@H](C(=O)O)C1)NNC(=O)C1CC1 1601318991 IYUWKATUJFKVPD-SECBINFHSA-N 301.368 -0.707 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc(C(=O)O)n1 1601354624 LHPNQNUMNCEZHV-UHFFFAOYSA-N 304.266 -0.102 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc2ncsc2c1 1601635879 NELYOJVWNQSWTC-UHFFFAOYSA-N 308.275 -0.533 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc(C(=O)O)nc2)N1 1602638136 LGXCKTJWVGWAFP-SSDOTTSWSA-N 307.266 -0.789 50 20 DBGD CC(C)NC(=S)NNC(=O)c1cccn(CC(=O)O)c1=O 1603075203 IDEDLHIYHJXPIZ-UHFFFAOYSA-N 312.351 -0.550 50 20 DBGD Cc1cc(CC(=O)NNC(=O)CCc2ocnc2C(=O)O)n[nH]1 1607636606 STDPAVYODZXXNS-UHFFFAOYSA-N 321.293 -0.273 50 20 DBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)c1ccccn1 17329336 SSGAKMCZNYWWMG-UHFFFAOYSA-N 324.300 -0.352 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(C)(C)N2CCOCC2)n1 278781895 XVULUYKLDDJLKE-UHFFFAOYSA-N 323.397 -0.242 50 20 DBGD CCc1occc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 281450953 FYWMHKKZEQLBFP-ZETCQYMHSA-N 303.340 -0.459 50 20 DBGD COCCCNC(=O)NNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 291550971 QFWKXMOXBMOKFE-UHFFFAOYSA-N 308.298 -0.768 50 20 DBGD CCn1c(NNC(=O)CCNC(N)=O)nc2ccccc2c1=O 298934722 MWDDEZSAAYMSJM-UHFFFAOYSA-N 318.337 -0.082 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccc(F)cc2C1)C(=O)NC1CC1 378309272 FDZFVKJKQSACPZ-SECBINFHSA-N 321.308 -0.197 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)COc1ccccc1O 496903211 QFBPQALMGLCJSF-CPCISQLKSA-N 309.278 -0.585 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 584986421 ZCHZKTXZVJJCCJ-RBSFLKMASA-N 319.166 -0.632 50 20 DBGD O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(B(O)O)c(F)c1 584987817 VIRKGVJQWAINSB-OLZOCXBDSA-N 320.129 -0.611 50 20 DBGD NS(=O)(=O)C[C@H]1CCN(S(=O)(=O)CBr)C1 725528903 LELCYPFNPQVGGF-LURJTMIESA-N 321.218 -0.721 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(C#N)c1)N1CCN(C)CC1 728977650 WCIMLGGEADYVAK-GFCCVEGCSA-N 315.377 -0.045 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN([C@H]2CCC[C@H]2O)CC1 734487609 XIAIDZRGNFOJHF-RWMBFGLXSA-N 312.414 -0.537 50 20 DBGD O=C(NNC(=O)[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1 738129612 FDWHZODHQTUVIC-JTQLQIEISA-N 302.294 -0.336 50 20 DBGD CC(C)c1nccnc1NNC(=O)CCNS(C)(=O)=O 772860150 NPHBQOQFRXWYFL-UHFFFAOYSA-N 301.372 -0.018 50 20 DBGD COc1ccc(NNC(=O)Cn2ccc(=O)n(C)c2=O)nc1 781519533 WVNHNRMBMNMPKM-UHFFFAOYSA-N 305.294 -0.906 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 783380258 VSSGVLGEDGFFIU-RKDXNWHRSA-N 306.409 -0.146 50 20 DBGD COc1cc(C)nc(NNC(=O)NCCOCCN(C)C)n1 788014577 UXPYMSKFPWZBPL-UHFFFAOYSA-N 312.374 -0.002 50 20 DBGD O=C(CNS(=O)(=O)c1cccnc1)NN=c1cc[nH]cc1 810971188 TWAPYWGFTIHSSC-UHFFFAOYSA-N 307.335 -0.680 50 20 DBGD COc1cc(Cl)ccc1C(=O)NN=C1C(=O)NC(=O)NC1=O 814217482 IPNANQNOUWLLSW-UHFFFAOYSA-N 324.680 -0.200 50 20 DBGD CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](O)C(N)=O)cc1 819525619 LOHRJZAAGWOBMD-HJTPGIPUSA-N 303.318 -0.045 50 20 DBGD C[C@H](CO)N(C)NC(=O)CNS(=O)(=O)c1cccs1 823970119 CAQQINTVHSINMM-MRVPVSSYSA-N 307.397 -0.630 50 20 DBGD O=C(CN[C@@]1(C(=O)O)CCOC1)NNC(=O)c1ccccc1 833765014 SPHOZBKUEKKIGB-AWEZNQCLSA-N 307.306 -0.719 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 845104410 HKFMXGMSAXWJPF-SECBINFHSA-N 303.326 -0.575 50 20 DBGD CC1=C(C(=O)NNC(=O)NCC2CC2)[C@@H](C)n2nnnc2N1C 847390701 JUTPOFAAXSLTLP-MRVPVSSYSA-N 320.357 -0.302 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCN(C)C1=O 854283606 CJSOQEVPPJZSMX-SECBINFHSA-N 302.400 -0.661 50 20 DBGD Cn1cnn(CCC(=O)NNC(=S)NCC2CCC2)c1=O 855087079 DRFOYTCFUAEGRZ-UHFFFAOYSA-N 312.399 -0.733 50 20 DBGD O=C(NNC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1cn[nH]c1 858705198 XPYIWJQTFPZPPO-LLVKDONJSA-N 320.353 -0.149 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCOCc1ccccc1 863459999 LLMVBTYWBROXQH-UHFFFAOYSA-N 314.363 -0.215 50 20 DBGD COCCOCC(=O)NNC(=O)C1CCN(C(C)C)CC1 869906317 YQMOBMSXMJZUSD-UHFFFAOYSA-N 301.387 -0.083 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1cc2c(N(C)C)ncnc2n1C 910156944 ZHJDRMIAFZOMNJ-VIFPVBQESA-N 306.370 -0.008 50 20 DBGD COCc1ccccc1CNC(=O)NNC(=O)C(=O)NC1CC1 916426939 ZDOGAPRPZCNTAQ-UHFFFAOYSA-N 320.349 -0.058 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](Cc1ccccc1)OC 1117812585 OFPRDYDBDOSROZ-NSHDSACASA-N 309.322 -0.253 50 20 DBGD C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H](B(O)O)C3)ncn2)C1 1118916857 YDGDSEAOWMCRQZ-QJPTWQEYSA-N 306.175 -0.263 50 20 DBGD CN(C)c1nccc(CNC(=O)NNC(=O)c2cnn(C)c2)n1 1320072680 UNCLHNWKGFANQP-UHFFFAOYSA-N 318.341 -0.580 50 20 DBGD CNC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C 1324076376 BGDYNAKKWUALPO-JTQLQIEISA-N 310.358 -0.557 50 20 DBGD CSCC[C@@H](O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324086651 RBLCIHFPFIMFRT-NXEZZACHSA-N 310.441 -0.407 50 20 DBGD COCC#CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1350619518 GGTLQLAHJJAAMN-UHFFFAOYSA-N 317.349 -0.510 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CNCCO1 1576516612 REGZSDAJLIMLLT-ZDUSSCGKSA-N 311.317 -0.457 50 20 DBGD NCCCC(=O)NNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1580289086 LAQANCKLGLAYNM-BMIGLBTASA-N 302.334 -0.217 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H](O)c1ccccn1 1593165245 YKWDVPUQQBRHMN-NSHDSACASA-N 312.293 -0.167 50 20 DBGD O=C(Cn1ccc(C(=O)O)n1)NNC(=O)NCc1ccco1 1601385199 VCPCRCCXXWJHEP-UHFFFAOYSA-N 307.266 -0.295 50 20 DBGD CC(C)(C)OC(=O)N1CC(=NNC(=O)CO)C[C@@H](C(=O)O)C1 1603378760 DBUAJOZTSPDTRG-MRVPVSSYSA-N 315.326 -0.208 50 20 DBGD Cn1nc(C(=O)NNC(=O)CCC(=O)O)c2ccccc2c1=O 1611286433 ZYUOHYLFFISFKF-UHFFFAOYSA-N 318.289 -0.441 50 20 DBGD O=C(CCBr)N1CC2(CCCN2C(=O)C(O)O)C1 1841234708 JWERQCKODXVYOE-UHFFFAOYSA-N 321.171 -0.715 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2ncccn2)C1 1842480342 RVQHULYDWGPYDF-JTQLQIEISA-N 324.768 -0.107 50 20 DBGD O=C([C@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C=CCN1 1847559694 JUYVLDZVYHKCEZ-FIQHERPVSA-N 313.785 -0.684 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 111607919 LZGZADIBPIWQOL-UHFFFAOYSA-N 301.350 -0.433 50 20 DBGD CC(=O)NNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 146443830 DRKYIRLJEKSJAU-UHFFFAOYSA-N 305.294 -0.089 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)Cn2ncn(C)c2=O)n1 183235386 ZDMQPTFLWOWJIM-UHFFFAOYSA-N 320.357 -0.639 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1cccs1 264100816 HKZJNYIDFPZQPU-MRVPVSSYSA-N 319.408 -0.234 50 20 DBGD O=C(NCCN1C(=O)CCC1=O)NNc1ccc(Cl)nn1 265008017 KAXGGSPPVVHEDV-UHFFFAOYSA-N 312.717 -0.095 50 20 DBGD CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)C(=O)NC1CC1 270521085 MGSCGJPXEXSHGQ-MRVPVSSYSA-N 314.342 -0.815 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN(C)S(C)(=O)=O)c1 272855160 STDKBXGEFBWKRJ-UHFFFAOYSA-N 315.351 -0.192 50 20 DBGD COc1ccc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)nc1 275483403 GBAJMGQYERBPHJ-PELKAZGASA-N 308.338 -0.191 50 20 DBGD CC[S@](=O)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 278807483 ZYBUGYGQJKQSMG-MQJDWESPSA-N 312.347 -0.258 50 20 DBGD CCOC1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)C1 287191602 UHELIFKDLDNZTQ-UHFFFAOYSA-N 306.322 -0.017 50 20 DBGD CCc1ccccc1OCC(=O)NNC(=O)[C@H]1COCCN1 367626523 ORAGNMIUUWVHBK-GFCCVEGCSA-N 307.350 -0.236 50 20 DBGD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)CBr)C1 400125069 NRGBMOHSBBTUDB-LURJTMIESA-N 321.218 -0.708 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1CCCN1C(=O)C1CC1 404993520 FGCSOTRMRAVROY-ZDUSSCGKSA-N 302.139 -0.294 50 20 DBGD Cc1nc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)no1 584934851 YEDIDXDQQMBIFG-UHFFFAOYSA-N 301.111 -0.133 50 20 DBGD CC(=O)N1CCC[C@H](CNCc2ccc(B(O)O)cc2F)C1 585039349 QNKFGEHDMJCGQY-GFCCVEGCSA-N 308.162 -0.146 50 20 DBGD CS(=O)(=O)CCCc1nc(-c2ccc(B(O)O)cc2)no1 585050674 HGXHVZKABGCOMD-UHFFFAOYSA-N 310.140 -0.606 50 20 DBGD COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCB(O)O)cc1 585058732 OEPODMWTHKAIBR-VHODGJRUSA-N 306.127 -0.659 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@@H](C)NC(C)=O)cn1 729693235 OXFQYCVDBBGFPC-SSDOTTSWSA-N 311.367 -0.068 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)COc2ccc(F)cc2)CC1 729966743 ZCEXPZDMOKENCF-UHFFFAOYSA-N 309.297 -0.122 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1nccc2sccc12 734250495 WDOJDJNBUUTQFF-UHFFFAOYSA-N 321.362 -0.008 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)O)c1 738106920 QOQJZMWSQNUSTQ-QWRGUYRKSA-N 307.306 -0.025 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](CC(=O)OC)C1 752337042 KWNZRLNDIAKRDN-VHSXEESVSA-N 301.343 -0.804 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)c(F)c1 755697138 CVGAOXMWQPCZSP-ZETCQYMHSA-N 303.315 -0.081 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](NC(=O)NC2CC2)C1 760907546 NEOPQXQNVNBQGC-GXSJLCMTSA-N 311.386 -0.532 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 772899830 SYEKPLIJGIPBFE-SECBINFHSA-N 300.340 -0.554 50 20 DBGD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NNC(=O)CO 789587473 YXQDFAKDNXKNSS-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD CN(C)N(C(=O)CCn1cccn1)[C@H]1CCS(=O)(=O)C1 792855024 MPXJZBSQASACNJ-NSHDSACASA-N 300.384 -0.235 50 20 DBGD CO[C@@](C)(CNC(=O)NNC(=O)C(=O)N1CCCC1)C1CC1 813202942 TWGFGQQMEYKFOR-AWEZNQCLSA-N 312.370 -0.246 50 20 DBGD C=CCNC(=S)NNC(=O)c1nnn(-c2ccn(C)n2)c1C 814362380 ANIYRBCQAVVFBT-UHFFFAOYSA-N 320.382 -0.396 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NN(C)CCOC)CC1 816561720 JDJUZABOEKJMHM-UHFFFAOYSA-N 307.416 -0.343 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NC1COC(C)(C)OC1 826903043 QXFHSTSTHIETOZ-PSASIEDQSA-N 301.343 -0.107 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NC2CN(C(=O)O)C2)n1 830016114 BSVAJYCMXHGWSE-UHFFFAOYSA-N 310.314 -0.807 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)O)cc1 831122884 VGKUJDUZBNNYBZ-UHFFFAOYSA-N 320.261 -0.870 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1C 833734239 PVSYXLHHYICKMX-UHFFFAOYSA-N 317.323 -0.419 50 20 DBGD C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccc(C#N)cc1 839481316 MUYIJCSNJMKACU-SNVBAGLBSA-N 315.333 -0.860 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1nc(N(C)C)no1 843970945 NKEMCAKQIXALBJ-DTWKUNHWSA-N 311.342 -0.359 50 20 DBGD CC(C)c1nccnc1NNC(=O)Cn1cnc(C(N)=O)n1 846018591 JYSPWUQOKXRMSI-UHFFFAOYSA-N 304.314 -0.566 50 20 DBGD NS(=O)(=O)N1CCC[C@H](C(=O)NNc2ncccc2F)C1 854416761 WSEPJHMWERFQMK-QMMMGPOBSA-N 317.346 -0.421 50 20 DBGD C[C@H](NC(=S)NNC(=O)c1nc(N)nc(N(C)C)n1)C1CC1 855097186 KZCAJGGTWQUANF-LURJTMIESA-N 324.414 -0.573 50 20 DBGD CS[C@@H]1CC[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858254035 BKSHVWHLVOHGBU-DJLDLDEBSA-N 300.384 -0.121 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCCC1 858278002 UUNVKQKMNXFQNX-QWRGUYRKSA-N 311.386 -0.530 50 20 DBGD CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858310928 BKHWVWMIEVEVGF-AXFHLTTASA-N 311.386 -0.532 50 20 DBGD COC(=O)COc1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1 863147256 BPJOSTUEXRWSQN-LBPRGKRZSA-N 319.317 -0.033 50 20 DBGD CCO[C@@H](CS(=O)(=O)NNC(=O)NCCCOC)C1CC1 863402433 LCNKEYFAJJMUHN-NSHDSACASA-N 323.415 -0.028 50 20 DBGD COc1cccc(OCC(=O)NNC(=O)CS(C)(=O)=O)c1 863459898 IOARRPOWEFMCOZ-UHFFFAOYSA-N 316.335 -0.734 50 20 DBGD CCOc1nc(C)ccc1C(=O)NNC(=O)CS(C)(=O)=O 863465148 VCLKIRRKGIVLQX-UHFFFAOYSA-N 315.351 -0.406 50 20 DBGD O=C(NC[C@@H]1CCCN1CC(F)F)c1ccc(B(O)O)cc1 863887727 SQRBPZKAQCPAQX-LBPRGKRZSA-N 312.125 -0.174 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(CC(F)F)C1 864600171 DUQJUKUSNWYNBY-SECBINFHSA-N 320.340 -0.365 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)COCCOC 869909381 UEDHLADTJMPKPY-NSHDSACASA-N 315.370 -0.412 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 887140510 IHVTUOPFGKLXIC-JTQLQIEISA-N 301.368 -0.639 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNc1ccc(Cl)nn1 916294441 PENAOUWKYBJFGH-UHFFFAOYSA-N 308.751 -0.695 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 1118235015 MEMBVBMFFLEAQQ-NEPJUHHUSA-N 320.349 -0.169 50 20 DBGD COCC1(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1261498439 FLOCMDUZBRWGQD-SECBINFHSA-N 319.383 -0.679 50 20 DBGD O=C(CCC(=O)N1CCC(O)CC1)NNC(=O)c1ccccn1 1319632750 YIKPWXXGMYOPLP-UHFFFAOYSA-N 320.349 -0.394 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccccc1-n1cccn1 1321151978 NGQLRMVJSPHRJX-UHFFFAOYSA-N 317.305 -0.659 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCc2nn(C)cc21 1326996199 YGNRUASMTPETKP-SECBINFHSA-N 307.354 -0.488 50 20 DBGD CCOCC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1327031262 KCWLYBXMCUTDMV-SECBINFHSA-N 304.368 -0.615 50 20 DBGD CCn1nc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)c1Cl 1329127043 MPWJDQXVXIQQMP-UHFFFAOYSA-N 322.774 -0.330 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CO[C@H]1CCOC1 1334339878 KOSGXEHBSKETGP-JTQLQIEISA-N 304.343 -0.272 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 1337274319 LQAWEFOTOAXBFS-NXEZZACHSA-N 309.322 -0.028 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cnn(CC(F)F)c1 1342590336 HMDAULHWOAYYAE-UHFFFAOYSA-N 301.253 -0.356 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1conc1C1CC1 1344501202 SVJVIEBCWODQIN-MRVPVSSYSA-N 313.335 -0.252 50 20 DBGD C=CCNC(=S)NNC(=O)c1cn([C@H]2CCCNCC2)nn1 1574943905 SNPGONKJCUMZAD-JTQLQIEISA-N 323.426 -0.112 50 20 DBGD COCC#CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1579619218 QHAFCFIEWAIEDT-UHFFFAOYSA-N 300.278 -0.723 50 20 DBGD CCNC(=O)NNC(=O)COc1cccc(-c2nn[nH]n2)c1 1590744114 HREDIPZFVKKHQL-UHFFFAOYSA-N 305.298 -0.404 50 20 DBGD O=C(NNC(=O)c1cccc(F)c1-c1nn[nH]n1)c1ncon1 1593159005 REWMWGSENMHVMJ-UHFFFAOYSA-N 318.228 -0.536 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1594688042 CVFBXOORCPDDGT-LLVKDONJSA-N 321.289 -0.168 50 20 DBGD COC(=O)CC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)O 1598856537 WNDQHTWJMJRVOX-GULOHRGCSA-N 320.305 -0.150 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 1599248360 WKNDCJZGBYNLLO-ZJUUUORDSA-N 302.327 -0.312 50 20 DBGD CC(=O)NCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 1602942434 LWCVGBYMYRAKSB-UHFFFAOYSA-N 308.302 -0.443 50 20 DBGD O=C(N[C@@H](C(=O)O)c1ccc(O)cc1)c1cccc(B(O)O)c1 1608385878 JAQDWPVZBLOOGX-CYBMUJFWSA-N 315.090 -0.372 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 53625683 VWZCBAAJBOONQI-ZETCQYMHSA-N 308.294 -0.724 50 20 DBGD CO[C@H](C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 54859327 TZDJWFWUUTWOQQ-MRVPVSSYSA-N 304.306 -0.271 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 68382732 UOYTUBQCGGVGDR-NSHDSACASA-N 319.317 -0.500 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)[nH]n1 178008723 OOBOSWVSCUWDAS-UHFFFAOYSA-N 300.278 -0.037 50 20 DBGD O=C(NCCNC(=O)C1CC1)NNc1nc2ccccn2n1 190488335 CECRHPBJWULSDM-UHFFFAOYSA-N 303.326 -0.118 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H]1CSCCS1 269721067 UNHQIQJQKUZGEU-MRVPVSSYSA-N 305.425 -0.103 50 20 DBGD C[C@H]1CC/C(=C/C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C1 273529801 UZXNSRZGRJGEFZ-VHALWPABSA-N 303.384 -0.182 50 20 DBGD C[C@H]1CN(C(=O)C(=O)NNC(=O)CN(C)C)c2ccccc2O1 274041669 GCEXMVQDWCIWJO-JTQLQIEISA-N 320.349 -0.491 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 292290629 JIIGHTPHAWITRB-LLVKDONJSA-N 322.321 -0.707 50 20 DBGD CNC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 299142610 VHCMKQGLCXOVSK-NSHDSACASA-N 321.316 -0.135 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cn1ccccc1=O 494540182 ROMNUVQQYFKGAF-UHFFFAOYSA-N 324.337 -0.480 50 20 DBGD Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(B(O)O)cc2)n1 584937726 ASMHDYZJFJCNHJ-NSHDSACASA-N 301.155 -0.002 50 20 DBGD O=C(N[C@H]1CCN(c2ccccn2)C1)c1cccc(B(O)O)c1 584965592 QKDWCEXOACDXDY-AWEZNQCLSA-N 311.150 -0.230 50 20 DBGD CC(C)CS(=O)(=O)Cc1nc(-c2ccc(B(O)O)cc2)no1 585049614 STKZOBCXDPNGPH-UHFFFAOYSA-N 324.167 -0.013 50 20 DBGD O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585058607 KJIXOCRIHPXEHS-QMMMGPOBSA-N 300.101 -0.168 50 20 DBGD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCB(O)O 585060332 CPGSZZIHOCKOEV-UHFFFAOYSA-N 301.111 -0.200 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 737762729 LRHZBHWCVQTRLJ-UHFFFAOYSA-N 321.311 -0.493 50 20 DBGD Cn1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 747955665 RYCZBMKPYVUGQN-LBPRGKRZSA-N 300.384 -0.094 50 20 DBGD O=C(CO)NNC(=O)c1cccc(CN2C(=O)CSC2=O)c1 753439355 YPFPUSSXQQJFQY-UHFFFAOYSA-N 323.330 -0.365 50 20 DBGD CO[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C 753551197 NXSMIOYNYAKHJT-ZJUUUORDSA-N 312.370 -0.247 50 20 DBGD COc1ccnc(NNC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)n1 770434311 FTGIKPPAKBNHPA-ZJUUUORDSA-N 310.358 -0.170 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCCOCC1 776632949 JHCRREQDXZUFLU-QWRGUYRKSA-N 303.359 -0.063 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2ccn(C)c12 788332454 FUFRESDLNHMLNP-UHFFFAOYSA-N 304.306 -0.089 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccn(CC(F)F)n1 789914593 DKBJUTJCZHMUKJ-UHFFFAOYSA-N 303.269 -0.165 50 20 DBGD Cc1cccnc1NNC(=O)NCC1CN(S(C)(=O)=O)C1 791041708 WVBKSHIHFUZIGW-UHFFFAOYSA-N 313.383 -0.092 50 20 DBGD CN(NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O 793752867 JJCJHIZAPOUFGZ-UHFFFAOYSA-N 314.367 -0.479 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CC(=O)N2CCCC[C@H]12 799478800 OTGXRYDLHJUJGU-PSASIEDQSA-N 316.383 -0.819 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2(NC(N)=O)CC2)cc1 801110224 STTKBHDXCNGTBV-UHFFFAOYSA-N 319.321 -0.718 50 20 DBGD CCO[C@@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1SC 807970840 YQEZBRLPHGBMBL-FXBDTBDDSA-N 323.440 -0.063 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)OC(C)(C)C 821159817 HOASRPLXAXMEIE-SFYZADRCSA-N 323.371 -0.463 50 20 DBGD O=C(CN1CSCC1=O)NNc1ccc(-c2nn[nH]n2)cc1 826412036 YVZXKQAPNNJSEV-UHFFFAOYSA-N 319.350 -0.157 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1 841375491 GSJSQLCICXPNIH-QPUJVOFHSA-N 318.289 -0.419 50 20 DBGD CO[C@@H](CC(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 842231250 HPBAZFJCIKVXJW-IUCAKERBSA-N 309.388 -0.867 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccc(C#N)cn1 843980797 WUROVYNBEDKCNJ-GXSJLCMTSA-N 303.322 -0.062 50 20 DBGD O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)N1 845855803 UKJCSEUZLOXSTA-SECBINFHSA-N 300.296 -0.270 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)N3CCN(C)CC3)nn2c1 854379387 ZXNXHBCKIXXGJS-UHFFFAOYSA-N 318.341 -0.965 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@H](N3CCCCC3)C2)N1 858696558 JSECJELEWRGJNB-RYUDHWBXSA-N 323.397 -0.434 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@H](C2CC2)O1 858699261 NFPMSPBARZXCBB-FBIMIBRVSA-N 310.354 -0.495 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)N1 858700373 KJAKBEPTCFAIHE-KKJSVHSVSA-N 306.366 -0.016 50 20 DBGD CCOC(=O)[C@H](F)C1CN(C(=O)c2ccc(B(O)O)cc2)C1 863883686 JJFVPBBHSABXDW-GFCCVEGCSA-N 309.102 -0.660 50 20 DBGD C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)N(C)CC(F)(F)F 913731901 ADJSFOGRIXAQKM-QMMMGPOBSA-N 324.303 -0.361 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)o1 917893083 BCBIZEBIQDOKLM-UHFFFAOYSA-N 310.291 -0.603 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(C3CC3)nn2C)CC1 935860246 LRKHBDWDAOZGRY-UHFFFAOYSA-N 306.370 -0.101 50 20 DBGD O=C(C[C@H]1CCCCO1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116242721 ALNONIUKBZMKEI-NXEZZACHSA-N 304.368 -0.472 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nc[nH]c2nccc1-2 1118689955 YDPUXHNVTTYJFF-UHFFFAOYSA-N 318.337 -0.025 50 20 DBGD O=C(NNS(=O)(=O)CCCCF)[C@H]1CCS(=O)(=O)C1 1261252426 KVQCYCHSAWJBDQ-QMMMGPOBSA-N 316.376 -0.879 50 20 DBGD Cc1noc(C)c1CCNC(=O)NNC(=O)C(=O)N1CCCC1 1318382468 UCIKXLUJHCVZJZ-UHFFFAOYSA-N 323.353 -0.213 50 20 DBGD CS(=O)(=O)CCCC(=O)NNC(=O)NCc1ccco1 1318404051 NCCDXUWRJFVRQO-UHFFFAOYSA-N 303.340 -0.065 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)OC)[C@]12CCCO2 1320296281 PVSQRMXYTTYNAD-JRKPZEMJSA-N 315.326 -0.784 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)c(=O)n(C)c1 1337871113 HHBXKZKYRLVSGE-UHFFFAOYSA-N 308.338 -0.174 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](F)[C@H](N)C2)c1 1580074662 LTOIJCTVYKFEKF-CHWSQXEVSA-N 319.340 -0.310 50 20 DBGD COC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 1598884252 RJILZEQDQSUWEN-SECBINFHSA-N 323.261 -0.748 50 20 DBGD COc1cc(C(=O)O)ccc1NNC(=O)C[C@@H]1NC(=O)NC1=O 1599377344 UCDXFCDVSFZCKB-QMMMGPOBSA-N 322.277 -0.565 50 20 DBGD O=C(NNC(=O)C12CC(C(=O)O)(C1)C2)[C@H]1CCc2nncn2C1 1601553495 JXLQDVVUXCWLJD-AHOQVSSZSA-N 319.321 -0.757 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cccc(-c2nn[nH]n2)n1 1606851906 RQVIXPJHTANULR-SECBINFHSA-N 303.282 -0.798 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccc(CC(=O)O)cc2)nn1 1608098311 CXJVCNGGQWRTRN-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)NCCC(=O)NCCC(=O)O)cn1 1608110028 PDMWFJAJVQRZTG-IZZDOVSWSA-N 319.321 -0.576 50 20 DBGD COC(=O)[C@H](NNC(=O)C(=O)O)c1cc(OC)cc(OC)c1 1610157099 MOZXZDASEPIQNY-SNVBAGLBSA-N 312.278 -0.377 50 20 DBGD CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348212 STVQJXJZQCOJBW-MNOVXSKESA-N 316.833 -0.117 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2C1)C(=O)NC1CC1 10215044 KYVXLISORDKKTD-JTQLQIEISA-N 303.318 -0.336 50 20 DBGD CCOC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 48859398 TULPMDJIZMLQPC-SECBINFHSA-N 307.372 -0.175 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 113426386 HGYWHUKMESILFV-NSHDSACASA-N 312.414 -0.020 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc(Br)nn1C 192344676 AWAIXHNOCDARJP-UHFFFAOYSA-N 304.148 -0.495 50 20 DBGD CCOc1ccccc1C(=O)NCC(=O)NNC(=O)C(C)(C)O 278034127 UYXZWRCQSIQOJH-UHFFFAOYSA-N 323.349 -0.267 50 20 DBGD CN(C)c1ncc(CNC(=O)c2cccc(B(O)O)c2)n1C 584946399 ZOEUERGUYUZXJS-UHFFFAOYSA-N 302.143 -0.904 50 20 DBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@H](O)C(F)(F)F 584968315 KCFQNSPTUFKZFQ-ZJUUUORDSA-N 305.061 -0.202 50 20 DBGD Cc1nnc([C@@H]2CN(C(=O)c3cccc(B(O)O)c3)CCO2)o1 584974009 LJJBWOHVZNRADY-LBPRGKRZSA-N 317.110 -0.728 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)C1(C(N)=O)CC1 732263569 GVVWAPPQXWOUDF-UHFFFAOYSA-N 306.322 -0.480 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1nnc(O)c2ccccc12 739455265 YEFNLLXLZJFKLI-BDAKNGLRSA-N 316.273 -0.183 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 741092272 BCLTWEVZQDRNKP-NXEZZACHSA-N 321.399 -0.291 50 20 DBGD C[C@H](CC(=O)NNC(=O)CN(C)C)NC(=O)OC(C)(C)C 743333362 OSKXXCWZRIFXOV-SECBINFHSA-N 302.375 -0.001 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1 745847455 GNKLQAIGXHGJNZ-JOCHJYFZSA-N 324.362 -0.354 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccncc2)co1 755377197 ZLSBNYWQXXZEDA-UHFFFAOYSA-N 324.318 -0.343 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@]1(C)CCCO1 756078182 KTWMOZIXDRWLFV-MFKMUULPSA-N 303.359 -0.063 50 20 DBGD CNC(=O)NNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 756811717 HGNKAJFLDYMMAG-AWEZNQCLSA-N 306.322 -0.646 50 20 DBGD C=CCNS(=O)(=O)c1cccc(C(=O)NN(C)C(N)=O)c1 770438450 XYQFIWDPKJTACT-UHFFFAOYSA-N 312.351 -0.194 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)OC)nc1 771971471 ZQZVDXXNESMPDC-QMMMGPOBSA-N 323.305 -0.029 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)C(C)C 772039739 SJXUIBBSSBLYJZ-MRVPVSSYSA-N 308.356 -0.701 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)n1 786694619 WSBKLROWOGRHMY-NWDGAFQWSA-N 321.381 -0.061 50 20 DBGD Cn1cnc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)n1 809983249 FREBNZKFCCBEOB-UHFFFAOYSA-N 313.321 -0.295 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNc1ccc(C)nn1 821154242 MROMLYUVLISBCI-DTWKUNHWSA-N 315.355 -0.777 50 20 DBGD C[C@@H](CO)N(C)NC(=O)Cc1ccccc1S(C)(=O)=O 823921996 GNMRCPRGAICFFQ-JTQLQIEISA-N 300.380 -0.024 50 20 DBGD Cn1c(=NNC(=O)CN2CCNCC2=O)sc2ccccc21 826614186 CDUQRAAOZYPSBT-UHFFFAOYSA-N 319.390 -0.397 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)C1=NN2CCCN=C2N1 830332394 WMFNJZBPTBENLJ-UHFFFAOYSA-N 314.349 -0.337 50 20 DBGD CC[C@@H]1CN([C@H](CC)C(=O)NNC(=O)C(C)(C)O)CCO1 830696047 ACVACUKGZXUKRZ-GHMZBOCLSA-N 301.387 -0.206 50 20 DBGD CSCCNC(=S)NNC(=O)C[C@@H]1CCC(=O)N1C 831575588 PJFGPSKXOMIROK-QMMMGPOBSA-N 304.441 -0.144 50 20 DBGD CO[C@H](CS(=O)(=O)NNC(=O)c1cnccn1)C(C)C 842576049 SBPAHLSWZCMKNL-SNVBAGLBSA-N 302.356 -0.288 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)c1ccc(Cl)nc1 845223200 PORRKWWVTVCHTR-SSDOTTSWSA-N 318.742 -0.812 50 20 DBGD O=C(CC1CC1)NNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 846227957 HCKDMFIYHBKAFT-JTQLQIEISA-N 324.312 -0.741 50 20 DBGD CCCc1nnc(S)n1CC(=O)NNC(=O)c1cc[nH]n1 855359472 TUABURVLKPHQHV-UHFFFAOYSA-N 309.355 -0.296 50 20 DBGD CCC[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)OCC 858683948 YQPQFNNFYYZIDA-UWVGGRQHSA-N 300.359 -0.199 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860981652 XEZKOZKZVWFCFD-BDAKNGLRSA-N 324.341 -0.478 50 20 DBGD O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1CCC(=O)N1 862448675 FXCFTFBJYYJBLV-VIFPVBQESA-N 306.278 -0.437 50 20 DBGD CC(C)(C)C(=O)Cn1cc(C(=O)NNC(=O)c2cn[nH]c2)nn1 862472819 TWUKPXYRUODOCE-UHFFFAOYSA-N 319.325 -0.309 50 20 DBGD Cc1cc(=NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc[nH]1 862511283 JWTLASSSKAYVMQ-GFCCVEGCSA-N 305.382 -0.335 50 20 DBGD CC(C)OC(=O)CCCNC(=O)c1cc(B(O)O)ccc1F 863879685 XYPCHGBQALCLNE-UHFFFAOYSA-N 311.118 -0.033 50 20 DBGD CC(C)NC(=O)OC1CN(C(=O)c2ccc(B(O)O)cc2)C1 863883046 QBSWZZZDCWIAKG-UHFFFAOYSA-N 306.127 -0.675 50 20 DBGD O=C(CN1C(=O)CCOc2ccccc21)N1CC[C@H](B(O)O)C1 864233490 HWFCYCDNULKULQ-NSHDSACASA-N 318.138 -0.123 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 884439124 VCWQAGQBRQJPKP-RWMBFGLXSA-N 308.382 -0.161 50 20 DBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 898079837 QKJLOICWZRUNAX-LNFKQOIKSA-N 301.343 -0.454 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cnc(Cl)cc1C 1116729939 QZHJSWUKWIPKQS-UHFFFAOYSA-N 314.685 -0.698 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccncc1 1118805937 LWQKNEHRSXNCIA-MWLCHTKSSA-N 305.338 -0.206 50 20 DBGD O=C1NC(=O)C2(CCC(C(=O)NNc3ncc(F)cn3)CC2)N1 1253775202 IZJJEQVHQWQZER-UHFFFAOYSA-N 322.300 -0.173 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccccc1OC(F)F 1328598676 PSXUPISKHYABKV-UHFFFAOYSA-N 317.248 -0.244 50 20 DBGD COCCn1cc(C(=O)NNC(=O)CN(C)C)c(=O)cc1C 1329002358 BBMRGSIVOKMGBN-UHFFFAOYSA-N 310.354 -0.874 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C2CC2)n1 1331802237 BGMNYHKCFQIBFL-SNVBAGLBSA-N 303.322 -0.298 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNCC(F)(F)C(F)(F)F 1350013393 CNPIUYIEYPETER-UHFFFAOYSA-N 303.187 -0.046 50 20 DBGD COc1nccnc1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549318073 ABIHQCCFHRSITK-JQWIXIFHSA-N 305.338 -0.202 50 20 DBGD O=C(O)C1(C(=O)NN=c2cc[nH]cc2)CCS(=O)(=O)CC1 1574632870 CSCHIHMDRXOXEB-UHFFFAOYSA-N 313.335 -0.774 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1)[C@H]1CC(=O)N(Cc2ccco2)C1 1580732698 GRHBIWBZZRSZJZ-GXSJLCMTSA-N 306.322 -0.863 50 20 DBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)[C@H]1COCCO1)C1CC1 1601894207 YHXWCWJNXLEWHZ-VHSXEESVSA-N 315.326 -0.767 50 20 DBGD O=C(CCCn1ccc(C(=O)O)n1)NNC(=O)c1ccnnc1 1608306527 NCDDSJAUKGTYJE-UHFFFAOYSA-N 318.293 -0.387 50 20 DBGD CC(C)CC(=O)NNC(=O)Cn1nnc2ccccc2c1=O 10161076 QEIUPQZBEIJIOE-UHFFFAOYSA-N 303.322 -0.015 50 20 DBGD Cc1sc(=O)n(CCC(=O)NNC(=O)CN(C)C)c1C 77613945 VQIAVVGRRRVSGR-UHFFFAOYSA-N 300.384 -0.374 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)COc1ccccc1O 264524532 XAKZPIQOUTXPOL-UHFFFAOYSA-N 311.294 -0.336 50 20 DBGD Cc1cc(F)cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 267102756 WWSJOUVYARCKEA-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD CCc1n[nH]c(=O)c(C(=O)NNC(=O)N2CCOCC2)c1CC 268153430 MQSZKKCETATVIJ-UHFFFAOYSA-N 323.353 -0.419 50 20 DBGD CNC(=O)[C@H]1CN(C(=O)NNC(=O)c2ccccc2)CCO1 272768687 LZHCSVLHYIPMLP-LLVKDONJSA-N 306.322 -0.512 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCc3cn[nH]c3C2)CC1 287736163 HFJUCIYKQYTLKC-JTQLQIEISA-N 306.370 -0.497 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494641552 RAQSOCAELQJIDA-UHFFFAOYSA-N 302.375 -0.001 50 20 DBGD COC(=O)NCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 495586793 DLTLYZJOVJBXOB-UHFFFAOYSA-N 310.266 -0.076 50 20 DBGD CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584945985 NNMWTPOJRHGABP-MRVPVSSYSA-N 317.147 -0.942 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(C2CCOCC2)CC1 584958507 ZNGLDAXGKWYBCS-UHFFFAOYSA-N 318.182 -0.697 50 20 DBGD COCCO[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584987797 ZJWKUWGVSAMMTL-CQSZACIVSA-N 307.155 -0.366 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1COCCO1 732306023 UZXXAPWNHPBEEV-JTQLQIEISA-N 300.336 -0.051 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1cc(OC)cc(OC)c1 737755575 COLHJZVEICVFHP-UHFFFAOYSA-N 318.351 -0.086 50 20 DBGD CC(C)C(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742476513 FEELCOZEJMATST-LSKIRQOJSA-N 323.349 -0.658 50 20 DBGD COC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCCC1 754207654 QMTABFYASUUMMY-MRVPVSSYSA-N 307.372 -0.969 50 20 DBGD COC(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1 761530881 FRTROMBFJPPZCH-VIFPVBQESA-N 323.305 -0.265 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)COC2 764213316 VOYFEADMJMBFNQ-UHFFFAOYSA-N 306.322 -0.636 50 20 DBGD CC(C)(C=NNC(=O)C(N)=O)N1C(=O)c2ccccc2C1=O 782120144 TXUKFGATAXLQHL-UHFFFAOYSA-N 302.290 -0.352 50 20 DBGD COCCCNC(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 785956251 PWAGBRDTTLLCIP-UHFFFAOYSA-N 321.399 -0.291 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 787252348 VRDURATWALYTET-UHFFFAOYSA-N 320.353 -0.676 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNc1ccc(-n2ccnc2)nn1 806363535 CSJPZXHGUNYUQU-UHFFFAOYSA-N 300.286 -0.639 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(CO)c1 813433981 GWBLMGCNMRVTOP-UHFFFAOYSA-N 317.301 -0.037 50 20 DBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCNC1=O 824311866 WBNLJMHSTVFHQX-VIFPVBQESA-N 307.266 -0.573 50 20 DBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 826448242 NNTVGKCLZYIIEH-VIFPVBQESA-N 322.350 -0.256 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1csnc1C(=O)O 829514247 ZYWBSJZFJKTYMZ-UHFFFAOYSA-N 308.341 -0.256 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H]2C(N)=O)c1 831858959 ZIARFAPANOWRAQ-GFCCVEGCSA-N 304.350 -0.294 50 20 DBGD C=CCn1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)nn1 843850965 YZJBMSNUYYODDJ-UHFFFAOYSA-N 324.341 -0.250 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@@H](O)C2CC2)c2ccccc2c1=O 854205492 WBJYYJWASGZDQC-LBPRGKRZSA-N 316.317 -0.535 50 20 DBGD O=C(NNC(=S)NCC1CCC1)[C@H]1CCCS1(=O)=O 855093607 HKYVKVGNZMZXNA-SECBINFHSA-N 305.425 -0.141 50 20 DBGD Cc1ccc(F)cc1NNC(=O)CNS(=O)(=O)N(C)C 855370205 QZXQFFNBIVIVRW-UHFFFAOYSA-N 304.347 -0.027 50 20 DBGD CN(C)c1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858694403 NUMIHUBOKRFCEB-LBPRGKRZSA-N 319.365 -0.138 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNC(=O)C3CCC3)CC2=O)cn1 859327952 GQDHYTQEGDVTGD-SNVBAGLBSA-N 305.338 -0.280 50 20 DBGD O=C1CC[C@@H](C(=O)NN=C2CCN(c3cnccn3)CC2)N1 863145115 JTTHDCUQLQBLJY-NSHDSACASA-N 302.338 -0.172 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)N(C)C)C[C@@H](C)O1 877999074 NIZKMRZXFZOUPG-GRYCIOLGSA-N 300.403 -0.417 50 20 DBGD CC1(C)CCN(CCNC(=O)c2cc(B(O)O)ccc2F)C1 890066106 MQILOKDEMKPTCF-UHFFFAOYSA-N 308.162 -0.033 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCC(=O)N2C)n1 905160876 QUGZDMWYRGTJEC-NSHDSACASA-N 307.354 -0.342 50 20 DBGD Cc1noc2ncc(C(=O)NNC(=O)CN3CCCC3=O)cc12 920436223 ZCOIVBQSZQXSBL-UHFFFAOYSA-N 317.305 -0.085 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2ccnn2C)C1 933537259 OSZPVYGLHNPZGV-PWSUYJOCSA-N 309.370 -0.261 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 1116379972 HWKYOFMPEOJBCG-JOYOIKCWSA-N 319.383 -0.945 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(O)n1 1116496013 OGKIAWUYQVEEFP-MRVPVSSYSA-N 313.335 -0.709 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 1116618417 VTAJVTQMZWYHKC-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(OC)cc1 1319733140 STKZYISBZPHHJK-UHFFFAOYSA-N 315.351 -0.605 50 20 DBGD C[C@@H](C(=O)NNc1cccc(S(C)(=O)=O)c1)S(C)(=O)=O 1319965073 ADAVBAMTTGTJNV-QMMMGPOBSA-N 320.392 -0.034 50 20 DBGD O=C(NC[C@@H]1CCCS(=O)(=O)C1)NNC(=O)C1CCC1 1322692390 DLEBHDQWZXBXKT-VIFPVBQESA-N 303.384 -0.058 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCCC2)NNC(=O)C1CCC1 1322712720 UEZAIZAFCFHJSX-UHFFFAOYSA-N 307.354 -0.281 50 20 DBGD N#Cc1ncn(CC(=O)NNC(=O)Cc2cn3ccccc3n2)n1 1324088648 SWWHMTRUPVZPDF-UHFFFAOYSA-N 324.304 -0.812 50 20 DBGD C[C@H](NC(=S)NNC(=O)c1cnn2c(=O)cc[nH]c12)C1CC1 1328357628 WGQGIKYUOSOGCN-ZETCQYMHSA-N 320.378 -0.070 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccc(Cl)nc2)N1 1330167912 HUUVHMMVFAMDKY-SSDOTTSWSA-N 318.742 -0.677 50 20 DBGD C[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)N1CCNCC1=O 1575072330 UBSBJSARILCQLI-QMMMGPOBSA-N 322.756 -0.130 50 20 DBGD CN1C[C@H](O)C[C@@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591171598 LISXLXVPCOCLQP-RNCFNFMXSA-N 318.341 -0.840 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1592499714 APYZTVGKAUQQGT-SVRRBLITSA-N 320.309 -0.046 50 20 DBGD C[C@@H]1[C@@H](Cl)[C@H]1CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1594188714 VVZYYWYSSDBTHN-JIYZTFHLSA-N 315.757 -0.061 50 20 DBGD O=C(O)c1ccc(NNC(=O)[C@H]2CCc3nnnn3CC2)nc1 1602385602 YFTUFAQHEDIOFQ-QMMMGPOBSA-N 317.309 -0.138 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCNC(=O)[C@H]2C)cc1 113931757 AVMNSCDXVOLVPE-LLVKDONJSA-N 304.350 -0.424 50 20 DBGD Cc1cc(F)ccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273504313 PUHCIIHYTPSGGI-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD CCc1cccnc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273545900 XYHYUWPVEIGONM-QMMMGPOBSA-N 314.367 -0.657 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 274181074 KHXGRUBTRDVRBL-UHFFFAOYSA-N 314.367 -0.196 50 20 DBGD O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)N1CCOCC1 274224704 VTBUTLIEABYDKM-UHFFFAOYSA-N 324.312 -0.372 50 20 DBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNC(=O)CN(C)C 282519574 QMKZCAVMHNHATB-QMMMGPOBSA-N 312.292 -0.602 50 20 DBGD CN1C[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CC1=O 286585205 KBQQTXPGWYEGLE-SECBINFHSA-N 301.310 -0.416 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2COCCO2)cc1 298496049 WUTSPTWNVQIIGL-LBPRGKRZSA-N 309.322 -0.330 50 20 DBGD CC(=O)N1CCC(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584941295 HXTIUPILSQHAPE-UHFFFAOYSA-N 322.145 -0.506 50 20 DBGD C[C@@H](CN1CCOC[C@H]1C)NC(=O)c1cccc(B(O)O)c1 584941411 JPKUYXWORFRTCW-NWDGAFQWSA-N 306.171 -0.795 50 20 DBGD CCc1nc([C@H](C)NC(=O)c2cc(B(O)O)ccc2F)n[nH]1 584969869 YTDYCKSTIJMQFL-ZETCQYMHSA-N 306.106 -0.323 50 20 DBGD CCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C)C1=O 584974745 PWJOTYGXBFFXDG-VIFPVBQESA-N 308.118 -0.802 50 20 DBGD O=C(NCc1nnc(C2CC2)o1)c1cc(B(O)O)ccc1F 584976746 MATCGVXDAJVFPA-UHFFFAOYSA-N 305.074 -0.304 50 20 DBGD O=C(N[C@H]1C[C@H]2CCCCN2C1)c1ccc(B(O)O)c(F)c1 584998033 NWUCOIYDAJFNAI-NWDGAFQWSA-N 306.146 -0.138 50 20 DBGD COCCCn1cc(C)c(NCc2ccc(B(O)O)cc2)n1 585046480 VVVZWHRDVQOERK-UHFFFAOYSA-N 303.171 0.520 50 20 DBGD O=C(CCc1nc(-c2ccco2)no1)NNC(=O)c1cnn[nH]1 729456939 PKIBUPUFLGCUIS-UHFFFAOYSA-N 317.265 -0.159 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 733757544 DJCSBTFJHBZNEO-OPRDCNLKSA-N 307.306 -0.276 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccc(Cl)nn1 735688225 FEWUDIMPKMIRJA-ZETCQYMHSA-N 319.774 -0.003 50 20 DBGD O=C(O)Cn1cc(S(=O)(=O)NNC(=O)c2ccccc2)cn1 739911594 DPZQGIYGPKAPEK-UHFFFAOYSA-N 324.318 -0.409 50 20 DBGD C[C@@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)C(C)(C)C 744404354 ORVXRMSXJYSTRC-SECBINFHSA-N 305.400 -0.701 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746096236 QUXUIPHBMQBXDC-ILAIQSSSSA-N 323.349 -0.659 50 20 DBGD Cn1ncc(C(=O)NNC(=O)COCc2ccccc2)c1N 758220779 UELYEJKXNMXIIE-UHFFFAOYSA-N 303.322 -0.020 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNc2ncc(F)cn2)C1=O 760914510 GOULNTNUDOUSFH-CYBMUJFWSA-N 322.300 -0.221 50 20 DBGD COC(=O)[C@]1(N[C@H](C)C(=O)NNC(=O)CC(C)C)CCOC1 767684147 LJKPSLIYMVPSDS-YGRLFVJLSA-N 315.370 -0.510 50 20 DBGD C[C@H](C1CC1)n1cc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 778709233 BECXTWLVDMRZEF-SECBINFHSA-N 322.369 -0.498 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)c1c[nH]c2ccccc12 807551652 AOUAIWFNLHVGKE-UHFFFAOYSA-N 314.305 -0.248 50 20 DBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)c1ccc2c(c1)OCCO2 820114741 STFVEHWYLPLEBK-SECBINFHSA-N 305.290 -0.503 50 20 DBGD COCCN(C)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 822843417 MNASJKPOTVROME-SFYZADRCSA-N 318.317 -0.181 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 827913668 GBSPVXIQVRLVGL-GHMZBOCLSA-N 324.293 -0.047 50 20 DBGD COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)CBr)C1 828382669 VXALYTSQZMEGHM-BQBZGAKWSA-N 316.173 -0.476 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842588864 FEMUFVOPFOZPDT-BDAKNGLRSA-N 322.383 -0.439 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)s1 843652394 AYTFHHWHPYCVAL-CBAPKCEASA-N 314.367 -0.064 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1cccc(C#N)c1 845855591 XKJGAWFSMFEQPL-UHFFFAOYSA-N 311.367 -0.260 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2nnnn2c1 854386155 KQWWYTRCWNGFHR-UHFFFAOYSA-N 322.325 -0.326 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 861576517 HARSKVRQIRSWBE-UWVGGRQHSA-N 315.370 -0.162 50 20 DBGD O=C(CSCc1cccnc1)NNC(=O)[C@H]1CCC(=O)N1 862451817 HBBZSDRGJRUUAI-SNVBAGLBSA-N 308.363 -0.259 50 20 DBGD COC(=O)CC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 863886044 SULVKBQTDRAQLG-UHFFFAOYSA-N 305.139 -0.218 50 20 DBGD CN(C(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCCNC1=O 865118417 AGTXZZOJOZRHGT-GFCCVEGCSA-N 308.118 -0.754 50 20 DBGD Cn1nc(C(=O)NNC(=O)COc2ccc(F)cc2)ccc1=O 910801232 XMBUOENGDSQDMB-UHFFFAOYSA-N 320.280 -0.241 50 20 DBGD CC(=O)NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1116628131 GGXNHYUXSIOHIN-QXEWZRGKSA-N 300.384 -0.121 50 20 DBGD Cn1cncc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 1119275027 FFKQDPSGVWENJX-NSHDSACASA-N 301.372 -0.699 50 20 DBGD Cn1c(Cl)cnc1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1256575699 OLUPJHPMYVNXIM-SSDOTTSWSA-N 319.774 -0.106 50 20 DBGD CCn1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 1261460483 FXANGHQSOVTICO-WCBMZHEXSA-N 309.326 -0.586 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 1261771632 CQVDVKFFVVHTPW-INIZCTEOSA-N 318.377 -0.457 50 20 DBGD COCC(=O)NCCC(=O)NNc1nc(-c2ccncc2)no1 1318433497 ATROAJYCZBGPPC-UHFFFAOYSA-N 320.309 -0.273 50 20 DBGD O=C(/C=C\c1ccc[nH]1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320880950 AMQRPCGIPVZIJD-XOULXFPDSA-N 312.351 -0.455 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(F)cc1Cl 1323943827 NHTKXMWWIWGNFD-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCCC23CCOCC3)N1 1331532461 IDEORTNAXAYSNG-QWRGUYRKSA-N 324.381 -0.055 50 20 DBGD O=C(CN1CCC(CO)CC1)NNc1nc2ccccn2n1 1353656050 YPNBXVITJNHGOY-UHFFFAOYSA-N 304.354 -0.123 50 20 DBGD O=C(CNCC1CC1)NNC(=O)[C@H]1CCN1C1CCOCC1 1580555892 HEQDGRGLLZWUSZ-CYBMUJFWSA-N 310.398 -0.613 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NC[C@H]1CNCCO1 1580562367 QJURBRKBOZZAIL-SNVBAGLBSA-N 324.337 -0.910 50 20 DBGD O=C(NNC(=O)c1ncccn1)c1cc(-c2nn[nH]n2)ccn1 1582561662 PDXHKIFCNSHRBR-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(C(=O)O)c1 1593353547 ZSNHFZVNUZYUGE-SSDOTTSWSA-N 301.324 -0.234 50 20 DBGD CC(C)C(=O)NNC(=O)CN(CCC(=O)O)C[C@H]1CCCO1 1609682925 YIAZFNMVFBIZQB-LLVKDONJSA-N 315.370 -0.255 50 20 DBGD O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)C(=O)O 1610690930 LVFLYGDXCXXGNG-GFCCVEGCSA-N 320.349 -0.077 50 20 DBGD CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845164243 UUGGTDAHKPJXMT-VIFPVBQESA-N 315.805 -0.310 50 20 DBGD C#CC(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1845960774 LRIYVUVZDMSUDO-UHFFFAOYSA-N 306.366 -0.804 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1OC 8390001 MYULJOJKLJGYFM-UHFFFAOYSA-N 309.322 -0.011 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)c1cnn(C)c1 265295227 DKPQLKXZYVBVNA-UHFFFAOYSA-N 316.383 -0.214 50 20 DBGD CNc1nnc(CC(=O)NNC(=O)N2CCOCC2)s1 273585546 LSULSWGSAQXEBA-UHFFFAOYSA-N 300.344 -0.805 50 20 DBGD COC(=O)N(C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 286224441 FTIUYXPBVZHXEK-LLVKDONJSA-N 319.321 -0.164 50 20 DBGD CN(NC(=O)CN(C)S(=O)(=O)N(C)C)C(=O)OC(C)(C)C 496101048 HKAINUGLTCSBNJ-UHFFFAOYSA-N 324.403 -0.377 50 20 DBGD O=C1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C2(CCC2)N1 584987971 ZRGYNPWDPUDYEF-GFCCVEGCSA-N 320.129 -0.563 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1=O 585001191 SWOHEVOWEFLTDC-GFCCVEGCSA-N 322.145 -0.365 50 20 DBGD O=C(CCNCc1ccc(B(O)O)cc1F)N1CCCCC1 585034420 KPNIMVZVPHIGFC-UHFFFAOYSA-N 308.162 -0.002 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)C[C@@H](C)O1 736808888 KGSBPGFCOULVRC-GWOFURMSSA-N 313.354 -0.646 50 20 DBGD O=C(NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCC1 738134893 XVYGOEHDLHXTEQ-UHFFFAOYSA-N 322.350 -0.024 50 20 DBGD Cc1sc(=O)n(CC(=O)NNC(=O)N2CCOCC2)c1C 745996113 NKHQIYRJQDCEMY-UHFFFAOYSA-N 314.367 -0.400 50 20 DBGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)c1ccc(Cl)nc1 746128409 FFIABVJHMDFEBA-UHFFFAOYSA-N 324.684 -0.407 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)c1cnn(C)c1 750031126 SMDKKQPPFGBGAC-VIFPVBQESA-N 309.370 -0.024 50 20 DBGD CC(C)S(=O)(=O)CC(=O)NNc1cc(Cl)nc(N)n1 753457702 SRCJFLLQRCSFBI-UHFFFAOYSA-N 307.763 -0.022 50 20 DBGD CCCc1cnc(NC(=O)C(=O)NNC(=O)COC)s1 756155718 RRSQJXXIQXLQMH-UHFFFAOYSA-N 300.340 -0.172 50 20 DBGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)c1cnn[nH]1 756823476 IRKSLADEZVEQQF-UHFFFAOYSA-N 306.238 -0.204 50 20 DBGD O=C(NC[C@H]1CCCS1)NNC(=O)C(=O)N1CCCC1 757255633 UNVYLTJEYXDBIJ-SECBINFHSA-N 300.384 -0.165 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C#N)s1 758046027 RMXQHVUKJLQPGT-LURJTMIESA-N 316.364 -0.682 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccnc1Cl 764317578 LJTHGWORKNCNDZ-UHFFFAOYSA-N 300.702 -0.143 50 20 DBGD CCOC[C@H](C(=O)OC)N(C)CC(=O)NNC(=O)C1CC1 764346541 UQULPBGCMBCOMV-SNVBAGLBSA-N 301.343 -0.946 50 20 DBGD Cc1ncc(-c2ccc(NC(=O)C(=O)NNC(=O)CO)cc2)o1 764421674 QCYIMCPTIZMYOJ-UHFFFAOYSA-N 318.289 -0.272 50 20 DBGD CC(=O)N1C[C@H](C(=O)NNC(=O)C(C)(C)O)Oc2ccccc21 768260574 GAEMSEXXJTYJIJ-GFCCVEGCSA-N 321.333 -0.281 50 20 DBGD O=C1COc2ncc(C(=O)NNC(=O)c3ccccn3)cc2N1 770569933 XXYRUQMSDGMIHY-UHFFFAOYSA-N 313.273 -0.118 50 20 DBGD O=C(CN1CCNC(=O)c2ccccc21)NNC(=O)C1CC1 773606239 HUFFPEGKGDRJFP-UHFFFAOYSA-N 302.334 -0.206 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C[C@@H]1CCCOC1 793337161 NOCIHNSVZHBAGJ-JTQLQIEISA-N 309.322 -0.027 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNc1ncncc1F)n1cccn1 817076972 BSWCKFBKVYFQLW-SECBINFHSA-N 321.316 -0.025 50 20 DBGD CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NNC(=O)CC1CC1 819114329 GBUKYYOQLUVINS-SNVBAGLBSA-N 312.370 -0.660 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 823970492 HMRIMWSUCSFZAZ-NWDGAFQWSA-N 306.366 -0.226 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCOC[C@@H]1CCOC1 825979292 NPPUZDSOHMPGLA-QJPTWQEYSA-N 315.370 -0.205 50 20 DBGD COC(=O)[C@@](C)(CO)N[C@@H](C)C(=O)NNC(=O)CC(C)C 852159930 USCFKPDMFLKMHX-TVQRCGJNSA-N 303.359 -0.918 50 20 DBGD O=C(CN(CCN1CCOCC1)CC1CC1)NNC(=O)C1CC1 852637376 WFPYZPFFBDWUHD-UHFFFAOYSA-N 324.425 -0.412 50 20 DBGD C[C@@H](NC(=S)NNC(=O)C(C)(C)NS(C)(=O)=O)C1CC1 855100406 BBWYTLNSITXMPS-SSDOTTSWSA-N 322.456 -0.392 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)N1)c1cccc(Cl)n1 857324031 AITHUEAQCGUPQZ-ZETCQYMHSA-N 318.742 -0.812 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2O)N1 862458055 WQSLNMSVPHSYMH-ZETCQYMHSA-N 308.250 -0.660 50 20 DBGD COc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1O 862461065 LGVCBFXRTUWIDZ-YVGDHZEHSA-N 319.317 -0.160 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@]2(O)CCc3ccccc3C2)N1 862463085 XVXOPTNCAVTUAE-MLGOLLRUSA-N 317.345 -0.668 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C 863413104 CNWPCIDIPHLTMC-NSHDSACASA-N 311.363 -0.108 50 20 DBGD Cn1cnc2cccc(C(=O)NNC(=O)CS(C)(=O)=O)c21 863465609 CTLBYVCBDMNGIJ-UHFFFAOYSA-N 310.335 -0.621 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@H](N2CCOC2=O)C1 863886769 MCMFCUTWYZVHJQ-SNVBAGLBSA-N 322.101 -0.828 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1nn(C)c2ccccc12 869905803 RBVTYYAWTBPXRT-UHFFFAOYSA-N 320.349 -0.074 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN1CC[C@H](C)C1 897439074 OAZKVKNSELDKTL-RYUDHWBXSA-N 316.402 -0.290 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C2CCOCC2)CC1 1319339263 XQOCVPHURKAAST-GFCCVEGCSA-N 312.414 -0.271 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(S(C)(=O)=O)CC1 1324255794 SNLZLYICJFFLQA-UHFFFAOYSA-N 319.427 -0.311 50 20 DBGD CN(CC(=O)NNC(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1325073484 MCHFPIMJVAXSTN-SNVBAGLBSA-N 303.384 -0.947 50 20 DBGD CC(C)(C)n1nnc(C=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)n1 1549312273 DEFNGSNDEONIOA-GHMZBOCLSA-N 321.385 -0.259 50 20 DBGD O=C(NNC(=O)[C@@H]1NCCOc2ccccc21)c1cnn[nH]1 1580736563 XTRXOEGWNDSKCW-LLVKDONJSA-N 302.294 -0.711 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1ccc(C(=O)O)cc1 1599247263 JXDLDDHEXIZFCF-UHFFFAOYSA-N 310.306 -0.262 50 20 DBGD Cn1cc(NC(=O)NNC(=O)c2cccnn2)cc1C(=O)O 1600965449 BGUOUTDMSRWYFG-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD CCC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841666600 MKPQKLLDWFFYPJ-SECBINFHSA-N 304.774 -0.092 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)ccc1F 126412323 UBTFAHJZRCSRDB-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ncnc2nc[nH]c12 156233100 UXIZACHHEPEOPH-UHFFFAOYSA-N 317.269 -0.009 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)COc1ccccc1O 264566552 GODFFHZINVZIKD-UHFFFAOYSA-N 310.310 -0.810 50 20 DBGD C[C@@H]([C@@H](C)NC(=O)c1ccc(B(O)O)cc1)N1CCOCC1 584942920 ZYUBKICXZDUUHH-NEPJUHHUSA-N 306.171 -0.795 50 20 DBGD CN1CCC(C)(CNC(=O)c2ccc(B(O)O)c(F)c2)CC1 584971581 CGTADVLACCRZPD-UHFFFAOYSA-N 308.162 -0.033 50 20 DBGD Cc1nnc([C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)CCO2)o1 584974285 NFUOUXMWQGJKSR-LBPRGKRZSA-N 317.110 -0.728 50 20 DBGD CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584985381 KXQOJHDRRLEZJS-NSHDSACASA-N 322.145 -0.506 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@@H]1[C@H]1CCCO1 584988294 JZYQJWUWYXKIPY-ZIAGYGMSSA-N 323.129 -0.475 50 20 DBGD O=C1C[C@H](NCc2ccc(B(O)O)o2)CN1CC(F)(F)F 585024794 CUUOURDURKXMDA-ZETCQYMHSA-N 306.049 -0.788 50 20 DBGD COC(=O)c1c(S(=O)(=O)NNC(=O)C(C)C)n[nH]c1C 732045098 BWIGPHPKUKNIBV-UHFFFAOYSA-N 304.328 -0.530 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCO[C@H](C(=O)O)C1 736402626 SFTDBWOUIATCML-UWVGGRQHSA-N 301.343 -0.646 50 20 DBGD Cn1c(N)c(C=NNC(=O)CC2CCCC2)c(=O)n(C)c1=O 749816179 XTIVTBWWQDVAMW-UHFFFAOYSA-N 307.354 -0.303 50 20 DBGD Cn1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763821778 XKQSRSNNCUWLSV-UHFFFAOYSA-N 301.306 -0.389 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)n[nH]1 768275874 CCTBLUGBWDEGEI-JTQLQIEISA-N 307.354 -0.016 50 20 DBGD CC(C)c1nccnc1NNC(=O)CN(C)S(C)(=O)=O 772860523 NTQLBGYEYBTCNC-UHFFFAOYSA-N 301.372 -0.066 50 20 DBGD NC(=O)N1CCC[C@H](C(=O)NNc2cc(Cl)nc(N)n2)C1 773860734 IQJPHDLKDYZYIV-LURJTMIESA-N 313.749 -0.054 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 782478795 UOBFXMIWCVEBFP-UHFFFAOYSA-N 319.343 -0.641 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1 782699520 LRXFYQRRALDWHN-UHFFFAOYSA-N 309.282 -0.758 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cnnn1-c1cccc(F)c1 790637194 VNSHYJOSBNVMEE-UHFFFAOYSA-N 306.301 -0.271 50 20 DBGD CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NNc1ncccn1 798158487 LKCJQJPDSZJTMJ-SECBINFHSA-N 308.342 -0.674 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NC(N)=O)cc1 801107132 MSHWMZHHHYAMMS-QMMMGPOBSA-N 307.310 -0.862 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2C)c1O 806550752 IRCWLSIZZNBLOP-SECBINFHSA-N 307.306 -0.217 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCc3n[nH]cc3C2)CC1 807380568 JOHWIBWUJHARTB-JTQLQIEISA-N 306.370 -0.497 50 20 DBGD Cn1nncc1NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 809909260 VJCNISIKXORUIF-JTQLQIEISA-N 318.293 -0.192 50 20 DBGD O=C(CN[C@H](C1CC1)[C@]1(CO)CCCO1)NNC(=O)C1CC1 815293184 SPPQEQLNIGUDGY-UKRRQHHQSA-N 311.382 -0.547 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 816597149 GSMWYZPMELCPDN-UHFFFAOYSA-N 323.309 -0.113 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 827273237 FXLWBKLTDYHEJT-GBIJROJPSA-N 317.411 -0.007 50 20 DBGD CCC[C@H](C(=O)NNc1cc(Cl)nc(N)n1)S(N)(=O)=O 831988892 URYIJCOWTHYHKD-RXMQYKEDSA-N 322.778 -0.388 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 841999480 CZPLILVXZQMNDD-IMRBUKKESA-N 315.333 -0.515 50 20 DBGD CC(C)C(=O)NNC(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O 842636897 NJWBMYQGBBZMCJ-UHFFFAOYSA-N 300.246 -0.301 50 20 DBGD C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ncccn1)CS2 843910774 ZHTBJWKYCQTENR-OQPBUACISA-N 321.362 -0.308 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCCCCS(N)(=O)=O)n[nH]1 845903680 RNWPFLWLENAHKO-UHFFFAOYSA-N 317.371 -0.672 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862450076 WLSNHCOEMJOMNR-SECBINFHSA-N 306.278 -0.057 50 20 DBGD Cc1cc(=NNC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)cc[nH]1 862513730 LGGLKDMVYIRCDV-GFCCVEGCSA-N 321.381 -0.339 50 20 DBGD Cc1csc(CC(=O)NNC(=S)NCC(=O)N(C)C)n1 918717486 YFQHPWMRBCURET-UHFFFAOYSA-N 315.424 -0.422 50 20 DBGD CC(=O)c1c[nH]c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1115818474 ASOMSBYUYREOLK-MRVPVSSYSA-N 313.335 -0.587 50 20 DBGD C[C@@H](NC(=O)NNc1nncc(N)c1Cl)C(=O)N(C)C 1116628301 KMMQFKZPNRVTQD-RXMQYKEDSA-N 301.738 -0.185 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1([S@@](C)=O)CC1 1116920939 QDWLFBNBRNHKTI-JLTPVHFHSA-N 321.399 -0.721 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)NCC(F)(F)F)nn1 1321175568 ZFCFDQWRCZFOCT-YFKPBYRVSA-N 310.236 -0.776 50 20 DBGD Cn1ccnc(NNC(=O)Cc2ccc(C(N)=O)cc2)c1=O 1324559909 FGKMREVWOYOWOM-UHFFFAOYSA-N 301.306 -0.435 50 20 DBGD O=C(NNC(=O)c1ccc2oc(O)nc2c1)C(=O)NC1CC1 1326637391 VLAQRPHGBCMFET-UHFFFAOYSA-N 304.262 -0.427 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nc(-c2ccccc2)n[nH]1 1330488884 KXEQIWUWXYYVGA-UHFFFAOYSA-N 318.293 -0.525 50 20 DBGD O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cccc(F)n1 1330955332 BQIIPYTYMGXRHE-QMMMGPOBSA-N 315.326 -0.194 50 20 DBGD CO[C@@]1(C(=O)NN=c2cc[nH]cc2Cl)CCS(=O)(=O)C1 1332756991 LTCHYXIKQXAGSI-NSHDSACASA-N 319.770 -0.196 50 20 DBGD Cc1noc(C)c1CCC(=O)NNC(=O)C(=O)N1CCCC1 1338088191 HXKSVFXUXQDISO-UHFFFAOYSA-N 308.338 -0.006 50 20 DBGD Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)NNC(=O)CCN)C2 1579737011 KCDPUBTXVQQPRY-HNNXBMFYSA-N 305.334 -0.037 50 20 DBGD CC1=NO[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 1590163668 VXLAVCWCIDBZPG-SNVBAGLBSA-N 315.293 -0.208 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1cccc(C(=O)O)c1F 1610048212 MYNCFQQTCZQJRK-UHFFFAOYSA-N 319.314 -0.094 50 20 DBGD CC(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841348500 UUNRBMIWVNIBSS-WDEREUQCSA-N 318.801 -0.194 50 20 DBGD CN1CC[C@@H](N(C)CC(=O)NNC(=O)c2ccc(F)cc2)C1=O 265634518 HBDNYJBMDRZURK-GFCCVEGCSA-N 322.340 -0.251 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)oc1C 267514622 LJSWIXRPMUWSRP-UHFFFAOYSA-N 305.312 -0.161 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1cc(C)n[nH]1)C(C)C 268809480 GRAPUUVQOZPDBW-NSHDSACASA-N 311.342 -0.734 50 20 DBGD CN(Cc1nnc2n1CCC2)C(=O)c1cc(B(O)O)ccc1F 584926819 CJZAETUTICLFFM-UHFFFAOYSA-N 318.117 -0.685 50 20 DBGD C=CCN1CC[C@@H](N(C)C(=O)c2cccc(B(O)O)c2)C1=O 584985723 QFDGOGQEAGKODR-CYBMUJFWSA-N 302.139 -0.775 50 20 DBGD CN(Cc1ccncc1)C(=O)CNCc1ccc(B(O)O)cc1 585021684 NHAJWECRNZODDX-UHFFFAOYSA-N 313.166 -0.490 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccc(OCC(N)=O)cc1 731279990 CACHSZJIKKKDFP-UHFFFAOYSA-N 310.310 -0.260 50 20 DBGD CO[C@H](C)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 749562351 DDMTUQQUNDPZCF-SECBINFHSA-N 304.310 -0.152 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)Nc1ncn(CC(=O)N(C)C)n1 756770758 NESDBXQIZHRAFT-QMMMGPOBSA-N 311.346 -0.435 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)NC1CCCCC1 758060799 OMGWQWMEQCCZTI-UHFFFAOYSA-N 306.388 -0.411 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)cnc1C 793386170 UZORRWSMGVYDPX-UHFFFAOYSA-N 316.339 -0.359 50 20 DBGD CCc1ccc(C(=O)NNC(=O)NCC(=O)NCC#N)cc1 807554874 OHSPQHCAPPCNCK-UHFFFAOYSA-N 303.322 -0.167 50 20 DBGD COC(=O)CSCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825943154 ZKQPKHRULMQWCP-IUCAKERBSA-N 319.383 -0.352 50 20 DBGD Cc1cc(S(N)(=O)=O)oc1C(=O)NNC(=O)C1CCC1 827216081 JZTDXCUQPKGMRU-UHFFFAOYSA-N 301.324 -0.203 50 20 DBGD C[C@@H]1CN(C)C(=O)CN1CC(=O)NNC(=O)c1ccc(F)cc1 839574215 JJZZZJURBQJSBH-SNVBAGLBSA-N 322.340 -0.251 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842588867 FEMUFVOPFOZPDT-RKDXNWHRSA-N 322.383 -0.439 50 20 DBGD Cc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 861945931 FXTQEHMUTPRFGZ-SECBINFHSA-N 322.296 -0.501 50 20 DBGD CN(CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)c1cccs1 862450824 BTPIFDHZFODRFD-QMMMGPOBSA-N 324.362 -0.754 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1cccc(C)n1 862522317 PXXUXIKCFFCPCF-UHFFFAOYSA-N 316.383 -0.211 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)NCC(F)(F)F)cn1 868027027 DDNDUPZBTYWAEZ-UHFFFAOYSA-N 322.291 -0.049 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]1(OC)CCSC1 900807301 CAGCCIQAGSTKGA-CYBMUJFWSA-N 317.411 -0.039 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccnc(OCCO)c1 1118486643 ITTWIRWLZNLYAC-UHFFFAOYSA-N 324.337 -0.415 50 20 DBGD CO[C@@H](C)CCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1261295950 MQUGFFUCVZQFCP-VIFPVBQESA-N 309.326 -0.225 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cnc2sccn2c1=O 1318043422 VVWLXFRDKYBKNX-UHFFFAOYSA-N 323.334 -0.557 50 20 DBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(C)=O)c(C)c1 1321132654 QMPXPBKSLVKYTN-UHFFFAOYSA-N 322.321 -0.774 50 20 DBGD CCCNC(=O)CNC(=O)NNc1nncc(N)c1Cl 1322632686 IOAPWZMATIENIK-UHFFFAOYSA-N 301.738 -0.136 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(Cl)cn1 1330265492 LTPIURHBHRAFLC-UHFFFAOYSA-N 305.743 -0.531 50 20 DBGD COc1cc(C)nc(NNC(=O)c2cn(C)c(=O)nc2O)n1 1330444139 CMDRPEMKKHPCGS-UHFFFAOYSA-N 306.282 -0.650 50 20 DBGD Cc1nc(C)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]1 1334735194 RRBHQDZZANURNH-MRVPVSSYSA-N 300.340 -0.778 50 20 DBGD Cc1cnn(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1337643543 ARICGDVDBHTRAQ-SNVBAGLBSA-N 314.367 -0.836 50 20 DBGD O=C(NNC(=O)c1cccnn1)c1ccc(-c2nn[nH]n2)nc1 1582561399 CTNZWQGXGDPMNS-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 1588573334 BWIHVPWMJJGZNE-MRVPVSSYSA-N 304.306 -0.016 50 20 DBGD CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(=O)OC 1590369188 SMKGELHFMLNNFI-MRVPVSSYSA-N 305.298 -0.096 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)O)c1ccc2c(c1)CC(=O)N2C 1593101780 KTHBDQWDYUWRKI-ZETCQYMHSA-N 320.305 -0.319 50 20 DBGD O=C(O)c1cn(C2CN(S(=O)(=O)CCCCl)C2)nn1 1608963051 RXSOZTQMKBLDQI-UHFFFAOYSA-N 308.747 -0.208 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)[nH]n1 111543426 SXHRBMPNLOVNHC-QWRGUYRKSA-N 309.370 -0.022 50 20 DBGD CN1CCO[C@H](C(=O)NNc2nc3ccccc3c(=O)[nH]2)C1 137184242 XHOLNFALSPJNFG-NSHDSACASA-N 303.322 -0.303 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnsn2)C[C@H](C)O1 264819285 HFNNXRHEQBHOGJ-IUCAKERBSA-N 313.383 -0.202 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2cccnn2)C1 265585373 ZANUYBWWEZNQGA-SNVBAGLBSA-N 313.383 -0.019 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1OCCc2ccccc21 269678971 XPRNSNRXAIVAQI-LBPRGKRZSA-N 305.334 -0.028 50 20 DBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NN(C)C(N)=O 271240724 BISVWHFPLUOADW-LURJTMIESA-N 306.369 -0.543 50 20 DBGD Cc1cc(N(C)C)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 274061055 LLLOZODBMIDWAD-UHFFFAOYSA-N 321.381 -0.291 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 366845922 FBPBFBOFZSARDS-MXWKQRLJSA-N 322.365 -0.447 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)N1CCOCC1 490894549 OWSCLCYVWCWFJE-SECBINFHSA-N 316.358 -0.027 50 20 DBGD CC(C)[C@@H](C(=O)Nc1cccc(B(O)O)c1)N1CCCC1=O 584909433 DAKVYHUZBCQRQC-AWEZNQCLSA-N 304.155 -0.048 50 20 DBGD CCN(CC)C(=O)CCCNC(=O)c1cc(B(O)O)ccc1F 584946544 ULHDQAUONZGDSD-UHFFFAOYSA-N 324.161 -0.116 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584960074 ODRJYXVSTUYBEI-JTQLQIEISA-N 308.118 -0.754 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C)CN1CCO 585000055 IWMXGDLSPJSOSH-QWRGUYRKSA-N 324.161 -0.967 50 20 DBGD CC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(B(O)O)ccc1F 585005848 NPGSJKZJZMBYFP-GFCCVEGCSA-N 308.118 -0.802 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@@H]2N1 585008168 UFGJJLCEXBEPHX-YPMHNXCESA-N 302.139 -0.893 50 20 DBGD O=C(c1ccoc1)N1CCC(NCc2ccc(B(O)O)o2)CC1 585018102 QGNVKOIDNLWQBB-UHFFFAOYSA-N 318.138 -0.053 50 20 DBGD COc1ccc(CNC(=O)CNCc2ccc(B(O)O)o2)cc1 585019405 LUWQNSHCSNACIO-UHFFFAOYSA-N 318.138 -0.626 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNCc2ccccc2B(O)O)O1 585035751 XPWSNVPRSCYCGL-TZMCWYRMSA-N 306.171 -0.908 50 20 DBGD O=C1c2ccccc2CCN1CCNCc1ccc(B(O)O)o1 585037457 YMJVVDDIWJGZIN-UHFFFAOYSA-N 314.150 -0.253 50 20 DBGD COCCNC(=O)c1cccc(NCc2ccc(B(O)O)o2)c1 585039947 CMYQRMWJMOGMLY-UHFFFAOYSA-N 318.138 -0.052 50 20 DBGD O=C(CN1CCSC[C@H]1CO)NNC(=O)c1cccs1 689206756 OJDOVHLLWVBTPE-SECBINFHSA-N 315.420 -0.081 50 20 DBGD Cn1cc(C=NNC(=O)Cc2cccnc2)c(=O)n(C)c1=O 728786531 LMXXMQLHYARNOI-UHFFFAOYSA-N 301.306 -0.828 50 20 DBGD Cc1cc(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)nc(C)n1 736717008 RQQZXLQSAHIEOZ-UHFFFAOYSA-N 314.309 -0.379 50 20 DBGD Cc1[nH]nc(S(=O)(=O)NNC(=O)CC(C)C)c1C(=O)O 738828642 HSLBDENGMVDSPL-UHFFFAOYSA-N 304.328 -0.228 50 20 DBGD Cn1cccc1CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 745925023 BLIDSGICWWATMP-LBPRGKRZSA-N 300.384 -0.094 50 20 DBGD CN(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 749590744 NQFBEBZASJOHAF-WDEREUQCSA-N 311.386 -0.532 50 20 DBGD O=C(CO)NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2 753439515 OVJMEQSNCKKFCR-UHFFFAOYSA-N 304.262 -0.441 50 20 DBGD CN(NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(N)=O 770437983 GXMOESARBRGNIH-UHFFFAOYSA-N 301.306 -0.053 50 20 DBGD CN(NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(N)=O 778412852 SUWDOHNIOGKXMA-UHFFFAOYSA-N 301.306 -0.002 50 20 DBGD CS(=O)(=O)CCn1ccc(NC(=O)NN=c2cc[nH]cc2)n1 782050120 JVKNNDGBBILZRE-UHFFFAOYSA-N 324.366 -0.107 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1cc[nH]n1)N(C)CC(F)(F)F 793447497 OAFNUIYOWDNHFY-ZETCQYMHSA-N 307.276 -0.018 50 20 DBGD CC[C@@](C)(OC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 797711148 FSUXEYDQGGAPEL-GZMMTYOYSA-N 307.372 -0.681 50 20 DBGD O=C(CN[C@@]1(CO)CCOc2ccccc21)NNC(=O)C1CC1 799338204 YHNXULJBZLTWRA-MRXNPFEDSA-N 319.361 -0.196 50 20 DBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802031207 FGOHPKBLLANBIU-VHSXEESVSA-N 305.338 -0.052 50 20 DBGD Cn1nccc1COCC(=O)NNc1ncnc2[nH]cnc12 806892531 HOTVKRJPOFQQLU-UHFFFAOYSA-N 302.298 -0.254 50 20 DBGD CN(C)c1nccc(NNC(=O)[C@@H]2CCc3nnn(C)c3C2)n1 810427891 SFGVZPHBUVUDDI-SECBINFHSA-N 316.369 -0.081 50 20 DBGD CO[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826903788 WEBJPNZANKHXLH-WISYIIOYSA-N 315.370 -0.207 50 20 DBGD NC[C@H]1OCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1 852864921 MDLBRBQRPOISQX-VHSXEESVSA-N 304.310 -0.062 50 20 DBGD NC(=O)[C@@H](Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CCC(=O)N1 863379196 QGFBDAZCQJBUGC-GHMZBOCLSA-N 324.768 -0.364 50 20 DBGD CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863412338 DCXCTAXUWJBDPR-UWVGGRQHSA-N 321.399 -0.723 50 20 DBGD COC[C@](C)(CO)NCC(=O)NNC(=O)c1cccc(C)c1 879162865 NXSXOPHNQRJBOL-HNNXBMFYSA-N 309.366 -0.257 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc(O)ncc1Br 894135700 ZNLQKDFZFOUJJR-UHFFFAOYSA-N 317.143 -0.128 50 20 DBGD CN(C)N(C(=O)CNc1ccccn1)[C@H]1CCS(=O)(=O)C1 908281347 SMXOJNQZKXOKBU-NSHDSACASA-N 312.395 -0.014 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(OC)ncn1 929425839 BWODJNWSHDGHRZ-UHFFFAOYSA-N 313.383 -0.027 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCc2cccnc21 1117763255 CNXROCDVVJAKBR-QWRGUYRKSA-N 323.374 -0.307 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn(CC2CC2)c1 1254905637 PMJUZUSNCDTSIC-UHFFFAOYSA-N 309.326 -0.585 50 20 DBGD CC[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(=O)OC 1256706191 RFDAIYXBEVQPEL-QMMMGPOBSA-N 308.294 -0.633 50 20 DBGD COc1cccc(C(=O)NNC(=O)CO[C@@H]2CCOC2)c1O 1319359981 IJTCTPXPRLOVRQ-SECBINFHSA-N 310.306 -0.033 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1csc([C@H](C)OC)n1 1319492045 LFHDJISRDYCENJ-LURJTMIESA-N 316.339 -0.146 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cnc2ccccc2c1 1320236999 JARFEHRNSQPZLU-UHFFFAOYSA-N 302.290 -0.297 50 20 DBGD O=C(CCCn1ccccc1=O)NNC(=O)C(=O)NC1CC1 1322945610 ZNFDMCMTASQRJZ-UHFFFAOYSA-N 306.322 -0.946 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)C(=O)N1CCCC1 1326359468 SPIPZSGKKUBFDI-SNVBAGLBSA-N 317.349 -0.649 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ncoc1C(F)(F)F 1327731058 AHEGSEWZSHSXSQ-UHFFFAOYSA-N 308.216 -0.021 50 20 DBGD O=C1COc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccc2N1 1329077465 DUMIHZMSSGUMBQ-VIFPVBQESA-N 318.289 -0.943 50 20 DBGD CS(=O)(=O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)cs1 1329216694 ZNOVQZZBGCYITJ-QMMMGPOBSA-N 303.170 -0.160 50 20 DBGD C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1cnn(C)c1 1330236926 OPIHDRSPYCRYJC-CABZTGNLSA-N 315.399 -0.138 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc2c[nH]nc2c1 1342495890 MCAOMVKDZDCMJL-UHFFFAOYSA-N 305.294 -0.391 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1nccnc1C(C)C)C(N)=O 1343884416 LVVIEZOZAOIUOB-VIFPVBQESA-N 308.342 -0.577 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CCN(CC#N)CC1 1349060981 FAUPOPYEDDQRRH-PWSUYJOCSA-N 309.370 -0.270 50 20 DBGD COc1c(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cnn1C 1579871028 FUMKKNPMGKNFEI-UHFFFAOYSA-N 315.297 -0.239 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C(=O)O1 1590199435 KHUFRNCUYQTUDR-HTRCEHHLSA-N 318.297 -0.408 50 20 DBGD O=C(NCC(F)F)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 1593010510 OBYATLPZHMOGMC-UHFFFAOYSA-N 311.252 -0.309 50 20 DBGD COc1cccc([C@H](NNC(=O)[C@H]2COCCO2)C(=O)O)c1 1599659739 NLWGNVAZVXGWKZ-NEPJUHHUSA-N 310.306 -0.143 50 20 DBGD Cn1cc(C[C@@H](O)C(=O)NNc2ccc(C(=O)O)cn2)cn1 1600945636 AKMXBIFKPNLTSE-SNVBAGLBSA-N 305.294 -0.440 50 20 DBGD CN1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1=O 1604848883 IIKPXOIWJSUOKE-QMMMGPOBSA-N 316.325 -0.427 50 20 DBGD O=C(O)c1coc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1608987318 MVNSKAUYTNOVNR-ZETCQYMHSA-N 300.292 -0.137 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CC(=O)N(C2CCCCC2)C1 1610699011 ARXPDNLFUOWWSB-QMMMGPOBSA-N 312.326 -0.665 50 20 DBGD CC(C)[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 182257511 VTHDYOCGYWUAQB-CQSZACIVSA-N 318.377 -0.096 50 20 DBGD O=C(NNC(=O)C1(C(=O)NNC(=O)C2CC2)CCC1)C1CC1 268469771 FYKCXHMOTVTICH-UHFFFAOYSA-N 308.338 -0.729 50 20 DBGD O=C1CCCN1C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 585008084 GBGAQRKNNTYZRM-GFCCVEGCSA-N 316.166 -0.549 50 20 DBGD C[C@H](NS(C)(=O)=O)c1nc(-c2ccc(B(O)O)cc2)no1 585050692 HSZYCAAEUSWULY-ZETCQYMHSA-N 311.128 -0.973 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NCC(=O)NC2CC2)c1 728954920 SNQUCVVLBIFETN-UHFFFAOYSA-N 301.306 -0.219 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2cccc(C(N)=O)c2)cn1 735509157 AIQYURUSVHFJNE-UHFFFAOYSA-N 302.294 -0.015 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC(C)C)cc1S(N)(=O)=O 745206225 ZIFRVJNWPOLFHC-UHFFFAOYSA-N 314.367 -0.005 50 20 DBGD NC(=O)c1nccnc1C(=O)NNC(=O)Cc1ccccc1F 746240102 VURCJOUMGZVJDP-UHFFFAOYSA-N 317.280 -0.282 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 754958029 LLOAIEUTXXTMSW-FZMZJTMJSA-N 310.306 -0.629 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)COc1ccc(C#N)cc1 754972864 CSFSHTRJKLDWOX-CQSZACIVSA-N 307.306 -0.518 50 20 DBGD C[C@H](OCC1CC1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758829676 GBORSKGJPQTDCW-VIFPVBQESA-N 306.322 -0.017 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](C)O[C@@H](CO)C2)c1 787314254 FBLHAVHJDPCDII-TZMCWYRMSA-N 321.377 -0.162 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNc1ncccc1C 791217251 OOKIMQMBBYPYFU-UHFFFAOYSA-N 307.354 -0.134 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CC(C)(C)O)C[C@H](C)O1 792628290 FVMVLOUENZKRIZ-QWRGUYRKSA-N 301.387 -0.206 50 20 DBGD CC1CCN(C[C@H](C)C(=O)NN=C2C(=O)NC(=O)NC2=O)CC1 814216159 ACAKWSQQJAMQKD-VIFPVBQESA-N 323.353 -0.807 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCC(=O)O 819110952 FPUVIGSBWBWFBR-UHFFFAOYSA-N 306.278 -0.258 50 20 DBGD CC(C)NC(=O)NNC(=O)[C@@H]1COCCN1CC(F)(F)F 822844619 NQCIGIVXIAMCIB-QMMMGPOBSA-N 312.292 -0.012 50 20 DBGD O=C(Cn1cccn1)NNC(=O)c1ccc(-n2cnnn2)cc1 842471283 TWYCKBQOWZVJJY-UHFFFAOYSA-N 312.293 -0.680 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCc2nnnn2CC1 845296029 GGHAHUKUUZHZCU-SECBINFHSA-N 319.325 -0.251 50 20 DBGD COC(=O)COCC(=O)NNC(=O)COc1ccc(F)cc1 854215286 FCNFTSUCBKSDIH-UHFFFAOYSA-N 314.269 -0.459 50 20 DBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CC(=O)N2)cc1 854221097 GOUSODCQTHKBLP-CABZTGNLSA-N 321.333 -0.112 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCc3nn[nH]c32)CC1 854382694 IXBSLPVEWADTQI-VIFPVBQESA-N 307.358 -0.787 50 20 DBGD CNC(=S)N(C)NC(=O)c1nnn(-c2cnn(C)c2)c1C 854927405 GZRKZLVMSHBOTL-UHFFFAOYSA-N 308.371 -0.610 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)N1 858697749 VKBXDGMESIPHEL-ONGXEEELSA-N 320.353 -0.392 50 20 DBGD CN1CCN(c2ncc(C=NNC(=O)c3cn[nH]c3)cn2)CC1 863154636 HKIIDNKUEODQLS-UHFFFAOYSA-N 314.353 -0.285 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2cn[nH]c2)C[C@H](C)O1 863854070 ITCBITLFNOHGOC-RYUDHWBXSA-N 323.397 -0.011 50 20 DBGD CCOC(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 863873272 DMBFJMIRWYCDSD-UHFFFAOYSA-N 305.139 -0.170 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ncccc2N(C)C)CC1 908055218 LKFCKQIIZGVDKG-UHFFFAOYSA-N 306.370 -0.251 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1OCCN(C)C1=O 908273775 FRYHGGDCOAZRRX-CYBMUJFWSA-N 321.333 -0.758 50 20 DBGD NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)C2CC2)c1 913415778 IHBRQEMCGFVXRY-UHFFFAOYSA-N 301.299 -0.356 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)N[C@H]1CCS(=O)(=O)C1 919889258 KHBHTEYIPRCWFM-NAKRPEOUSA-N 315.395 -0.060 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1 929243077 RGJSMXUJHUZULY-NSHDSACASA-N 322.394 -0.097 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1118208164 BSOCQFOEILCFMV-UWVGGRQHSA-N 323.353 -0.499 50 20 DBGD O=C(NNC(=O)N1CCN(c2cnccn2)CC1)c1cn[nH]c1 1118810507 JFXRSQRQWZOIQO-UHFFFAOYSA-N 316.325 -0.624 50 20 DBGD Cn1nc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1C(F)F 1262355198 MJJFLRKMVDAEMD-UHFFFAOYSA-N 315.280 -0.259 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCN1CCCCCC1=O 1319004832 YAXSOGSZTXARMP-UHFFFAOYSA-N 314.342 -0.718 50 20 DBGD C[C@@]1(NNC(=O)N[C@H]2CCCOCC2)CCS(=O)(=O)C1 1320081881 WSDIEMLPDGNPSE-CMPLNLGQSA-N 305.400 -0.064 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1nc(C)no1 1323117365 PXKNNUCCJKWESK-UHFFFAOYSA-N 311.342 -0.237 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1326765616 VSHVBLJTQPEUTJ-LLVKDONJSA-N 311.363 -0.404 50 20 DBGD Cc1nnc(CNC(=O)NNc2nc3ccccn3n2)n1C 1338914996 DVNSZPUAQFJGOQ-UHFFFAOYSA-N 301.314 -0.007 50 20 DBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@H]1COCCO1 1339454733 QEDLUIIUYYNFAW-SECBINFHSA-N 301.324 -0.808 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1ccccc1F 1346470924 GSTNVRQUBBLGCJ-RISCZKNCSA-N 320.368 -0.096 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)OCC(F)(F)F 1352443162 JGIDCKJEERZIBP-HTQZYQBOSA-N 310.276 -0.306 50 20 DBGD Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCN2)cc1C 1579662530 QUFYKNPXJIQCQU-LBPRGKRZSA-N 304.350 -0.457 50 20 DBGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)[C@H]1CCCNC1 1580509218 SYPXCKGGXAKOPE-UWVGGRQHSA-N 301.368 -0.918 50 20 DBGD Cc1c[nH]nc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1591834049 PBIRWXRJFMASIH-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD N#CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1592677662 DMAKHXNOWRXVBG-UHFFFAOYSA-N 300.282 -0.276 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1594702120 BLCQTYZHBUZWEP-DTORHVGOSA-N 323.305 -0.035 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)c1ncon1 1594783324 ZSEHFXUPWCXRHM-UHFFFAOYSA-N 300.296 -0.571 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC(C)(C)CC(=O)O)ccc1=O 1600933213 XVNPRFWWRJVWGB-UHFFFAOYSA-N 324.337 -0.170 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1609323356 VDLFZQNOMJIVPH-UHFFFAOYSA-N 309.286 -0.560 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN[C@@]1(CC(=O)O)CCCOC1 1609653437 VJOCAKBRJDLXJM-CQSZACIVSA-N 315.370 -0.207 50 20 DBGD CNC(=O)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776038953 XWJMEUDOKSIDCO-UHFFFAOYSA-N 314.323 -0.688 50 20 DBGD C[C@H](CN)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842866260 WBIZKJYQIZNDKF-ZJUUUORDSA-N 303.790 -0.616 50 20 DBGD O=C(NN/C=C1/C(=O)NC(=O)c2ccccc21)C(=O)NC1CC1 16721254 DDKRWBBXVZFHIO-YRNVUSSQSA-N 314.301 -0.803 50 20 DBGD CCc1ccc(C(=O)NNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 18095585 NPVKJQYXWTWVQQ-UHFFFAOYSA-N 316.317 -0.440 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CCNC(N)=O)c1 61482658 AIGOFUSCPZWQOO-UHFFFAOYSA-N 308.338 -0.112 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccnc(Cl)c1 264160795 SOFWGEMIXSICBI-LURJTMIESA-N 320.758 -0.566 50 20 DBGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)CO)CC1=O 373199784 CCJRAKZLDOZBSQ-JTQLQIEISA-N 321.333 -0.504 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CCOC1 491549842 ODDWRIJKAAGYBK-SECBINFHSA-N 316.358 -0.122 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)CN(C)C)C2 496114004 HOTPAEZOUWIGJH-DCAQKATOSA-N 310.354 -0.662 50 20 DBGD N#CCCN(C[C@@H]1CCOC1)C(=O)c1ccc(B(O)O)c(F)c1 584941461 COFKOLBUUWDCND-NSHDSACASA-N 320.129 -0.102 50 20 DBGD C[C@H]1COCCN1C[C@@H](C)NC(=O)c1ccc(B(O)O)cc1 584942395 USTRIUWYVFOZSN-NEPJUHHUSA-N 306.171 -0.795 50 20 DBGD CS(=O)(=O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584962564 NUZYSLVFJPDCJT-UHFFFAOYSA-N 311.168 -0.984 50 20 DBGD CC(=O)N1CC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)C1 585050903 PGSPFDOWWLHLQM-LLVKDONJSA-N 301.111 -0.248 50 20 DBGD O=S1(=O)CCC[C@@H]1c1nc(-c2ccc(B(O)O)cc2)no1 585051601 JXQAVPWADNQISD-SNVBAGLBSA-N 308.124 -0.334 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)c(O)c1 728437934 YLFSYXCBGBBHMM-SSDOTTSWSA-N 301.324 -0.514 50 20 DBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)C1CCC1 732143627 BCJTUQDLCCLUKB-UHFFFAOYSA-N 315.395 -0.474 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)COC2CCOCC2)n1 735269095 BDGRTQZZNWPJHD-UHFFFAOYSA-N 310.354 -0.157 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCN(C)C2=O)cc1 738332148 LOLWGJIRGWTQOW-CYBMUJFWSA-N 318.377 -0.081 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CSCC(=O)O)cc1 740319389 REBMPJWGZLNFDC-UHFFFAOYSA-N 323.330 -0.098 50 20 DBGD CCc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)on1 741426728 VOOLRIGNHBIJCB-UHFFFAOYSA-N 309.326 -0.310 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2cccc([N+](=O)[O-])c2)C1=O 748002092 MNTKLGNNMMDCAJ-UHFFFAOYSA-N 321.249 -0.542 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 753265257 XEKLWPZCBINVLC-VIFPVBQESA-N 319.358 -0.290 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1ncccc1[N+](=O)[O-] 759290780 GSQGVKZAAQGPBZ-UHFFFAOYSA-N 315.311 -0.532 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)o1 759773333 DSPHLTTWZOUFDK-IUCAKERBSA-N 310.310 -0.435 50 20 DBGD COc1nccnc1NNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O 791225855 QRWQEUOLMBFAKJ-SFYZADRCSA-N 302.356 -0.003 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C 827259227 HSGFZZZEKDBOKS-LMLFDSFASA-N 313.354 -0.107 50 20 DBGD COc1ccc2c(c1)C(=NNC(=O)C(=O)NC1CC1)C(=O)N2C 844573276 YRDDWSKFAXLQHX-UHFFFAOYSA-N 316.317 -0.230 50 20 DBGD COCc1nccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 861213123 IAWYRILLZRYCAC-SSDOTTSWSA-N 308.298 -0.946 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1OCCc2ccccc21 863464164 ITJOVCUYAAIMGI-GFCCVEGCSA-N 312.347 -0.508 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)NCC1CC1 1115992469 YWMRUQYLAABEKL-UHFFFAOYSA-N 318.337 -0.386 50 20 DBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)CN(C)C 1116056617 GYXYJHNFGRJIFW-UHFFFAOYSA-N 307.310 -0.842 50 20 DBGD CN(C)N(C(=O)C[C@@H]1CCCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1117486694 XWKMLTLQIZKNDT-WDEREUQCSA-N 317.411 -0.463 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)CC(F)(F)F 1318482457 AJVRZQNUIHXLJG-RXMQYKEDSA-N 305.278 -0.298 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cccc(CS(C)(=O)=O)c1 1318572024 CCZOABJSQYQYOD-UHFFFAOYSA-N 313.379 -0.446 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 1320510458 MDOZJYQHWRXEBP-UHFFFAOYSA-N 303.282 -0.842 50 20 DBGD COc1c(F)cc(F)cc1NC(=O)C(=O)NNC(=O)CCO 1320521184 PXPUQJZXOPCPMK-UHFFFAOYSA-N 317.248 -0.558 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 1321075206 UFXQYZJAALPOJX-UHFFFAOYSA-N 309.325 -0.966 50 20 DBGD COC(=O)NNS(=O)(=O)c1cnn(CC(F)(F)F)c1 1324139017 JZKWAECKULZPNG-UHFFFAOYSA-N 302.234 -0.005 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCCCCS(N)(=O)=O 1326830636 BELJPJXFEROHFV-NXEZZACHSA-N 321.399 -0.592 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1328629940 LQLBLDUKNVMNJV-NSHDSACASA-N 305.338 -0.330 50 20 DBGD CCOCCO[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1328804580 TYYJFICSEOQMCQ-NSHDSACASA-N 311.342 -0.109 50 20 DBGD CCn1nc(C(C)C)cc1C(=O)NNC(=O)CS(C)(=O)=O 1329126063 DKVHZYXRLNLMRL-UHFFFAOYSA-N 316.383 -0.168 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](N)C2)C[C@H]1Br 1331388920 UVRQCBSSYQBTND-XLDPMVHQSA-N 304.188 -0.164 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCCO2)[nH]n1 1335285682 RGIIMRSDYHHFLE-SSDOTTSWSA-N 311.298 -0.927 50 20 DBGD Nc1cnnc(NNC(=O)CO[C@@H]2CCCNC2)c1Cl 1349418044 OOASCFXDGKLOMK-SSDOTTSWSA-N 300.750 -0.076 50 20 DBGD C=CC(=O)N(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1588466776 NRIFYXNTZXZWEA-UHFFFAOYSA-N 302.298 -0.651 50 20 DBGD C[C@@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC(=O)N1 1591759031 REKSLEMBWRKDRD-ZDUSSCGKSA-N 301.310 -0.022 50 20 DBGD N#Cc1ccc(NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)nc1 1605612431 LSLRGBYAIIBHKI-SNVBAGLBSA-N 317.305 -0.280 50 20 DBGD CC(C)Oc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccn1 1609712611 PHCXOWRVCXYIGO-UHFFFAOYSA-N 310.266 -0.961 50 20 DBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CC1=O 267676227 PPCMDRCZBBEOCD-JTQLQIEISA-N 308.342 -0.627 50 20 DBGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NN(C)C(N)=O)C2=O 272223762 ULHFJUXTCUSNQC-ISVAXAHUSA-N 311.342 -0.471 50 20 DBGD CCNC(=O)N(C)NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C 272706610 WJZLWZIIAHYZMN-UHFFFAOYSA-N 320.353 -0.126 50 20 DBGD CCNS(=O)(=O)c1ccc(CC(=O)NN(C)C(N)=O)cc1 273923604 VEOMKCHYOCZVRB-UHFFFAOYSA-N 314.367 -0.431 50 20 DBGD CCNS(=O)(=O)c1ccc(CC(=O)NNc2nnc[nH]2)cc1 294091993 ZPZAGZHHOGSZMV-UHFFFAOYSA-N 324.366 -0.211 50 20 DBGD Cn1c(CC(=O)NNC(=O)[C@H]2COCCO2)nc2ccccc21 298405538 HRMOHAOMYWXITP-GFCCVEGCSA-N 318.333 -0.321 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 377205364 BJJLDEUFNQWWCT-NWDGAFQWSA-N 306.370 -0.488 50 20 DBGD CC(C)[C@H](C(=O)Nc1cccc(B(O)O)c1)N1CCCC1=O 584909434 DAKVYHUZBCQRQC-CQSZACIVSA-N 304.155 -0.048 50 20 DBGD CCNC(=O)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584980478 APTNIKXFIUSESK-UHFFFAOYSA-N 322.145 -0.458 50 20 DBGD CN(CCCNC(=O)C1CCC1)C(=O)c1cccc(B(O)O)c1 584981335 CCMUJFVIRIGYEM-UHFFFAOYSA-N 318.182 -0.255 50 20 DBGD C[C@@H]1CN(CCCNC(=O)c2cccc(B(O)O)c2)CCCO1 584981589 FCNIHPNEZIXCQW-CYBMUJFWSA-N 320.198 -0.403 50 20 DBGD CCCN1C[C@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1=O 584999095 CZXVQBAGIRLRSP-JTQLQIEISA-N 322.145 -0.506 50 20 DBGD O=C(N[C@H](CO)[C@H]1CCCOC1)c1cc(B(O)O)ccc1F 585002130 NLTQSUYBPFTSSD-TVQRCGJNSA-N 311.118 -0.977 50 20 DBGD CN(C)CCN1CCC(CNCc2ccccc2B(O)O)CC1 585021883 FBZCIRCQULLJDU-UHFFFAOYSA-N 319.258 -0.270 50 20 DBGD OB(O)c1ccc(CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)o1 585039219 QIHHHTOTTASVET-SGNAJVHESA-N 315.178 -0.442 50 20 DBGD C[C@H]1CN(CCNC(=O)NNC(=O)Cc2cccnc2)CCO1 729050365 TZXRXWCOKNIISD-LBPRGKRZSA-N 321.381 -0.325 50 20 DBGD Cc1ccc(NNC(=O)NCCCN2C(=O)CNC2=O)nn1 731046705 XTXQZCKCDAOBKZ-UHFFFAOYSA-N 307.314 -0.647 50 20 DBGD O=C(COC(=O)[C@@H]1C[C@@H]1C(=O)O)NNC(=O)c1cccs1 739319282 IKUHYYIGOCAFIA-NKWVEPMBSA-N 312.303 -0.227 50 20 DBGD C[S@@](=O)CCNC(=O)NNC(=O)COc1ccc(F)cc1 745849298 PINVFABGMYFWEB-OAQYLSRUSA-N 317.342 -0.087 50 20 DBGD C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)N1CCOCC1 745995968 FXFMPAGAJTVQQX-MNOVXSKESA-N 301.343 -0.357 50 20 DBGD Cn1ncc(C(=O)NNC(=O)COc2ccccc2O)c1N 758114058 UXQFIBZROUNLBA-UHFFFAOYSA-N 305.294 -0.452 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCN(C)C2=O)cc1OC 771861724 ZGRWSWLNXOGSAY-JTQLQIEISA-N 321.333 -0.057 50 20 DBGD C[C@H]1CCNC(=O)[C@H]1NC(=O)NNC(=O)Cc1ccncc1 799398874 VPCJZQVNIQYCTL-CABZTGNLSA-N 305.338 -0.521 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(C)n(C)n1 799877218 QZLZDEVWKNXUQI-SNVBAGLBSA-N 313.383 -0.061 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C#N)c(O)c2)CC1 807379399 YLAAHSFINVILDM-UHFFFAOYSA-N 303.322 -0.134 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1c[nH]nc1I 823718830 MZFCLFCIOONPPY-RXMQYKEDSA-N 324.122 -0.028 50 20 DBGD CCN(CCO)NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 823834023 OUEIPIYNTXGQFF-QJPTWQEYSA-N 311.382 -0.105 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)N2CCOCC2)[C@@H]2CCCC[C@@H]2N1 824621915 YOILHHKFLGICRI-SRVKXCTJSA-N 324.381 -0.246 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826602275 CZDFUFBCCLYIJZ-LPEHRKFASA-N 300.359 -0.391 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1F 833734220 OWKCOZGWFXRBEK-UHFFFAOYSA-N 321.286 -0.589 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)nc1C 847673390 FRZZWFAUTIBWCT-DTWKUNHWSA-N 321.337 -0.084 50 20 DBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)[C@H]1CCCCO1 848158732 XNLJBEFZDMQTAZ-GFCCVEGCSA-N 307.354 -0.127 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1COCCN1CC(F)(F)F 854921703 XIUOHNJVJWHDHT-ZETCQYMHSA-N 314.333 -0.283 50 20 DBGD CC(C)CO[C@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858698021 XDBCIOZUMQHAHH-WDEREUQCSA-N 312.370 -0.247 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCN1C1CCCC1 862468051 ANIXTMIRWPYREU-SNVBAGLBSA-N 303.384 -0.805 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(Cn2ccnn2)cc1 863865243 OHZVOSQKXLBXPJ-UHFFFAOYSA-N 302.338 -0.351 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCc2cncn2C1 913732873 LZMCBTLEKJTYCT-JTQLQIEISA-N 305.338 -0.785 50 20 DBGD COc1cc(C(=O)NNC(=O)c2cnn[nH]2)cc(OC)c1OC 918277264 BGDJXJISQGMXBZ-UHFFFAOYSA-N 321.293 -0.095 50 20 DBGD COc1ccc(C(=O)NNC(=O)NCCS(C)(=O)=O)cc1 1318241905 XTRXIGHWGBFADH-UHFFFAOYSA-N 315.351 -0.316 50 20 DBGD O=C(Cc1ccco1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319282488 MLOLZTAXLYZZJB-QMMMGPOBSA-N 301.324 -0.660 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccccn2)cc(O)n1 1319866492 GAPLOKDHLIGJQH-UHFFFAOYSA-N 315.289 -0.110 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 1320224495 SCEDBEDIQHBYQQ-UHFFFAOYSA-N 320.349 -0.187 50 20 DBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)C1CCOCC1 1333160338 DRDLJKUVLFEHBG-LLVKDONJSA-N 314.386 -0.536 50 20 DBGD Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1335330015 QJRRQRJSUFHAMN-QMMMGPOBSA-N 314.729 -0.005 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccc(OC)c1OC 1339818370 NFYUBSVBPVSVID-UHFFFAOYSA-N 311.294 -0.293 50 20 DBGD CCOCCOCCCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1349542564 FDVDODAGIIQWPC-JTQLQIEISA-N 301.343 -0.754 50 20 DBGD C[C@]1(C(=O)NNC(=O)COc2ccc(F)cc2)C[C@@H](O)CN1 1576351337 YMBPXGZOIUBGMW-QMTHXVAHSA-N 311.313 -0.535 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1ncc(Cl)cn1 1592941929 RBUKCNFPWSZESA-UHFFFAOYSA-N 321.692 -0.955 50 20 DBGD COC(=O)Cc1ccccc1CNC(=O)NNC(=O)C(=O)O 1598873411 LWBYGUYHKQWJGC-UHFFFAOYSA-N 309.278 -0.683 50 20 DBGD O=C(N[C@H](C[C@H]1CCCOC1)C(=O)O)c1cccc(B(O)O)c1 1601409495 COFAORWIJYESFE-ZWNOBZJWSA-N 321.138 -0.634 50 20 DBGD O=C(O)c1cn(CCNS(=O)(=O)CCCCCl)nn1 1602505184 BOQMCJFESXQKFZ-UHFFFAOYSA-N 310.763 -0.085 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1606901195 ZWARZQFAXVIVMY-DJLDLDEBSA-N 303.315 -0.911 50 20 DBGD NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353735 MLLOAMLRPFTYCG-VIFPVBQESA-N 317.773 -0.945 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1ccccc1=O 265892892 QZQAFXUGWUWGIV-UHFFFAOYSA-N 308.338 -0.700 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ccccc1F 269576746 GHYSHFWFKFRATE-UHFFFAOYSA-N 301.343 -0.001 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(C#N)CCCCC1 273543190 XKLKBVXXGLVJAP-VIFPVBQESA-N 316.383 -0.454 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccccc2)O1 289432594 SEUGDKKUEMFGRO-NWDGAFQWSA-N 321.333 -0.034 50 20 DBGD O=C(NCCOc1ccccc1F)NNC(=O)C(=O)NC1CC1 298668638 SQHJZUVEVINWBC-UHFFFAOYSA-N 324.312 -0.187 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 584939902 MRNSXJYYNIAWLO-GFCCVEGCSA-N 300.127 -0.989 50 20 DBGD Cc1nc(C)n(C2CN(C(=O)c3cccc(B(O)O)c3)C2)n1 584985150 IBDRLEFYYUNJGM-UHFFFAOYSA-N 300.127 -0.728 50 20 DBGD Cc1noc(C(C)(C)NC(=O)c2cc(B(O)O)ccc2F)n1 584987912 XNSFEGMFLLEHPY-UHFFFAOYSA-N 307.090 -0.138 50 20 DBGD CC(C)CN1CCO[C@H](CNCc2ccc(B(O)O)cc2F)C1 585016708 WXSJMDBBRHDPMT-OAHLLOKOSA-N 324.205 -0.048 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCCN(C(=O)O)C2)cn1 739021864 CXOLDNXLOSKHMZ-SECBINFHSA-N 310.314 -0.494 50 20 DBGD CC(=O)Nc1nc(C(=O)NNC(=O)Cc2cc[nH]n2)cs1 755277493 RPRVUXCUVIGLBY-UHFFFAOYSA-N 308.323 -0.172 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)N1CC=C(C#N)CC1 760002704 BPSAIHZDIXTOSJ-UHFFFAOYSA-N 301.368 -0.375 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC(C)C)cn1 770223238 NLRVJUWTRXMZHK-UHFFFAOYSA-N 315.355 -0.658 50 20 DBGD COc1cc(F)ccc1NNC(=O)Cn1ccc(=O)n(C)c1=O 788189922 IOJUEMGUNOZPSV-UHFFFAOYSA-N 322.296 -0.162 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H](C)[C@@H](C)C(=O)NNC(=O)C(C)C 790119666 SZRVBOAIZNYFFO-AOOOYVTPSA-N 314.386 -0.135 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ncccc1F 804216609 LTZUIYCSZQTSLM-UHFFFAOYSA-N 313.314 -0.037 50 20 DBGD CC(=O)N[C@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1 817280528 IKQWPVDTXAEBLI-AWEZNQCLSA-N 318.377 -0.034 50 20 DBGD C[C@H](CO)N(C)NC(=O)CCNS(=O)(=O)c1ccccc1 823987935 MZDBCZWHGHSLFO-LLVKDONJSA-N 315.395 -0.301 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](CO)C1CCOCC1 827274694 QDWPJWOVLPDCQX-ZMLRMANQSA-N 315.370 -0.471 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1nc2ccccn2n1 834350912 GWJFEEFPEKMFGH-MRVPVSSYSA-N 312.355 -0.500 50 20 DBGD O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)N1 845071740 FXPOAXPKDAAXSA-QMMMGPOBSA-N 300.296 -0.270 50 20 DBGD O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CC(=O)N(C2CC2)C1 852193496 PVEFWYPIMPCDBC-QMMMGPOBSA-N 321.312 -0.072 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)NC)cs1 854923949 AGYSDVOFIXRIQO-UHFFFAOYSA-N 322.437 -0.263 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2COCCN2C2CCCC2)N1 862458310 CCLFFIXQFVXRGS-RYUDHWBXSA-N 324.381 -0.944 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCC#CCO 923789846 VVUWXCQQQXWGMK-SNVBAGLBSA-N 309.297 -0.081 50 20 DBGD COc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)CCO 1116641869 JXAQMUZHJKNMPN-UHFFFAOYSA-N 315.713 -0.183 50 20 DBGD CN(C)N(C(=O)C[C@H]1CCCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1117486690 XWKMLTLQIZKNDT-GHMZBOCLSA-N 317.411 -0.463 50 20 DBGD COC(=O)Cc1ccccc1CNC(=O)NNC(=O)C(=O)OC 1118311498 BRMPXJRHIHZMFW-UHFFFAOYSA-N 323.305 -0.595 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)ccn1 1260118261 WGEVRWODZIKSOX-UHFFFAOYSA-N 303.278 -0.182 50 20 DBGD Cc1sc(=O)n(CC(=O)NNC(=O)c2cnn(C)c2)c1C 1318557548 JFZQQSRCYWAFFJ-UHFFFAOYSA-N 309.351 -0.279 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)Cc1cccnc1)CC2 1319409404 GSBCCAACFHLBHE-GFCCVEGCSA-N 314.349 -0.066 50 20 DBGD C=C[C@@H](COC)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1320318675 ZVMHTJXEEJWPQN-VIFPVBQESA-N 307.310 -0.449 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 1320520308 LKMSGNKTLVQIMV-UHFFFAOYSA-N 320.305 -0.241 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(Cl)cc1F 1320521419 VNWLVCPCVHXUAS-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cn1 1321152354 QMXYBAAXFJPUND-UHFFFAOYSA-N 318.293 -0.858 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1335285189 MBWGCOWLBBCXGV-JTQLQIEISA-N 320.305 -0.940 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc([C@@H](C)O)s1 1343884091 HKBRJKPNODOUMT-NKWVEPMBSA-N 320.396 -0.416 50 20 DBGD CO[C@H]1CN[C@](C)(C(=O)NNC(=S)NCCSC)C1 1573959978 BHPDPWWZYFCSLG-KCJUWKMLSA-N 306.457 -0.388 50 20 DBGD O=C(N[C@H](C[C@@H]1CCCOC1)C(=O)O)c1cccc(B(O)O)c1 1601409493 COFAORWIJYESFE-GXFFZTMASA-N 321.138 -0.634 50 20 DBGD COC(=O)c1cnc([C@@H](C)NC(=O)NNC(=O)C(=O)O)s1 1610218149 OHGFTVZXPSTCBL-SCSAIBSYSA-N 316.295 -0.594 50 20 DBGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1783053535 IPCKTAIENJUKQH-SMDDNHRTSA-N 314.769 -0.297 50 20 DBGD CC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1800071547 OOMCTLMAABFJOL-OSUNSFLBSA-N 316.833 -0.072 50 20 DBGD O=C(c1ncon1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841351999 PUWQWIYPTKUBHZ-MRVPVSSYSA-N 314.729 -0.514 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(F)ccc1F 7726066 DVLJQQGHSOEPRW-UHFFFAOYSA-N 321.305 -0.201 50 20 DBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)c1cccnc1 15632879 JRYHLOFRKIXNCY-UHFFFAOYSA-N 324.300 -0.352 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccc2c(c1)OCCO2 32836791 JDNBNXCJBCSXAV-LBPRGKRZSA-N 308.290 -0.366 50 20 DBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 266852867 SDVNHNBIOIIVKG-ZJUUUORDSA-N 313.354 -0.362 50 20 DBGD Cc1cc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)o1 273549691 YONBFKOAMZMFDP-QMMMGPOBSA-N 303.340 -0.405 50 20 DBGD CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)CN(C)C)c1 274933461 RHRSMRKLEUPOLL-UHFFFAOYSA-N 323.353 -0.231 50 20 DBGD O=C(CCn1ccnn1)NNC(=O)[C@H]1COc2ccccc2O1 298182428 DXFNHUAQOHLMMM-GFCCVEGCSA-N 317.305 -0.344 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1COCCO1 299611769 DWDSTMMSPWMTCC-MRVPVSSYSA-N 313.335 -0.959 50 20 DBGD COC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 492881596 FDJKGQYXFRDKOC-UHFFFAOYSA-N 319.251 -0.158 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(O)c(NC(C)=O)c1 493175946 FLWJEUSVPNCDQA-UHFFFAOYSA-N 303.296 -0.100 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)N1CCCC1 494538689 JFNQNBMCLRQULK-UHFFFAOYSA-N 322.387 -0.528 50 20 DBGD COC(=O)NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 495367648 SGESFMWUDZGKFB-ZDUSSCGKSA-N 306.278 -0.258 50 20 DBGD COCCCn1cc(C)c(NC(=O)c2cccc(B(O)O)c2)n1 584995261 KGHANJSBIQMOCW-UHFFFAOYSA-N 317.154 0.160 50 20 DBGD O=C(N[C@@H](CO)[C@H]1CCCOC1)c1ccc(B(O)O)c(F)c1 585002370 SWUHNUFYODECAJ-GWCFXTLKSA-N 311.118 -0.977 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccnc1O 725740957 LHFCFFJOBZGQBT-UHFFFAOYSA-N 304.262 -0.429 50 20 DBGD O=C(NCCc1cccc(O)c1)NNC(=O)C(=O)NC1CC1 727239465 HZOWHJVUZONMRE-UHFFFAOYSA-N 306.322 -0.456 50 20 DBGD Cn1nccc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737627656 MCTJUQTYXXWCFI-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD CN(C)C(=O)CCCC(=O)NNC(=O)CNC(=O)c1ccco1 746196312 KJUWDHKDQQXFHL-UHFFFAOYSA-N 324.337 -0.585 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(F)c1O 755697569 FTUPRMXUVRKQFJ-SSDOTTSWSA-N 303.315 -0.081 50 20 DBGD CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NNC(=O)CO 764422472 SDNSBPMPDUDHLJ-SECBINFHSA-N 311.342 -0.432 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cc(-c2cccs2)[nH]n1 764498036 PQQFXTPUZKILST-UHFFFAOYSA-N 324.391 -0.268 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(OCC(N)=O)cc2)n[nH]1 765587378 JYGJQRVWUUNBOR-UHFFFAOYSA-N 317.305 -0.343 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccc2nnnn2c1 770245623 HUICBACRVVNTOD-UHFFFAOYSA-N 311.396 -0.404 50 20 DBGD C[C@@H]1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 776341109 PSZKIKVHSMVZEB-BBBLOLIVSA-N 303.384 -0.060 50 20 DBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)N1CCN(C)CC1 807382053 VIKQMXGRGYLESH-UHFFFAOYSA-N 314.386 -0.046 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NN(C)CCOC)C1=O 819744924 JDLUMDHAJDOAES-UHFFFAOYSA-N 300.359 -0.294 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1 831769119 FHVPTVYYSNPCAA-SFYZADRCSA-N 323.309 -0.159 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2nc(O)[nH]c2n1 843972564 USCMDLWUCQWYHH-RNFRBKRXSA-N 305.294 -0.151 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](C2CC2)O1 858699262 NFPMSPBARZXCBB-IEBDPFPHSA-N 310.354 -0.495 50 20 DBGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450501 VDYRFNTUZMWUTR-RVBZMBCESA-N 319.317 -0.359 50 20 DBGD CN(C)CCOc1cc(C(=O)NNC(=O)c2cn[nH]c2)ccn1 862472181 HKGIKDOCDBNOPX-UHFFFAOYSA-N 318.337 -0.180 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2cc(F)cc(F)c2)N1 863413710 LKQUVJUEVNDDLY-VIFPVBQESA-N 319.289 -0.447 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc(C#CCO)c2)CC1 908054799 JBNUKMJYRAWROB-UHFFFAOYSA-N 316.361 -0.368 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)[C@@H]1CSCC(=O)N1 931164510 QYMAGPUVGIBNPD-NSHDSACASA-N 323.374 -0.166 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(Br)nc1 1116618465 YKOLWZNPDJCWTR-UHFFFAOYSA-N 301.100 -0.050 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)c1cncn1-c1ccccc1 1317798223 GDGQOSHCIJQXKD-UHFFFAOYSA-N 316.321 -0.308 50 20 DBGD O=C1Cc2cc(NC(=O)C(=O)NNC(=O)C3CC3)ccc2N1 1320509982 DPRXXSSFXVSILP-UHFFFAOYSA-N 302.290 -0.323 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cn(C)c(=O)cc1C 1321154601 ZSGLLKNTQKLOGB-MRVPVSSYSA-N 308.338 -0.174 50 20 DBGD CN(C)N(C(=O)C[C@@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1328705876 XPCJQEZZILXPBW-VHSXEESVSA-N 303.384 -0.853 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccc2c(c1)COC2 1602072225 WYHTZFKRVBQBRM-UHFFFAOYSA-N 315.307 -0.706 50 20 DBGD CC(C)Oc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)O 1603952173 PCPDHUMECHUTGY-UHFFFAOYSA-N 309.278 -0.356 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCCC(=O)O 1609665785 XZZFGGXTCIGBQE-UHFFFAOYSA-N 303.315 -0.087 50 20 DBGD O=C(O)c1cncc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c1 1610864832 WQZDRZVUTPKMIT-UHFFFAOYSA-N 310.291 -0.269 50 20 DBGD CC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793105911 GKNRNJZEAURNOP-OSUNSFLBSA-N 318.801 -0.005 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC(c2ccccc2)=NO1 41777943 YUMUIOHAEFGEES-LBPRGKRZSA-N 318.333 -0.148 50 20 DBGD O=C(CN1CCCCCCC1=O)NNC(=O)C(=O)NC1CC1 107772613 FTRJRYKUKJHHJM-UHFFFAOYSA-N 310.354 -0.795 50 20 DBGD CCNc1nc(C(=O)NNC(=O)C(=O)N2CCCC2)cs1 269128839 KYYSMLUFCDTGDO-UHFFFAOYSA-N 311.367 -0.042 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNc1cccc(OC)n1 272556277 MVYFLXPYACGRDB-UHFFFAOYSA-N 317.371 -0.344 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1ccnc(F)c1 272687136 BSOAKPHRHVOJOS-UHFFFAOYSA-N 320.346 -0.380 50 20 DBGD CNC(=O)[C@]1(C)CCN(C(=O)NNC(=O)Cc2cccnc2)C1 280428230 CCHGRCHJZPZTTI-OAHLLOKOSA-N 319.365 -0.177 50 20 DBGD Cc1c(CCC(=O)NNC(=O)N2CCN(C)CC2)cnn1C 288116048 YDPHUJQKZXKSMM-UHFFFAOYSA-N 308.386 -0.351 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 367907459 ZIPIJIVSRZZKEX-QMMMGPOBSA-N 311.725 -0.167 50 20 DBGD O=C(N[C@H]1C[C@@H]2CCCCN2C1)c1ccc(B(O)O)c(F)c1 584998036 NWUCOIYDAJFNAI-RYUDHWBXSA-N 306.146 -0.138 50 20 DBGD C[C@@H]1CN(C(C)(C)CNCc2ccc(B(O)O)o2)C[C@@H](C)O1 585015469 ZLNIPLCDVUWSLE-VXGBXAGGSA-N 310.203 -0.063 50 20 DBGD C[C@@H]([C@@H](C)NCc1ccc(B(O)O)cc1F)N1CCOCC1 585024472 WGNGDPLZXWNYKZ-NEPJUHHUSA-N 310.178 -0.296 50 20 DBGD CC(=O)N1CC[C@H](c2nc(-c3cccc(B(O)O)c3)no2)C1 585053249 JKKKFHDXJQFTEX-NSHDSACASA-N 301.111 -0.248 50 20 DBGD O=C1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)CN1Cc1ccccn1 585069496 NIKBYWIWXGYRHM-RYUDHWBXSA-N 317.154 -0.495 50 20 DBGD O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@@H](B(O)O)C1 585071696 ZIXUAWIMHRXYKP-SECBINFHSA-N 302.095 -0.642 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccn(C)n2)C[C@@H](C)O1 732261660 FGNSMQGVVGXEBM-PHIMTYICSA-N 309.370 -0.320 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1cnn(C)c1 735471102 OFCAPRVWBHSQSB-QMMMGPOBSA-N 305.294 -0.407 50 20 DBGD COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CN(C)C 764204092 ORSXYMHTPFADSD-UHFFFAOYSA-N 322.321 -0.879 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(CC(=O)OC)c1 764300439 PKHMLXVFRPVHRM-UHFFFAOYSA-N 323.305 -0.866 50 20 DBGD CC(C)N(C)c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764427769 BQDYDBXGMCCBBO-UHFFFAOYSA-N 308.338 -0.391 50 20 DBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)C(C)C 776944930 WULURNYUAVPANK-GHMZBOCLSA-N 303.359 -0.207 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1ncncc1Cl 781819304 CJLVQFHOMWKSRF-UHFFFAOYSA-N 305.747 -0.391 50 20 DBGD CS(=O)(=O)[C@@H]1CCCC(=NNC(=O)C(=O)NC2CC2)C1 788422515 GRBNVBWLGGFGQW-SNVBAGLBSA-N 301.368 -0.276 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNc1nc2ccccn2n1 791248372 LYGICNUFXRDULO-UHFFFAOYSA-N 302.294 -0.289 50 20 DBGD CN1CC[C@H](NC(=O)NNc2ccc(-n3ccnc3)nn2)C1=O 805143525 KXOXPZCCFYVQGI-VIFPVBQESA-N 316.325 -0.481 50 20 DBGD CN(NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CC1 819652671 ZNNBHPSQDBTIRW-UHFFFAOYSA-N 314.323 -0.019 50 20 DBGD C=CCCn1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC)nn1 820971483 UPVRAXLSTXEFPN-SECBINFHSA-N 309.326 -0.043 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@@](C)(C#N)CC(=O)O)nc21 821315597 ZPAZNOVVVQOMFE-GFCCVEGCSA-N 319.281 -0.483 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@H]1CC(=O)N(C2CC2)C1 836348108 BEHUQZXITJCVMH-GXSJLCMTSA-N 310.354 -0.351 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCNC(=O)C1 854282067 BTSZZJZDJCHOHX-SECBINFHSA-N 302.400 -0.613 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cc[nH]n2)CCCC1 855358625 QCEREUCVBFESQV-UHFFFAOYSA-N 300.340 -0.472 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(=O)n(C)c1 860790613 AEAHISYQEKNJCJ-QMMMGPOBSA-N 307.310 -0.875 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(C(N)=O)c1 861164260 NZTQMNCRJMBNPJ-SNVBAGLBSA-N 319.321 -0.475 50 20 DBGD COCCOc1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862453407 UZBCBKLHFINVLZ-NSHDSACASA-N 321.333 -0.249 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cc(F)ccc1F 863463102 RJSUIVRLRLFYIJ-UHFFFAOYSA-N 306.290 -0.301 50 20 DBGD COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cccc(B(O)O)c1 863879717 YTESLKMDFRWDOI-GXFFZTMASA-N 305.139 -0.220 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ncnc3ccsc23)C1=O 901107008 SVXPTTMMBVHZGA-MRVPVSSYSA-N 307.335 -0.008 50 20 DBGD COc1ccnc(NNC(=O)CN(C)CC(=O)NC(C)C)n1 914861383 QUQFAMYCEPOBDF-UHFFFAOYSA-N 310.358 -0.615 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1COCCO1 915061942 AVDDZUKQFWHSFN-JTQLQIEISA-N 304.306 -0.181 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNC(=O)NCC2CC2)C1=O 920860208 QSFIHYZQEAYABI-UHFFFAOYSA-N 311.342 -0.599 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1116027419 DBBNATCSKSCFTK-UHFFFAOYSA-N 307.354 -0.034 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NOC[C@H]1CCOC1 1116749174 BKPXYHLMLAUSHA-ZJUUUORDSA-N 305.331 -0.664 50 20 DBGD Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 1318586082 PTZCPBWAOLWHPW-ZCFIWIBFSA-N 309.326 -0.039 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CCCCNC(N)=O)n1 1321776508 FOPJCNBMAZLOHY-UHFFFAOYSA-N 310.358 -0.514 50 20 DBGD COc1ccc(C(=O)NNC(=S)NCC(=O)N(C)C)cc1 1321898804 OFDIJSVNSDWWBR-UHFFFAOYSA-N 310.379 -0.108 50 20 DBGD CN(C)N(C(=O)[C@H](O)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 1324129909 ZGPCJAYPVBXTIV-VXGBXAGGSA-N 313.379 -0.393 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nnc2n1CCC2 1326269186 FVPAWCVNWPEROY-IUCAKERBSA-N 308.342 -0.520 50 20 DBGD COc1ccncc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326832925 QJMNPXDZSLWWKT-IUCAKERBSA-N 322.321 -0.399 50 20 DBGD NC(=O)c1nccnc1C(=O)NNC(=S)NCC1CCC1 1328755513 AMNYRFQDIBPIPR-UHFFFAOYSA-N 308.367 -0.516 50 20 DBGD N#Cc1ccccc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 1329128558 UAXHZZAFOMIPNU-SECBINFHSA-N 308.319 -0.854 50 20 DBGD COc1ccc(NNC(=O)c2cnn(C[C@H](O)CO)c2)nc1 1329264845 ZPUKPIDYOBBQLP-JTQLQIEISA-N 307.310 -0.603 50 20 DBGD CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CCO)c1C 1343596703 RKHPCLQRDLZXEU-QMMMGPOBSA-N 311.342 -0.369 50 20 DBGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1346069852 VTTWOBPSPGSZEA-WCBMZHEXSA-N 324.337 -0.299 50 20 DBGD COCC[C@@H](N)C(=O)NNC(=O)CSc1ccccc1O 1573977706 IEGKTMZDOKWANY-SECBINFHSA-N 313.379 -0.005 50 20 DBGD C[C@@H](CO)N(C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 1589883106 WTRXYMYERSXIET-VIFPVBQESA-N 306.326 -0.411 50 20 DBGD Cn1cc(C=NNC(=O)NCC(=O)O)c(Br)n1 1600946247 PMWULAPJBUMUJH-UHFFFAOYSA-N 304.104 -0.100 50 20 DBGD O=C(NCc1ccc2c(c1)OC(F)(F)O2)NNC(=O)C(=O)O 1601540731 SYWBSGHELFKTJP-UHFFFAOYSA-N 317.204 -0.077 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1603059872 HKRZBFQYHLBPCA-UHFFFAOYSA-N 318.341 -0.133 50 20 DBGD COc1cc(C(=O)NN(C)C[C@@H](C)O)ccc1-c1nn[nH]n1 1605196507 GSDBEEUGXKQUDC-MRVPVSSYSA-N 306.326 -0.167 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(C(=O)O)CCSCC1 1605709687 WDENCORHIMEUBI-UHFFFAOYSA-N 312.351 -0.302 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNc2ccc(F)cn2)C1=O 1606252847 BRLQIZPTJPTYMG-VIFPVBQESA-N 310.285 -0.013 50 20 DBGD O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)[C@H]1CCCO1 32261180 QXCMHTDNCBRILW-LLVKDONJSA-N 316.321 -0.334 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(=O)NC1CC1 43934589 BWOAXIWSZHHVMR-ZETCQYMHSA-N 314.342 -0.674 50 20 DBGD CN1CC[C@H](NC(=O)NNc2ccc(-n3cccn3)nn2)C1=O 265771754 JGRIIBPLRUTKJH-VIFPVBQESA-N 316.325 -0.481 50 20 DBGD CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)c1cnn(C)c1 266828431 TVPIPGUXXFIHEG-VIFPVBQESA-N 311.342 -0.048 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 268375412 ZOXXIYIZHPUVDI-JQWIXIFHSA-N 320.349 -0.028 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CCC(=O)N1 270679365 HIJZOJYBQDHVIB-QMMMGPOBSA-N 309.347 -0.090 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCC(=O)N2CCOCC2)n1 271961979 GVAFFPXJWGWENS-UHFFFAOYSA-N 308.342 -0.422 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cnn(C)c1)n1nnnc1C(C)(C)C 273411860 MYQXQAIKVAVUJD-MRVPVSSYSA-N 320.357 -0.274 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(C)n1 279776083 HZXKQTIXAMXMIJ-UHFFFAOYSA-N 300.340 -0.910 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 282768165 KHTWNKDBKWNBDL-VIFPVBQESA-N 322.321 -0.175 50 20 DBGD CNC(=O)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 291391387 AKRCFEQPMDLQOF-UHFFFAOYSA-N 305.338 -0.705 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@H]1CN2CCCN1CC2 362402158 ORYVMEGDXOIPTG-CYBMUJFWSA-N 318.377 -0.154 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCCOCC2)n1 374028307 YHZGGTROOXLRDR-UHFFFAOYSA-N 312.395 -0.136 50 20 DBGD Cn1cc([C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)cn1 584949251 DZKGUGVLSTZIPR-NSHDSACASA-N 317.129 -0.131 50 20 DBGD CC(C)NC(=O)C[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584952546 PAIHVJHAXMLMPL-VIFPVBQESA-N 310.134 -0.462 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@]2(CCOC2)O1 584982748 IBEMBLMLOLIJJZ-XHDPSFHLSA-N 305.139 -0.614 50 20 DBGD CN(C)c1nccc(CNCc2ccc(B(O)O)cc2F)n1 585035598 VUUQNLOYMKKLRP-UHFFFAOYSA-N 304.134 -0.349 50 20 DBGD Cn1nccc1N1CCC[C@H](NCc2cccc(B(O)O)c2)C1 585039599 XOCZGRUDINYTDK-HNNXBMFYSA-N 314.198 -0.142 50 20 DBGD Cn1nccc1[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCO1 585044188 AMMJCYGHSIRWON-GXFFZTMASA-N 305.143 -0.297 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)Cn1cnc2ccccc21 726024643 UHPGPSZMDWQYKT-UHFFFAOYSA-N 315.333 -0.194 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1 731597801 SBHQTDBWWZWXOY-UHFFFAOYSA-N 301.306 -0.551 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1 748636693 USZNEYLIXLRPOX-ZJUUUORDSA-N 313.358 -0.137 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)Cn2cnc3ccccc32)CCN1 760265877 WLUIFOYDEGFTJD-JTQLQIEISA-N 315.333 -0.290 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)C(C)(C)O)c1 768261028 ZGOZXSQYNICUIB-UHFFFAOYSA-N 323.349 -0.728 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)N1CCCC1=O 772163718 DBDCQYKATVBOBG-UWVGGRQHSA-N 313.354 -0.124 50 20 DBGD CC1(C)OC[C@H](CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)O1 783274563 GTHNZVTVILSZFT-CABZTGNLSA-N 321.399 -0.481 50 20 DBGD CC(C)C(=O)NNC(=O)C(F)(F)C(=O)NNC(=O)C(C)C 821229432 INNSPAYKOSCSHJ-UHFFFAOYSA-N 308.285 -0.772 50 20 DBGD COc1cccc(NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)n1 823906129 UDBPJVQDCMBAPB-MRVPVSSYSA-N 307.310 -0.136 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 823970495 HMRIMWSUCSFZAZ-RYUDHWBXSA-N 306.366 -0.226 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCS(=O)(=O)C1CC1 826974212 KBLVKSLTUOYJBU-SCZZXKLOSA-N 319.383 -0.681 50 20 DBGD CO[C@@H](CS(=O)(=O)NNC(=O)C(=O)NC(C)C)C(C)C 842575104 BGGWEOYONZHLRZ-VIFPVBQESA-N 309.388 -0.867 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCO[C@H]1C)C(C)C 843650442 CJSSVDQMPKRXSO-NHCYSSNCSA-N 315.370 -0.654 50 20 DBGD C[C@@H]1[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CCN1C 843889719 PROYXBVURWCNGL-GRYCIOLGSA-N 303.428 -0.181 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)NCc1ccco1 843973909 MJKVQKGUCAXYNZ-KOLCDFICSA-N 324.337 -0.349 50 20 DBGD O=C(CNC(=O)NNC(=O)c1cccc(F)n1)NCC1CC1 852248769 XAYKVUZJOJWJPZ-UHFFFAOYSA-N 309.301 -0.309 50 20 DBGD NC[C@H]1OCC[C@H]1C(=O)NNc1nc(-c2ccncc2)no1 852865000 PDGKHNNBAVMMSM-NXEZZACHSA-N 304.310 -0.062 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNc2ncc(Cl)cn2)C1=O 856917685 OUKSMCYLKMCFFC-ZETCQYMHSA-N 312.717 -0.097 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](NC=O)C(C)C 859539065 FUPAAGJNRIQXGW-JTQLQIEISA-N 300.359 -0.791 50 20 DBGD COC(=O)CC(C)(C)CC(=O)NNC(=O)CS(C)(=O)=O 863464960 ZRLUUBYSHNVLHW-UHFFFAOYSA-N 308.356 -0.842 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3COC[C@H]3C2)c1 872320450 XBNPWRGOQHVNGL-OKILXGFUSA-N 314.345 -0.103 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1cccc(N(C)C)c1 1115892933 WNSGXEZVDDXSEI-UHFFFAOYSA-N 322.365 -0.334 50 20 DBGD CN(C)c1cc(C(=O)NNc2ccc(C(N)=O)nn2)ccn1 1319588322 QLEVRFDFCZBRCQ-UHFFFAOYSA-N 301.310 -0.207 50 20 DBGD O=C(CCn1cnccc1=O)NNC(=O)OCC(F)(F)F 1328423272 XZCXASFRNIKNRI-UHFFFAOYSA-N 308.216 -0.047 50 20 DBGD Cn1cncc1C(=O)NNc1nccc(N2CCOCC2)n1 1329818556 UNGJFXJRYVGAPU-UHFFFAOYSA-N 303.326 -0.196 50 20 DBGD COc1cncc(NC(=O)C(=O)NNC(=O)[C@H]2CCCCO2)n1 1349564729 SZLCIPIZVBILEW-MRVPVSSYSA-N 323.309 -0.860 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@]2(CCNC2)O1 1576791654 RLZXVYCUHGUGFE-BONVTDFDSA-N 322.145 -0.902 50 20 DBGD N[C@@H]1CCO[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1580384040 UBHZBCPAZRQDIJ-MFKMUULPSA-N 315.333 -0.046 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)[C@@H]1CCN[C@@H]([C@@H]2CCCO2)C1 1580736460 TYQFALCJGBMDQH-FVCCEPFGSA-N 311.382 -0.140 50 20 DBGD CCN1CC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590731515 VTRISVQZVGGYLV-LLVKDONJSA-N 315.337 -0.278 50 20 DBGD O=C(NNC(=O)c1ccsc1-c1nn[nH]n1)c1ncon1 1593159369 JUXOGKRPIMNAKC-UHFFFAOYSA-N 306.267 -0.614 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2ccc(C(=O)O)cc2F)C1=O 1598559318 RRUXLXLIVFLRBD-UHFFFAOYSA-N 324.268 -0.139 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)CC1 1598606392 CJYWSKZJXZCILP-QWRGUYRKSA-N 312.370 -0.134 50 20 DBGD Cc1c(C(=O)O)csc1NC(=O)C(=O)NNC(=O)CCO 1610414980 WIYOKWBJTMPOJO-UHFFFAOYSA-N 315.307 -0.777 50 20 DBGD CN(C)CCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350657 QDTDEKYGLDSUAR-LLVKDONJSA-N 317.817 -0.259 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C(N)=O)n(C)c1 48654686 WHDRXDWJVGGYCX-SSDOTTSWSA-N 302.356 -0.520 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 156171266 WABKJPFLYDEZBE-AWEZNQCLSA-N 320.393 -0.404 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 196418404 SECSXYWYCWMSLL-UHFFFAOYSA-N 315.307 -0.043 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccn1 264067018 YLDJAHXSXYWLAR-SSDOTTSWSA-N 317.754 -0.069 50 20 DBGD COc1c(C)ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1C 274074658 PCLQXCAGNYJEMC-UHFFFAOYSA-N 322.365 -0.040 50 20 DBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 285210241 RUBIMRDMRFCJNH-GFCCVEGCSA-N 318.333 -0.289 50 20 DBGD CSCC[C@H](O)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494538482 HRTWIIBGZXYDJL-QMMMGPOBSA-N 321.399 -0.228 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)NC1CCCC1 584934528 QFYYFJWLLUHJBT-VIFPVBQESA-N 322.145 -0.317 50 20 DBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(B(O)O)ccc1F 584937121 RAPFUNFBLZSPPT-NEPJUHHUSA-N 322.145 -0.902 50 20 DBGD Cn1cc(CCCCNC(=O)c2ccc(B(O)O)cc2)cn1 584941710 AYUHLDFFLMBDLH-UHFFFAOYSA-N 301.155 -0.147 50 20 DBGD C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(B(O)O)c(F)c1 584949717 IXJMITDYRQYAJS-HZMBPMFUSA-N 308.162 -0.082 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 584986905 NXCQFAMWFWZILZ-IJPSMNBWSA-N 305.114 -0.653 50 20 DBGD CC(C)(CNC(=O)c1cccc(B(O)O)c1)[C@@]1(O)CCCOC1 585005454 HUVNFGBLMYQJFH-MRXNPFEDSA-N 321.182 -0.336 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CN3CCCC[C@H]3CO2)c(F)c1 585035651 WKBOPMGUJHPMNF-LSDHHAIUSA-N 322.189 -0.152 50 20 DBGD CS(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1 729457122 YMEGVIDTMOWICV-UHFFFAOYSA-N 324.322 -0.749 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)[C@H]1CC(=O)N(C2CC2)C1 743470580 GODXKGPXPCNKFJ-ZETCQYMHSA-N 301.310 -0.193 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(COCC2CC2)c1 764428038 BDJLDXWNEUAOIN-UHFFFAOYSA-N 321.333 -0.309 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCN1C(N)=O 770241506 YYZJMDHQBWBHPK-ZETCQYMHSA-N 305.429 -0.612 50 20 DBGD O=C(CCc1cnc[nH]1)NNC(=O)CNC(=O)c1cccs1 793335632 FCUBTUGWIAURQE-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 794576644 MFAHNFZYROTCFR-UHFFFAOYSA-N 321.380 -0.549 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNC(=O)Nc1ccccc1C)C(N)=O 798312938 OQANQCBNMYQIOZ-NSHDSACASA-N 321.337 -0.472 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CS(=O)(=O)CC 807370085 VCOPQAVOONREGC-UHFFFAOYSA-N 310.372 -0.642 50 20 DBGD CCS(=O)(=O)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826974410 NCHHEQPPEFUTPW-VHSXEESVSA-N 321.399 -0.433 50 20 DBGD C=C[C@H](O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 831478248 YBXCVXRQHNNXSA-VIFPVBQESA-N 301.343 -0.014 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)[C@@H]2CCCCO2)CC1=O 833256994 SGXBZSFJMJLGLZ-QWRGUYRKSA-N 313.354 -0.802 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)O1 839472973 AOKYIFUIPHFRBS-UKKRHICBSA-N 314.342 -0.702 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](CN2CCCC2=O)C1 852680407 UTMIDHAVUKMPRR-NEPJUHHUSA-N 310.398 -0.123 50 20 DBGD CC(C)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1N 854214006 DHZDOQBWVLYQQS-UHFFFAOYSA-N 314.367 -0.650 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)c1cc[nH]n1 855359217 JZZMWOYWLKQLIW-CAHLUQPWSA-N 319.243 -0.372 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1 856790806 BVDNFBYHGFRDIQ-NWDGAFQWSA-N 320.349 -0.234 50 20 DBGD Cc1ccc(O)c(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858700861 FJUITXMMGWQBBV-SNVBAGLBSA-N 306.322 -0.190 50 20 DBGD CCC[C@H](OCC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 858750235 PTFRTOHZUZPZKD-ZJUUUORDSA-N 321.399 -0.291 50 20 DBGD O=C(NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)c1cc[nH]n1 862167776 BYFHWWDFCWJRIA-CQSZACIVSA-N 305.338 -0.133 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1cccc(C)n1 862522169 LNAYHRUXRWQBOA-UHFFFAOYSA-N 316.383 -0.211 50 20 DBGD O=C(NNC(=O)c1ccc(B(O)O)cc1)NC1CCCCC1 863870856 OHQCHFUYLSCJKR-UHFFFAOYSA-N 305.143 -0.357 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1cccc(F)c1 872382293 NTVLCGPPVAPSAH-UHFFFAOYSA-N 306.315 -0.202 50 20 DBGD COc1ccnc(NNC(=O)C[C@H]2CCS(=O)(=O)C2)n1 1115858759 GQGZZAHJXIAKLX-MRVPVSSYSA-N 300.340 -0.247 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 1116630526 ZCJBGNJYXQUQNG-UHFFFAOYSA-N 308.294 -0.190 50 20 DBGD CS(=O)(=O)C[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 1117702085 LNLDXTQMARMBNZ-SNVBAGLBSA-N 317.411 -0.700 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCc3nccn3C2)nn1 1118743157 WZGVILCQKICETQ-QMMMGPOBSA-N 301.310 -0.522 50 20 DBGD CCn1ccnc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118806845 BPEFDCWYJAWAEU-BDAKNGLRSA-N 308.342 -0.427 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1251678545 DZOXPJUAYDAZPO-UKKRHICBSA-N 301.343 -0.312 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)cc1 1253804570 BTXUYOJTBRHJQU-AWEZNQCLSA-N 318.377 -0.154 50 20 DBGD COCCn1ncc2ccc(NC(=O)C(=O)NNC(C)=O)cc21 1320510958 VZFYZIFBYRXVSY-UHFFFAOYSA-N 319.321 -0.212 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc(N2CCOCC2)ccc1C 1321261233 CKAYPJYQCSVPOO-UHFFFAOYSA-N 320.349 -0.063 50 20 DBGD C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)[C@H]1CCOC1 1321313165 USPUNPQIGAZJPT-ZJUUUORDSA-N 324.337 -0.235 50 20 DBGD O=C(CCCc1nc(C2CC2)no1)NNC(=O)[C@H]1CCC(=O)N1 1329078932 RNRBCTLUVCEAOX-SECBINFHSA-N 321.337 -0.304 50 20 DBGD CCc1nnc(C)cc1C(=O)NNC(=O)CS(C)(=O)=O 1351668383 WOIFDQGHGDQSGM-UHFFFAOYSA-N 300.340 -0.847 50 20 DBGD COC[C@H](N)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 1579086796 ASKKWHOMHAPYGR-LBPRGKRZSA-N 303.322 -0.393 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 1591275188 PCIQNRDYJUDQRM-UHFFFAOYSA-N 305.254 -0.808 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1=O 1592582298 GWXGDMLVSSFSTB-UHFFFAOYSA-N 312.293 -0.283 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1593413922 BJZDFYQTJOGNHJ-NSHDSACASA-N 301.310 -0.069 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(C#N)(C(=O)O)CC1 1594645947 UWMCNSLXCMCVES-UWVGGRQHSA-N 324.337 -0.157 50 20 DBGD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1598120182 WQJYQXYPWYNTCU-SFYZADRCSA-N 300.315 -0.952 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ncccc1C(=O)O 1603486333 ODFCKIZXLNVZEX-ZETCQYMHSA-N 309.278 -0.118 50 20 DBGD CCO[C@H](CS(=O)(=O)NNC(=O)NCC(=O)O)C1CC1 1605592789 GKDKOYUYBLMCNC-MRVPVSSYSA-N 309.344 -0.980 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)Nc2n[nH]cc2-c2nn[nH]n2)cn1 1606237121 HOKGWZMDSYBRHW-WAPJZHGLSA-N 310.281 -0.131 50 20 DBGD C[C@@H](CN)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350595 LNHLORUUQUUQBL-VHSXEESVSA-N 303.790 -0.616 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCOC2)c2ccccc2c1=O 66894128 VINBJUANUPPZMQ-VIFPVBQESA-N 316.317 -0.269 50 20 DBGD COC(=O)[C@H]1CN(S(=O)(=O)CBr)CCO1 127571352 QNLBYWMKDYBGHR-ZCFIWIBFSA-N 302.146 -0.458 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc(N(C)C)c1 270238205 QDFCOZICBGTKKY-UHFFFAOYSA-N 322.365 -0.382 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCCn2cnc(C#N)n2)n1 287008854 QNWRXYVRAOSPFC-UHFFFAOYSA-N 301.314 -0.117 50 20 DBGD O=C(NCCNC(=O)c1ccco1)NNC(=O)[C@@H]1CCCO1 291667388 MAOAATDZHUDSMD-JTQLQIEISA-N 310.310 -0.481 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 495366322 ADWXLESSWUJFTN-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cccc(B(O)O)c1)C2 584927138 DBCOODOYDBEEKX-CQSZACIVSA-N 311.150 -0.248 50 20 DBGD CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(B(O)O)cc2)C1 584967413 VCVSXWKUKBCGDV-GFCCVEGCSA-N 304.155 -0.693 50 20 DBGD CN1CCCC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 585010429 QPBSLJMXDCSVMG-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc3sccn3c2=O)cn1 735443514 BKEAXIKSQIDZIU-UHFFFAOYSA-N 318.318 -0.436 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(=O)O)cs1 755697575 FXMDQBMIMRCCEG-LURJTMIESA-N 319.364 -0.166 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(N)=O)cs1 755893324 LJZRBIAXWMFJPZ-LURJTMIESA-N 318.380 -0.765 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 755932753 DMIHNZCUYZLGKJ-UHFFFAOYSA-N 322.321 -0.696 50 20 DBGD Cn1cc(C(=O)NNC(=O)N=c2cc[nH]cc2[N+](=O)[O-])cn1 757806785 VSMLPUWDTADBRR-UHFFFAOYSA-N 305.254 -0.388 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1coc(S(N)(=O)=O)c1 763262946 NJNYADNLQKNBHR-UHFFFAOYSA-N 312.307 -0.660 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C(=O)c1cnn(C)c1 772066784 SDDYTGKSRUDBLO-VIFPVBQESA-N 324.337 -0.272 50 20 DBGD O=C(NCC1CC1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 788489163 SITAXXSPZQZUGH-UHFFFAOYSA-N 306.278 -0.118 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN[C@@H]2C(=O)NCC[C@@H]2C)cc1 799345811 PPAPLFWTJVCJMO-FZMZJTMJSA-N 318.377 -0.130 50 20 DBGD O=C(NNC(=O)c1ccc2oc(O)nc2c1)C(=O)N1CCCC1 805173107 ZMQHIOXPRZUDGF-UHFFFAOYSA-N 318.289 -0.083 50 20 DBGD O=C(CN[C@H](C1CC1)[C@@]1(CO)CCCO1)NNC(=O)C1CC1 815293182 SPPQEQLNIGUDGY-HIFRSBDPSA-N 311.382 -0.547 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NC1CCCC1 824342186 FQFIDHOPPNZNKU-QMMMGPOBSA-N 306.388 -0.413 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1ccc(-n2ccnc2)nn1 827473240 DWNYEFIPXNPBCM-NXEZZACHSA-N 319.325 -0.298 50 20 DBGD C[C@]1(NNC(=O)NCCCCCCN)CCS(=O)(=O)C1 831251845 CYCPZOMXXGQKJF-LBPRGKRZSA-N 306.432 -0.114 50 20 DBGD CCC[C@H](C(=O)NNc1cccc(OC)n1)S(N)(=O)=O 831876810 MNPXDVOSKICESL-MRVPVSSYSA-N 302.356 -0.010 50 20 DBGD O=C(O)C[C@H]1CCCN1C(=O)NNC(=O)[C@@H]1COCCO1 833210807 XPXOHYYGFVTKQX-BDAKNGLRSA-N 301.299 -0.918 50 20 DBGD O=C(Cc1cnn2ccccc12)NNC(=O)N1CCOCC1 843779188 QMMQMUOOVAIDKX-UHFFFAOYSA-N 303.322 -0.050 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC(=O)NCC(F)(F)F 843977483 GNENZJJZVRTFEH-RQJHMYQMSA-N 311.260 -0.373 50 20 DBGD COc1cncc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 853291805 JJVZBPYAZODDQC-SNVBAGLBSA-N 312.351 -0.090 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCNC2=O)cc1 854193030 MANDSSLHRKBRIT-LLVKDONJSA-N 302.290 -0.779 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)Cc1nc2ccccc2n1C 854200997 AJROVXMMXNOZEK-LBPRGKRZSA-N 320.349 -0.075 50 20 DBGD Cc1cnc2nc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)nn2c1 855007423 VSVHIROFTMHJIN-DTWKUNHWSA-N 304.310 -0.381 50 20 DBGD CCCCOCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858150353 SVNOBXKDASNZIB-SNVBAGLBSA-N 300.359 -0.198 50 20 DBGD C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858276004 NDZNLYXNYCONNA-WDEREUQCSA-N 311.386 -0.530 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@@H]2COC[C@@H]21 858701636 YANDFZVMBXVOHH-IVZWLZJFSA-N 310.354 -0.637 50 20 DBGD Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860539479 JMEVMXISINBXER-VIFPVBQESA-N 319.321 -0.475 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@]2(O)CCc3ccccc3C2)N1 862463083 XVXOPTNCAVTUAE-BLLLJJGKSA-N 317.345 -0.668 50 20 DBGD C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cn[nH]c1)CS2 862473723 ZORCMSZNBWZGNS-UFBFGSQYSA-N 309.351 -0.375 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSC[C@@H]1CCCCO1 863460573 CIRQNRPHFYEBNI-VIFPVBQESA-N 324.424 -0.519 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@H]1CSCCS1 863464188 JDOADCZGQGHYKQ-ZETCQYMHSA-N 312.438 -0.583 50 20 DBGD Cc1cc(C)c(C(=O)NNC(=O)CS(C)(=O)=O)cc1C=O 863466411 RRGJMPQVYMCRHZ-UHFFFAOYSA-N 312.347 -0.078 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@H](C(F)(F)F)C1 866007690 MXCFXZKBYIBIOM-JTQLQIEISA-N 303.045 -0.230 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1=O 899977090 LFWBLVPFAKZMSO-LBPRGKRZSA-N 320.349 -0.629 50 20 DBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)[C@@H]1CCSC1 913731496 KVERQLZZEBISDX-SNVBAGLBSA-N 314.411 -0.807 50 20 DBGD COC[C@H](C)NC(=S)NNC(=O)[C@H](C)CN1CCOCC1 916117897 NVSDPOOIZAZBDA-MNOVXSKESA-N 318.443 -0.515 50 20 DBGD C[C@@]1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCCOC1 1116519176 ZQXNBCKWGRAPAF-BXKDBHETSA-N 304.368 -0.615 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccco1 1252222900 ZPJDILLXXFLPFZ-DTWKUNHWSA-N 300.336 -0.035 50 20 DBGD CN(C)N(C(=O)c1ccc2nnnn2c1)[C@@H]1CCS(=O)(=O)C1 1252896142 WLUXMFMOWDEHKJ-SNVBAGLBSA-N 324.366 -0.770 50 20 DBGD CN(NC(=O)Cc1ccccc1NS(C)(=O)=O)C(N)=O 1254289681 ZKDJQQGDKXILRG-UHFFFAOYSA-N 300.340 -0.358 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC1(C)OCCO1 1261453826 QFBKUTANCYMTLD-UWVGGRQHSA-N 301.343 -0.105 50 20 DBGD CCn1cc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cn1 1321883814 KCTKKOFGUPKUHQ-LBPRGKRZSA-N 314.411 -0.062 50 20 DBGD COCc1cncc(C(=O)NNC(=O)CS(C)(=O)=O)c1 1329128934 XRHUCGGCVXTYMT-UHFFFAOYSA-N 301.324 -0.966 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCOC1)c1cncn1-c1ccccc1 1345065488 PLBJUGHSXFXUQA-OAHLLOKOSA-N 316.317 -0.215 50 20 DBGD CN(N)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1573877756 WFSLAPPOECDHLF-UHFFFAOYSA-N 306.326 -0.677 50 20 DBGD O=C(NNC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ccc(-c2nn[nH]n2)cc1 1593156030 HVPVMHVWOYUNRV-URLYPYJESA-N 314.305 -0.480 50 20 DBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795525016 PSKLXUXJGNQLNU-NOHGZBONSA-N 317.817 -0.058 50 20 DBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1ccc(F)cc1 48210289 PYOIEZMOCZIDEF-UHFFFAOYSA-N 308.229 -0.213 50 20 DBGD CC(=O)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 127655614 CIUGCCQPPOERPN-UHFFFAOYSA-N 301.306 -0.026 50 20 DBGD CC(C)n1cnc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 282022098 PIIOJMAYCHFSPY-QMMMGPOBSA-N 317.371 -0.837 50 20 DBGD CC[C@H](CNC(=O)NNC(=O)CNC(=O)c1ccco1)OC 290622475 DLYYHUVEVFPQEC-SECBINFHSA-N 312.326 -0.235 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@H]1CCNC1=O 298491842 JPPVLQYLYNYGDS-LBPRGKRZSA-N 322.340 -0.203 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNC(=O)c1ccccc1O 298659650 ISPOSNLTXFHIQX-UHFFFAOYSA-N 313.335 -0.811 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)Cn1cnc2ccccc21 299063678 PCNBOTSTYCISBE-UHFFFAOYSA-N 319.321 -0.118 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(Cc2ccco2)CC1 584926577 TYAVMDGSDLKDPM-UHFFFAOYSA-N 314.150 -0.083 50 20 DBGD COCCOCCCCNC(=O)c1cc(B(O)O)ccc1F 584936777 MZJBIYJMXIDZCZ-UHFFFAOYSA-N 313.134 -0.322 50 20 DBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)c1nncn1C 584978630 BUTVFMWVCJUCRB-QMMMGPOBSA-N 306.106 -0.833 50 20 DBGD CCO[C@@H]1C[C@@](CO)(NC(=O)c2cccc(B(O)O)c2)C1(C)C 584979294 POPXKHDTGWJDAD-CJNGLKHVSA-N 321.182 -0.338 50 20 DBGD O=C1C[C@H](NCc2ccc(B(O)O)cc2)CN1CC(F)(F)F 585024871 FTRBANUEMKREPH-NSHDSACASA-N 316.088 -0.381 50 20 DBGD CCN1CCN(CCCNCc2ccccc2B(O)O)CC1 585032107 BGKFYIOIJBQDFL-UHFFFAOYSA-N 305.231 -0.516 50 20 DBGD COc1ccccc1-n1cc(S(=O)(=O)NCB(O)O)cn1 585055662 GQMZBNWIXCDPPH-UHFFFAOYSA-N 311.128 -0.829 50 20 DBGD CCn1c(=O)n(CC(=O)N2CC[C@@H](B(O)O)C2)c2ccccc21 585068996 JZOMIMZBVZSHPF-LLVKDONJSA-N 317.154 -0.102 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](B(O)O)C2)C1 585069151 LTQQZONFGVHRMS-MNOVXSKESA-N 318.204 -0.877 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)N1CCOCC1)N1CCCC1=O 751386071 FQKWWUXFOONHFO-LBPRGKRZSA-N 312.370 -0.294 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CCOC1 752157103 XNXUABOWOTWOBO-QMMMGPOBSA-N 312.351 -0.403 50 20 DBGD COC(=O)[C@@]1(F)CCN(CC(=O)NNC(=O)C(C)(C)C)C1 752307742 DORVJJXGLYLSJY-CYBMUJFWSA-N 303.334 -0.233 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCNC(=O)C1 760304866 KWHMRCVQTZXXMO-JTQLQIEISA-N 315.333 -0.070 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnc(N(C)C)cn2)n1 770548921 IUFMJZBEWASYSX-UHFFFAOYSA-N 317.353 -0.183 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCC(=O)NC1 772023881 RAYRKGOHKFINMU-VHSXEESVSA-N 313.354 -0.362 50 20 DBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)C1CCC1 776942389 LUAOQZUZNLKOKY-NEPJUHHUSA-N 315.370 -0.063 50 20 DBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NN(C)C(N)=O 778417804 FTHFIQJUTWSXRJ-SNVBAGLBSA-N 318.341 -0.684 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)S(C)(=O)=O 785986466 ZYXNCQDXTBNMTJ-SSDOTTSWSA-N 308.356 -0.701 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C(N)=O)CC2)cc1C 798308632 ISUPYPPAJGSXBZ-UHFFFAOYSA-N 318.333 -0.345 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN[C@H]2C(=O)NCC[C@@H]2C)cc1 799345813 PPAPLFWTJVCJMO-SMDDNHRTSA-N 318.377 -0.130 50 20 DBGD CN(CC(=O)NNc1ncncc1F)c1ncnc2[nH]cnc12 817077503 MJCVSJWGQVEIFY-UHFFFAOYSA-N 317.288 -0.139 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1=O 824794094 KXDNJJOZZMGQGQ-YFKPBYRVSA-N 310.232 -0.583 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@H]1CCNC1 851672431 LQBNHPIBJDJPAV-JTQLQIEISA-N 302.338 -0.431 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 861946101 KRSHEQXTYJVESO-JTQLQIEISA-N 322.296 -0.501 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1cc(C)cs1 862478675 MCIXAFWWMNWNTE-UHFFFAOYSA-N 305.381 -0.243 50 20 DBGD Cc1csc(C(=O)NNC(=O)Cn2nc(C)n(C)c2=O)c1 862480489 WODRVKLVHZENTN-UHFFFAOYSA-N 309.351 -0.279 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(CN2CCOCC2)o1 878681480 SPDOLDPGEGHXCD-UHFFFAOYSA-N 310.354 -0.566 50 20 DBGD CC(=O)NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 879305980 PMWRCYPGENNTDQ-UHFFFAOYSA-N 303.278 -0.387 50 20 DBGD CC(C)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 915775939 AKZXRKVIQBMXKL-UHFFFAOYSA-N 317.342 -0.093 50 20 DBGD COC(=O)C(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21 1116197468 ADBKDYQYCXYZIC-UHFFFAOYSA-N 314.294 -0.004 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@]2(F)CCOC2)C[C@@H](C)O1 1117332002 GVPIFULLDCFIDP-GYSYKLTISA-N 317.361 -0.238 50 20 DBGD CN(C)C(=O)NNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1324764447 QEVFQFXBCBOVOJ-UHFFFAOYSA-N 316.339 -0.320 50 20 DBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1327268329 RGNAQAIOYZXUIM-UWVGGRQHSA-N 323.353 -0.278 50 20 DBGD Cc1noc(C)c1CN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1328803529 DKYOXQXPTYJVEP-SNVBAGLBSA-N 309.326 -0.257 50 20 DBGD CN1CCC[C@H](NC(=O)NNc2nncc(N)c2Cl)C1=O 1330367591 KHADFHJQPBREKF-ZETCQYMHSA-N 313.749 -0.041 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1cnn(C)c1 1338302164 OILBJDIBEKJISW-UHFFFAOYSA-N 312.355 -0.606 50 20 DBGD COCCCOCCC(=O)NN(C)C(=O)N1CCNCC1 1579016645 LDLJJSSHIIMUKD-UHFFFAOYSA-N 302.375 -0.582 50 20 DBGD O=C(CN1C(=O)CCOc2ccccc21)NNC(=O)[C@@H]1CCN1 1580546160 IBCLHNNDMHCJMI-JTQLQIEISA-N 318.333 -0.689 50 20 DBGD CC(C)(C)OC(=O)[C@H]1CC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1590357754 KTUICQUJCNMVPV-JGVFFNPUSA-N 315.326 -0.088 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)c1=O 1592582375 KPTZGOZXNCKXTC-UHFFFAOYSA-N 313.281 -0.888 50 20 DBGD O=C(O)[C@H](Cc1ccncc1)NCc1ccc(B(O)O)cc1 1594840801 KBXDFHALMJHOJM-AWEZNQCLSA-N 300.123 -0.453 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1csc(C(=O)O)n1 1601553764 UIYVHECKLZSROG-UHFFFAOYSA-N 300.296 -0.472 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1603060228 QIPRDOZWVNDANN-UHFFFAOYSA-N 303.326 -0.002 50 20 DBGD CNC(=S)N(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1604891831 HUNMUULBSOTSTI-UHFFFAOYSA-N 320.382 -0.254 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(OCC(=O)O)c2)nn1 1605481380 XDLPMNKSHGWJRQ-UHFFFAOYSA-N 319.277 -0.647 50 20 DBGD N#C/C(=C\c1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)O 1608170010 QIBUKNKJORYACQ-BJMVGYQFSA-N 303.274 -0.384 50 20 DBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNC(=O)NCC1CC1 1608329405 CKFYEPLCKGRSQT-SECBINFHSA-N 312.326 -0.950 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ccncc2Cl)c1=O 154807282 YATKQJVBEBTGDA-UHFFFAOYSA-N 309.713 -0.261 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 277885103 DZXFXMMYJRQWEF-CYBMUJFWSA-N 321.377 -0.194 50 20 DBGD NC(=O)Nc1cccc(C(=O)NNC(=O)N2CCOCC2)c1 299359546 IQKNZHIKLNXITL-UHFFFAOYSA-N 307.310 -0.136 50 20 DBGD Cn1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1=O 494641418 QFAXLUJIZAVDLY-UHFFFAOYSA-N 324.337 -0.329 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)c(F)c1)[C@H](C)COC 584945248 HAANAIOXWKUVCT-SNVBAGLBSA-N 313.134 -0.371 50 20 DBGD C[C@@H](CO)N1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584980064 PGGGULOFKVKJFP-NSHDSACASA-N 324.161 -0.966 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@]2(CCOC2)O1 584983936 PRPJBSAVARPZGU-BONVTDFDSA-N 323.129 -0.475 50 20 DBGD COC1([C@@H](C)NC(=O)c2cccc(B(O)O)c2)CCOCC1 585000841 OJUDWEKVTRXEGL-LLVKDONJSA-N 307.155 -0.320 50 20 DBGD COc1ccc(CN2C[C@H](C(=O)NCB(O)O)CC2=O)cc1 585062175 RGSNNDXCCXOALO-LLVKDONJSA-N 306.127 -0.828 50 20 DBGD COc1cccc(C(=O)NNC(=O)CSCC(=O)O)c1O 739944732 GQBYUWCOVVEMCS-UHFFFAOYSA-N 314.319 -0.020 50 20 DBGD COC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCCC1 754251398 BEFNFTVBVAOSNU-UHFFFAOYSA-N 320.349 -0.082 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1C 764299222 AGYMUXLLGHAAPM-UHFFFAOYSA-N 308.338 -0.207 50 20 DBGD Cn1ccc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)n1 782390635 AOXPBIQGPOQPFI-UHFFFAOYSA-N 316.317 -0.033 50 20 DBGD CCCNC(=O)CCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792854997 LUIYZNAPOHGFPJ-NSHDSACASA-N 319.427 -0.215 50 20 DBGD Cn1cc(C=NNC(=O)c2ccccc2O)c(=O)n(C)c1=O 807184069 SBZKFFPRHWOMRB-UHFFFAOYSA-N 302.290 -0.447 50 20 DBGD NC(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1 826389440 YNEDPNBKFJDORB-UHFFFAOYSA-N 301.310 -0.035 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NN=Cc1ccc(S(N)(=O)=O)o1 842550621 ZIRFCPRKFNGRRV-VXNVDRBHSA-N 301.324 -0.198 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2ncccn2)[C@H]2CCCC[C@@H]2N1 854952407 KSVTWDISELGLBS-VWYCJHECSA-N 317.349 -0.068 50 20 DBGD CC(=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862451262 LCZUADVJGIIPGM-GFCCVEGCSA-N 303.318 -0.142 50 20 DBGD CC(C)Oc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 862457950 UNHVNXOZTVCHCZ-JTQLQIEISA-N 306.322 -0.092 50 20 DBGD Cn1cc(C(=O)NN=Cc2cn(C[C@@H]3CCCO3)nn2)cn1 872352799 HJOICVBOIWPZPR-LBPRGKRZSA-N 303.326 -0.046 50 20 DBGD CO[C@@H]1CCOC[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1 898084049 GRKCREXWMMMNAH-GMTAPVOTSA-N 301.343 -0.310 50 20 DBGD C[C@@]1(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C[C@@H]1Br 909005054 KSQLRDSGKNWQNH-QMWPFBOUSA-N 301.140 -0.109 50 20 DBGD CCCN1CCC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 913243485 WLNQZINJBWTKGB-JTQLQIEISA-N 305.400 -0.700 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 1116407610 PSHVSNNQPBUVBM-GJMOJQLCSA-N 319.408 -0.131 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1261826906 FWYYUTMNQIKWRT-HLTSFMKQSA-N 318.399 -0.651 50 20 DBGD Cc1cc(NC(=O)NNC(=O)CCO)n(C2CCN(C)CC2)n1 1320280855 WYZFEZHSLSNKJF-UHFFFAOYSA-N 324.385 -0.007 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CC[C@H]1NC(=O)NC1=O 1328273070 LUNVGSCTGYUJMT-SNVBAGLBSA-N 320.305 -0.096 50 20 DBGD C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)n1ccnc1 1330192610 PKKZWJFQIPXODQ-GHMZBOCLSA-N 300.384 -0.064 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ncccc1F 1333779361 PUBGRWRXZODYTD-ZETCQYMHSA-N 301.299 -0.584 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1C[C@H]2COC[C@@]2(C(=O)O)C1 1588630872 MAGDFQMXOPIONG-XPTSAGLGSA-N 313.354 -0.787 50 20 DBGD COC(=O)[C@@H](CCC(=O)O)NC(=O)/C(C#N)=C/c1cnn(C)c1 1598891981 YOFVSIUJYJMVDY-IGLBNKAOSA-N 320.305 -0.150 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)cn1 1600946002 KBYKQLIZAKVLSH-RGEGJOEESA-N 304.306 -0.236 50 20 DBGD O=C(CN[C@@H](Cc1ccccc1)C(=O)O)NNC(=O)C1CC1 1601323161 BYZJWCZFVSAPSH-LBPRGKRZSA-N 305.334 -0.171 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)NC[C@H]1CCO[C@H]1C(=O)O 1601524892 KDIPJAQPIFTZRS-PSASIEDQSA-N 323.309 -0.671 50 20 DBGD CCN1CCO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1604345871 LUTHWKKUGPUVMF-SNVBAGLBSA-N 318.341 -0.575 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)[C@H](OC)C(=O)O)cc1 1604781857 GPSCUDXWOYOARB-LBPRGKRZSA-N 310.306 -0.125 50 20 DBGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1781213321 MTXAHWSMKBPRGX-ZWNOBZJWSA-N 303.790 -0.208 50 20 DBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(C)=O 1795335790 WWRIAZHPKZMWCC-USZNOCQGSA-N 304.774 -0.150 50 20 DBGD O=C(c1ccncn1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841351525 WXQNAVARHHNSJN-NSHDSACASA-N 324.768 -0.107 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2)O1 268315377 LLEPZNTZOHNZNH-MNOVXSKESA-N 306.322 -0.337 50 20 DBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)O1 268706083 UEHUQBHMMFYNQH-VXGBXAGGSA-N 320.349 -0.084 50 20 DBGD Cc1csc2ncc(C(=O)NNC(=O)CN(C)C)c(=O)n12 271837615 GXXACXNXTXYIHE-UHFFFAOYSA-N 309.351 -0.613 50 20 DBGD CC(C)(C)OCC(=O)NNC(=O)CNC(=O)c1cccnc1 272246766 ULAHUACKDWMIFY-UHFFFAOYSA-N 308.338 -0.226 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 363807531 WKAZFAZVGAUEKN-LBPRGKRZSA-N 314.301 -0.119 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 490879689 RXVZXFKDCIMJOE-CMDGGOBGSA-N 305.294 -0.108 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 496298738 AAFSTZQREDMJSR-YUMQZZPRSA-N 314.342 -0.830 50 20 DBGD CC[C@H]1C(=O)N(CC)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584974441 OUKKTYSXFRZITA-ZDUSSCGKSA-N 322.145 -0.412 50 20 DBGD CCCN1CCCN(C(=O)c2cccc(B(O)O)c2)CC1=O 584980234 UKCXFGSGWLFYQX-UHFFFAOYSA-N 304.155 -0.549 50 20 DBGD Cn1cncc1[C@@H]1C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584996297 DNNPEZDPFYHIQJ-ZYHUDNBSSA-N 303.102 -0.475 50 20 DBGD Cc1ncsc1C(=O)NCCNCc1ccccc1B(O)O 585021050 FIIVUXOIYQIEAE-UHFFFAOYSA-N 319.195 -0.349 50 20 DBGD COc1ccc([C@@H]2[C@@H](C(=O)NCB(O)O)CC(=O)N2C)cc1 585059450 OCQSWPNDYSEOAD-WCQYABFASA-N 306.127 -0.657 50 20 DBGD CCCNC(=O)CCNC(=O)NNC(=O)Cc1cccnc1 728949490 USVKJEQRIGQNJN-UHFFFAOYSA-N 307.354 -0.129 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCCCN1CCOCC1 732084379 CURQNIHPEHZVLF-UHFFFAOYSA-N 309.370 -0.018 50 20 DBGD CN(C)N(C(=O)COC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 733215444 RTULQRZTXPPSSL-NEPJUHHUSA-N 320.411 -0.326 50 20 DBGD CNC(=O)c1ccc(Cl)c(NC(=O)NNC(=O)CO)c1 755935160 YWPBLNSCGZAQOD-UHFFFAOYSA-N 300.702 -0.155 50 20 DBGD COCCC[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758046724 JNUYHKYLTDHRQW-IUCAKERBSA-N 309.388 -0.866 50 20 DBGD CN(C)CCC(=O)NNC(=S)NCC1CCN(C)CC1 760461525 AGNZBPPZBNXJTJ-UHFFFAOYSA-N 301.460 -0.225 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)nc1 765251034 WEBOUXULXVUWLE-GFCCVEGCSA-N 319.365 -0.299 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(=O)c1c(C)nn(C)c1C 771917893 VDDZBKRJKXIDRI-VIFPVBQESA-N 324.337 -0.291 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NCCCSC#N)C1=O 773594073 NXGMVVRXEWAQGO-UHFFFAOYSA-N 310.335 -0.316 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 774002517 QSRNGUCXONQHDO-ZCFIWIBFSA-N 317.323 -0.819 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)CO)c(OC)c1OC 777781747 DQOZOLSFDVAADK-UHFFFAOYSA-N 312.322 -0.215 50 20 DBGD C#CCOCCNC(=O)NNC(=O)CNC(=O)c1cccs1 784264062 VSUZFKJZPSBPCQ-UHFFFAOYSA-N 324.362 -0.542 50 20 DBGD O=C(NC[C@H]1CCCS1(=O)=O)NNc1nc2ccccn2n1 790428044 APYFRAFORHMEHW-SECBINFHSA-N 324.366 -0.067 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCO[C@H]2C[C@@H]21 814294876 OVPZEZSQJMFWQW-IUCAKERBSA-N 324.362 -0.308 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2ncccn2)CC1=O 841354645 QUEMATCACVDKFG-VIFPVBQESA-N 305.338 -0.115 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2NC(=O)O[C@H]2C)nc1C 841412648 CEIGOWHQCAPRPA-CBAPKCEASA-N 323.309 -0.098 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1 842590993 UYAWZNXNGXSKKA-KCJUWKMLSA-N 315.351 -0.175 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 843979628 PMXWQMDABNECDA-IQJOONFLSA-N 321.337 -0.665 50 20 DBGD CNC(=S)N(C)NC(=O)[C@](C)(O)Cn1c(C)cccc1=O 854920309 NBWALWVXERBHND-CYBMUJFWSA-N 312.395 -0.625 50 20 DBGD Cn1nncc1NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 857271175 CWCZSBLOIADTLY-QMMMGPOBSA-N 302.360 -0.928 50 20 DBGD COC(=O)[C@@H]1CC12CCN(C(=O)c1cccc(B(O)O)c1)CC2 863872188 BLHCVHMLBNUYKH-ZDUSSCGKSA-N 317.150 -0.218 50 20 DBGD CC[C@H](C)N(CC(=O)OC)C(=O)c1cc(B(O)O)ccc1F 863880538 CLOMIIGDFVWANJ-VIFPVBQESA-N 311.118 -0.081 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCN(C(C)C)C1 1116182105 UQARXSQSGWFTTL-SNVBAGLBSA-N 300.359 -0.390 50 20 DBGD CC(C)NC(=S)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1116345208 JYTQGCVDJVRDEZ-UHFFFAOYSA-N 313.339 -0.340 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1C 1116730044 VMKPNCDIHKSZFH-UHFFFAOYSA-N 313.697 -0.093 50 20 DBGD COc1cc2c(cc1S(=O)(=O)NNC(C)=O)OCC(=O)N2 1116898214 ITKSPDXDYRQLHI-UHFFFAOYSA-N 315.307 -0.645 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccncc2)ccn1 1117386579 BSZAMMFDDTUHSM-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1118910192 PJPLLYCGYUPOAF-MRVPVSSYSA-N 324.362 -0.788 50 20 DBGD O=C(NNC(=O)c1ccc(N2CCCC2)nc1)C(=O)NC1CC1 1318210016 KRDZCLFBXBGFFN-UHFFFAOYSA-N 317.349 -0.279 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2cnn(C)c2)c(C)n1 1320116248 JKWHUDXTVVBCEW-UHFFFAOYSA-N 306.326 -0.354 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)C2CC2)cccc1C(N)=O 1320224940 ZPSHAIOYWGICKL-UHFFFAOYSA-N 304.306 -0.410 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(S(N)(=O)=O)nc1 1322555943 SLWXRBRRHYJINQ-UHFFFAOYSA-N 315.380 -0.976 50 20 DBGD O=C(/C=C/C1CCOCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1322753098 SYDCBMJHYWQKQY-FMBMQGQPSA-N 316.379 -0.449 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC1=CCCOC1 1323302579 AOKZTILKLBTYNU-UHFFFAOYSA-N 322.321 -0.314 50 20 DBGD CN(C)N(C(=O)[C@@H]1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1329017768 MSWXAZAETMHNMZ-UWVGGRQHSA-N 324.424 -0.944 50 20 DBGD CN(C)N(C(=O)CO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1330178465 WQFYAPFZCQEYCS-MNOVXSKESA-N 306.384 -0.716 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc2ncccn12 1341145662 SSDAAWZGUGTGEK-QMMMGPOBSA-N 310.339 -0.883 50 20 DBGD CC(C)(C)n1nnc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1 1549312281 DEFNGSNDEONIOA-WDEREUQCSA-N 321.385 -0.259 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)[C@@H](C)N 1575416419 YDIWPINPZQYPFC-ZWNOBZJWSA-N 321.381 -0.422 50 20 DBGD Cc1ncc2n1C[C@@H](C(=O)NNC(=O)[C@H]1CCCNC1)CC2 1579877423 MYGOIJNKKJTNPE-RYUDHWBXSA-N 305.382 -0.099 50 20 DBGD C[C@@H](CC(=O)O)NC(=O)NNC(=O)COc1ccccc1O 1589001515 KVHFWDCUQMWGAN-QMMMGPOBSA-N 311.294 -0.035 50 20 DBGD CCNC(=O)c1ccc(CNC(=O)NNC(=O)C(=O)O)cc1 1596480188 XIFZJLPMBYXJFO-UHFFFAOYSA-N 308.294 -0.649 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@](COC)(C(=O)O)C1 1603486271 ITYBGZRDRAQELC-TVQRCGJNSA-N 301.343 -0.645 50 20 DBGD CN(NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 1604826792 KUPYASYTRNQTLY-UHFFFAOYSA-N 315.337 -0.278 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)COCC(=O)O)cc1 1610484882 MNBMGSASLSBCHF-UHFFFAOYSA-N 324.289 -0.600 50 20 DBGD CN(C)CC(=O)NNC(=O)CCNC(=O)Cc1ccccc1 113424995 BWPNWMGCFAWWTJ-UHFFFAOYSA-N 306.366 -0.556 50 20 DBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)COc1ccccc1O 268315547 DDQZQROVWKVQEG-SECBINFHSA-N 324.337 -0.245 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)n1 268441464 KOURGTSUOYQHRJ-DTWKUNHWSA-N 324.341 -0.547 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(Cl)n1 273355923 BYFIICXEWROUPX-ZCFIWIBFSA-N 320.758 -0.566 50 20 DBGD CCn1nc(C)c(CC(=O)NNC(=O)C(=O)N2CCCC2)c1C 292266810 WJGVWENLSBTGAP-UHFFFAOYSA-N 321.381 -0.168 50 20 DBGD Cn1cc(C=NNC(=O)NCCNC(=O)OC(C)(C)C)nn1 494057153 ALLDUUHWKVBISO-UHFFFAOYSA-N 311.346 -0.027 50 20 DBGD CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(B(O)O)c1 584909428 CYZSWEYAQJLKEY-ZDUSSCGKSA-N 304.155 -0.048 50 20 DBGD NC(=O)C[C@H](NC(=O)c1ccc(B(O)O)cc1)C1CCCCC1 584956607 DVFWNMVHIXZZSA-AWEZNQCLSA-N 318.182 -0.080 50 20 DBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)N1CCCCC1=O 584979655 APXGEPHTLKTLFC-LLVKDONJSA-N 304.155 -0.503 50 20 DBGD Cn1nc(NC(=O)c2ccc(B(O)O)cc2)nc1C(C)(C)C 585002965 IWXPJMZEISZVPQ-UHFFFAOYSA-N 302.143 0.045 50 20 DBGD CCCN1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CC1=O 585003498 REMVFBVRPCQRMZ-JTQLQIEISA-N 308.118 -0.754 50 20 DBGD Cc1nc(O)c(C#N)c(C)c1CCC(=O)NNC(=O)CN(C)C 727761445 FMHJPKGIILOKCV-UHFFFAOYSA-N 319.365 -0.083 50 20 DBGD Cn1cc(C(=O)C(=O)NNC(=O)COCc2ccccc2)cn1 737629119 HQTKQEYJWRQZMQ-UHFFFAOYSA-N 316.317 -0.033 50 20 DBGD CC(=NNC(=O)C(N)=O)c1c(F)cccc1N1CCOCC1 741160443 PDQKXRNRSWQHDG-UHFFFAOYSA-N 308.313 -0.012 50 20 DBGD CN1CCC(NC(=S)NNC(=O)N2CCOCC2)CC1 745729285 GZUFXFJGQOPRGN-UHFFFAOYSA-N 301.416 -0.499 50 20 DBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ccc(F)cc2)c1 749188395 JGMVMDOFSNERKY-UHFFFAOYSA-N 313.314 -0.187 50 20 DBGD O=C(NC[C@@H]1CCCCS1)NNC(=O)C(=O)NC1CC1 753256107 QXRLXQXPBJBZDK-VIFPVBQESA-N 300.384 -0.119 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)CO)cc1NS(C)(=O)=O 756518190 ZWDJJHFOOJMWOT-UHFFFAOYSA-N 316.339 -0.488 50 20 DBGD Cc1cc(C=NNC(=O)CO)c(C)n1CCN1CCOCC1 776776061 NTOJXSZWRGOJPO-UHFFFAOYSA-N 308.382 -0.120 50 20 DBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccccn1 777469232 GTGUPHLTJWOFKP-SECBINFHSA-N 324.366 -0.375 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 789950171 OVXQUXQYYIUHSP-UHFFFAOYSA-N 303.278 -0.041 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCNC(=O)C1 790065252 KNBOGMRIRPTYSA-SECBINFHSA-N 301.343 -0.551 50 20 DBGD C[C@](O)(C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCC1 813378015 LHQUFDZLULVRPZ-QPUJVOFHSA-N 304.368 -0.880 50 20 DBGD C[C@H](C(=O)NNC(=O)N(C)C)N1C(=O)c2ccccc2C1=O 813427782 NAEVCNYUOBWBJP-MRVPVSSYSA-N 304.306 -0.027 50 20 DBGD CCNC(=O)[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C(C)C 815133421 YLWKUJDIECZDGY-NSHDSACASA-N 300.403 -0.070 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)c2nccn2c1 815570144 SUXZMJZNFISWBP-UHFFFAOYSA-N 319.321 -0.235 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C 819875795 IIBCEKZYIUMOOK-LPEHRKFASA-N 305.400 -0.102 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 823905655 JWRVIXKEBZQBNH-RKDXNWHRSA-N 312.326 -0.967 50 20 DBGD N#Cc1ccc([C@@H](NNC(=O)[C@@H]2COCCO2)C(=O)O)cc1 833071323 DYZRMSSECROVKW-NWDGAFQWSA-N 305.290 -0.280 50 20 DBGD COCCN(C)NC(=O)CCCS(=O)(=O)N1CCCC1 837621990 POUNLXUPMFQSNK-UHFFFAOYSA-N 307.416 -0.198 50 20 DBGD COCC(COC)N1CCN(S(=O)(=O)CCl)CC1 841553489 AMESNKRHCWNYMK-UHFFFAOYSA-N 300.808 -0.209 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(NC(=O)OC)CC1 852767447 SPKDQMBWPJOUSV-SECBINFHSA-N 300.359 -0.247 50 20 DBGD O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1CCC(=O)N1 862456685 RFTKBSDRZHUWRQ-NSHDSACASA-N 320.305 -0.047 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3c(cc2O)OCO3)N1 862457891 SVNCCLKUBKOSAA-ZETCQYMHSA-N 307.262 -0.840 50 20 DBGD CSCc1cccnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462248 OUJSLKQQIFFVMZ-VIFPVBQESA-N 308.363 -0.016 50 20 DBGD CCSc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 863461365 FGULDZHNJKRYJA-UHFFFAOYSA-N 317.392 -0.001 50 20 DBGD Cc1nc2ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc2n1C 863466057 LYRFSRSJMZPHGX-UHFFFAOYSA-N 324.362 -0.313 50 20 DBGD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CC[C@@H](B(O)O)C3)cc21 864234019 OKEINVISKPSYFR-MRVPVSSYSA-N 320.114 -0.162 50 20 DBGD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CC[C@H](B(O)O)C3)cc21 864234022 OKEINVISKPSYFR-QMMMGPOBSA-N 320.114 -0.162 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(CCC#N)CC1 868735205 DVBVPJGFZJCJIE-VXGBXAGGSA-N 309.370 -0.317 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(CCN(C)C)c1 869068213 NYMBWAJLFBHWFB-PWSUYJOCSA-N 309.370 -0.369 50 20 DBGD C[C@H](C(=O)NNC(=S)NC(C)(C)C)N1CCN(C)CC1 899995604 XKPHWZMULOZVHU-SNVBAGLBSA-N 301.460 -0.084 50 20 DBGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)n1 1116620509 CXMVZRCFYGCGHI-UHFFFAOYSA-N 323.353 -0.194 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@]1(F)CCOC1 1117398085 YREPTIHKIIPQEB-CYBMUJFWSA-N 311.317 -0.115 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1251678544 DZOXPJUAYDAZPO-LMLFDSFASA-N 301.343 -0.312 50 20 DBGD COCCN1CC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 1318641234 HHUVSFHJLFIXIG-LLVKDONJSA-N 310.358 -0.915 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)c1cnn(C)c1 1318946932 LCJGINYKECOQMY-VIFPVBQESA-N 319.321 -0.306 50 20 DBGD CCONC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1320732546 ZVORSCYSBXIAPQ-UHFFFAOYSA-N 315.355 -0.125 50 20 DBGD COc1ncncc1NC(=O)C(=O)NNc1cc(C)nc(C)n1 1324334967 KVEPXLMCNYAOFP-UHFFFAOYSA-N 317.309 -0.026 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1328701039 AEBHGJQNTWJDKA-VHSXEESVSA-N 316.427 -0.225 50 20 DBGD COC1(OC)CCOC[C@H]1NCC(=O)NNC(=O)C(C)C 1335067355 JBIRWMIZOPIGFN-SNVBAGLBSA-N 303.359 -0.843 50 20 DBGD C[C@@H](C[C@@H](C)N)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1345781514 VQPHPSFLOBRTOB-BDAKNGLRSA-N 308.342 -0.524 50 20 DBGD COCCn1cc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cn1 1549320283 YTLHCEBYMFMPSU-UONOGXRCSA-N 321.381 -0.157 50 20 DBGD COc1cccc([C@H](CNC(=O)NNC(=O)C(=O)O)OC)c1 1599658693 VTTLOHVFHJGWCS-JTQLQIEISA-N 311.294 -0.202 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@]2(C(=O)O)CCCO2)cc1 1605597348 NOLXROHWCQFPCO-AWEZNQCLSA-N 303.274 -0.047 50 20 DBGD Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)NNC(=O)C(=O)O)cn1 1608109452 CWGPPUVVVGHDJK-UWVGGRQHSA-N 309.326 -0.454 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@]1(CC(=O)O)CCOC1 1609690448 FAPPWBUSXZVKKV-QMTHXVAHSA-N 315.370 -0.208 50 20 DBGD CCOC(=O)NNC(=O)CCNS(=O)(=O)c1cccnc1 47430070 YPSCERZHIDZPEO-UHFFFAOYSA-N 316.339 -0.473 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)NCc1ccco1 138923614 JEGWQOVJSXAYME-UHFFFAOYSA-N 308.254 -0.085 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccc[nH]1 178085748 NSIBTNLFWMGGQO-MRVPVSSYSA-N 302.294 -0.448 50 20 DBGD CO[C@H](C)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 491498537 IRJRZDOAERQBAC-MRVPVSSYSA-N 304.347 -0.124 50 20 DBGD Cc1nnc2n1CCC[C@@H]2NC(=O)c1cc(B(O)O)ccc1F 584961631 YCBFUZMEXKRHEK-LBPRGKRZSA-N 318.117 -0.330 50 20 DBGD O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(B(O)O)cc1 584968522 LPGWCAYNPDLJTQ-HUUCEWRRSA-N 318.182 -0.651 50 20 DBGD CC(C)[C@@H](C(=O)NCB(O)O)S(=O)(=O)C1CCCCC1 585059521 QKAHLTVOFKICHS-NSHDSACASA-N 305.205 -0.113 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=S)NCC(N)=O)cc1C 727068959 NHTHEQNDMDSVAM-UHFFFAOYSA-N 323.378 -0.777 50 20 DBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)C1CCC1 732143280 ZMOKSBFBQCJLAP-UHFFFAOYSA-N 301.306 -0.261 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@H](C)CN1CCOCC1 739050165 SRJZQKCMHPXHCA-NSHDSACASA-N 302.375 -0.678 50 20 DBGD O=C(O)COc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1 744824141 PPUFOBJRJQNLMA-UHFFFAOYSA-N 305.290 -0.121 50 20 DBGD COc1cc(C)nc(NNC(=O)CN2CCC(=O)NC2=O)n1 746623962 PSAMOAXJPDXWFA-UHFFFAOYSA-N 308.298 -0.821 50 20 DBGD CC(=O)NNC(=O)CC[C@H](CC(C)C)C(=O)NNC(C)=O 759185202 VBAUISJGTNCPLF-LLVKDONJSA-N 300.359 -0.237 50 20 DBGD C[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)CCS1(=O)=O 760000344 WGSRKRHUODDSEI-SNVBAGLBSA-N 319.427 -0.311 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCN(C(=O)CC)C1 772215490 SSXPLZXISPTGSF-UWVGGRQHSA-N 313.354 -0.266 50 20 DBGD CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2O1 785990376 FOKNVWDVBXZWFY-CQSZACIVSA-N 323.305 -0.338 50 20 DBGD COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)NNC(=O)C(C)(C)C)C1 830870919 FHKRHCZIWMXYNN-NXEZZACHSA-N 315.370 -0.964 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@]1(C(=O)O)CCOC1 833473877 PZGLNTHXOPZCAW-NOZJJQNGSA-N 301.343 -0.598 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 843653631 CPGXLYJANVUWAW-BXKDBHETSA-N 305.334 -0.100 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1ncc(F)cn1 845895974 XLCJMUJHUGVFDL-UHFFFAOYSA-N 307.289 -0.547 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)[C@H]2CCCCO2)n1 848157137 DNYCMWYMHCYFTN-GFCCVEGCSA-N 309.370 -0.225 50 20 DBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)[C@@H]1CCCCO1 848158733 XNLJBEFZDMQTAZ-LBPRGKRZSA-N 307.354 -0.127 50 20 DBGD CCC[C@@H](NC(N)=O)C(=O)NN(C)C(=S)NCCCOC 854282153 FIQVWYNOOUHRAF-SECBINFHSA-N 319.431 -0.303 50 20 DBGD Cn1c(O)nc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccc21 862451604 FHOSZCRXLWOIDQ-QMMMGPOBSA-N 317.305 -0.682 50 20 DBGD Cc1cccn2cc(CC(=O)NNC(=O)[C@H]3CCC(=O)N3)nc12 862455156 ZMNRNFRCSZOJQA-LLVKDONJSA-N 315.333 -0.389 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 873976064 OVQGVVFJWVAYDE-UHFFFAOYSA-N 306.365 -0.190 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN2C)C[C@H](C)O1 895511946 ZJORLDBERCFOAL-AVGNSLFASA-N 312.414 -0.273 50 20 DBGD COCCOCC(=O)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2 913433665 MNPBKICDTWHRIX-LNLATYFQSA-N 306.746 -0.274 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 914718578 IVQDDNKVTJEKRV-SECBINFHSA-N 312.370 -0.695 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(C(=O)OC)cn1 920862048 JYIADBVEBUBGMG-UHFFFAOYSA-N 310.310 -0.151 50 20 DBGD CC(=O)NNC(=O)Cc1ccc(CC(=O)NNC(C)=O)cc1 1117778617 ZQCOQXVGZUUGGP-UHFFFAOYSA-N 306.322 -0.894 50 20 DBGD Nc1cnnc(NNC(=O)Cc2nc3ncccn3n2)c1Cl 1319213987 BUSLFUGNROGWCI-UHFFFAOYSA-N 319.716 -0.164 50 20 DBGD O=C(NC[C@@H]1CCSC1)NNC(=O)C(=O)N1CCCC1 1320990780 KUVXVAKHOCPNLS-VIFPVBQESA-N 300.384 -0.308 50 20 DBGD CC(C)(CCNC(=O)NNC(=O)c1cn[nH]c1)S(C)(=O)=O 1328798124 AYSYXNYMNIHCFQ-UHFFFAOYSA-N 317.371 -0.433 50 20 DBGD Cn1ncc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cnc21 1331692259 WXGJPDUTWILUJZ-VIFPVBQESA-N 302.294 -0.992 50 20 DBGD Nc1cnnc(NNC(=O)NCCN2CCCC2=O)c1Cl 1332588830 POEBBXSHZCCIKI-UHFFFAOYSA-N 313.749 -0.039 50 20 DBGD O=C(NNC(=O)c1ccn(-c2ccncc2)n1)C(=O)NC1CC1 1339174298 LRDFJZIGEYOSHE-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(OC(F)F)cc1 1342607192 LUPQSQFFNSQOEW-UHFFFAOYSA-N 317.248 -0.244 50 20 DBGD CCOCCONC(=O)NNC(=O)C(=O)Nc1ccccn1 1342977720 GRLKHCMGPGLFCC-UHFFFAOYSA-N 311.298 -0.681 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ncccc1C(=O)O 1573928497 AKVHEMJMSBIALC-SSDOTTSWSA-N 316.339 -0.449 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CO1 1574687138 ROBWJHNJFRYDHM-GXSJLCMTSA-N 322.321 -0.074 50 20 DBGD C[C@H]1Cn2nc(C(=O)NNC(=O)NCC(F)(F)F)cc2CN1 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COc1nc2sccn2c1C=NNC(=O)CS(C)(=O)=O 863187601 BTSXBTWOEKJTRF-UHFFFAOYSA-N 316.364 -0.101 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 863867171 TUDHCMIRIRQQEX-QYTUQVAYSA-N 317.411 -0.102 50 20 DBGD CC(C)(C)OC(=O)C1CN(C(=O)c2ccc(B(O)O)cc2)C1 863884082 XUMOOHIYBBIDBA-UHFFFAOYSA-N 305.139 -0.220 50 20 DBGD COc1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1O 920826481 LXWIOCXKYCUTJU-UHFFFAOYSA-N 307.306 -0.216 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1ccncc1 1261786341 CSWFMUDGSQMCIO-VIFPVBQESA-N 311.367 -0.367 50 20 DBGD C=CCOCCCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318723380 JCWNFBOUOAWZDR-SNVBAGLBSA-N 304.368 -0.449 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(-n2ccnc2)cc1 1318882519 MXEUCUUXVCSELX-UHFFFAOYSA-N 317.305 -0.124 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCCS(C)(=O)=O 1319039831 SGYIZQAXRIPJGU-UHFFFAOYSA-N 321.399 -0.737 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OCCOC)nc1 1320231728 HDAWPRZKOLGEGF-UHFFFAOYSA-N 310.310 -0.397 50 20 DBGD CCN(C)C(=O)CNC(=O)NNc1nncc(N)c1Cl 1320719331 DDYCHAVKIYDRDQ-UHFFFAOYSA-N 301.738 -0.183 50 20 DBGD Cc1ncc2n1CC[C@H](C(=O)NNc1nccn(C)c1=O)C2 1324610065 CJQHYGFECSZJRZ-JTQLQIEISA-N 302.338 -0.009 50 20 DBGD Cc1nc(C(=O)NN[C@@H](C)C(F)(F)F)nn1-c1nc[nH]n1 1330099412 OXFZRMGTHCUFDQ-BYPYZUCNSA-N 304.236 -0.121 50 20 DBGD O=C1CC[C@H](C(=O)NN=Cc2cnc(N3CCOCC3)s2)N1 1330142351 IPKMLYJVXUROLF-SNVBAGLBSA-N 323.378 -0.292 50 20 DBGD CS(=O)(=O)N1CCC(=NNC(=O)C2CCOCC2)CC1 1333213936 CMGIXVOUKXFOBP-UHFFFAOYSA-N 303.384 -0.059 50 20 DBGD Cn1nc2ccccc2c1C(=O)NNC(=O)CN1CCCC1=O 1334261477 YCNANPZFGNNWHK-UHFFFAOYSA-N 315.333 -0.043 50 20 DBGD CC#CC[C@H](N)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1574972556 NKJCQPYRLWFYHW-LBPRGKRZSA-N 323.374 -0.408 50 20 DBGD O=C(NNC(=O)c1c[nH]nc1[C@H]1CCNC1)c1ccccn1 1580737626 UFWLGVIDBMSPCX-VIFPVBQESA-N 300.322 -0.044 50 20 DBGD COc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)C(C)(C)O 1591482744 SYWLFWFEWFAQDQ-UHFFFAOYSA-N 320.309 -0.593 50 20 DBGD O=C(C[C@H]1CC(=O)NC1=O)NNc1cccc(-c2nn[nH]n2)c1 1592809978 AXYUOZGWTSDOBR-MRVPVSSYSA-N 315.293 -0.637 50 20 DBGD O=C(O)C1=NO[C@H](C(=O)NNC(=O)c2cccc(Cl)n2)C1 1594888339 CILUEACOJCYENI-ZETCQYMHSA-N 312.669 -0.275 50 20 DBGD CN(C)N(C(=O)c1c[nH]c(C(=O)O)c1)[C@H]1CCS(=O)(=O)C1 1598257368 JUFFAPNGFWZEEC-VIFPVBQESA-N 315.351 -0.181 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@]2(O)CCOC2)o1 1603406822 CNAKSKCFDPQNFW-LBPRGKRZSA-N 323.313 -0.427 50 20 DBGD O=C(O)CC1(NC(=O)c2ccc(B(O)O)cc2)CCOCC1 1606081225 CYNVOOPLFHWLMV-UHFFFAOYSA-N 307.111 -0.880 50 20 DBGD CC(C)Cn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)cn1 182946180 OUWANKVPYRCKJS-UHFFFAOYSA-N 307.354 -0.078 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)C(=O)N1CCCC1 268134848 BHXIYLUENRZLOV-UHFFFAOYSA-N 323.353 -0.814 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCC(=O)N2)nc1C 272149136 FUSRYYJHCLVJSL-VIFPVBQESA-N 307.310 -0.317 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)CC1CC1 294271198 UZORQBGHTOZXGV-UHFFFAOYSA-N 300.340 -0.766 50 20 DBGD Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NNC(=O)CO)cc1 368266657 XXBFBGRFYQQNEB-LBPRGKRZSA-N 305.334 -0.374 50 20 DBGD COC(=O)NNC(=O)CCCCCC(=O)NNC(=O)OC 495367524 QCTJJVQJLMYNJG-UHFFFAOYSA-N 304.303 -0.289 50 20 DBGD NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(B(O)O)cc1 584937268 RCLZRNYBELCHQJ-BNOWGMLFSA-N 316.166 -0.375 50 20 DBGD O=C1CN(C(=O)c2cccc(B(O)O)c2)[C@@H]2CCCC[C@@H]2N1 584957361 GAEYNSXAQHVCHP-QWHCGFSZSA-N 302.139 -0.750 50 20 DBGD CC(=O)N1CCC[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 584985174 HPFBVJDCBCAZDV-GFCCVEGCSA-N 304.155 -0.645 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@@]12CCOC2 584985632 OZYCHKAUCAFERO-AWEZNQCLSA-N 309.102 -0.863 50 20 DBGD CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(B(O)O)ccc1F 584993569 XFRIMXSZUPOIBK-SNVBAGLBSA-N 324.161 -0.212 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CS(=O)(=O)CC(C)C 732086880 MRILFZOLHYYLNK-UHFFFAOYSA-N 302.356 -0.450 50 20 DBGD COC[C@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCO1 741794322 JAKVPVHHNDVOII-VXGBXAGGSA-N 301.387 -0.084 50 20 DBGD O=C(CCn1cccc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746164597 YEZKHMUHGQXHCH-JTQLQIEISA-N 314.367 -0.604 50 20 DBGD COc1ccnc(NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 748711907 YQPGJHUWSXLRKO-UHFFFAOYSA-N 320.265 -0.302 50 20 DBGD CCNC(=O)NNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 756813756 WEKLYRJAJQUUCG-OAHLLOKOSA-N 320.349 -0.256 50 20 DBGD C[C@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1cccc(C#N)c1 761111013 CEIBDHWMHMTLGB-GXFFZTMASA-N 302.334 -0.226 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 764302814 JEJJHAGSHLFQQT-UHFFFAOYSA-N 305.212 -0.164 50 20 DBGD O=C(CCCNC(=O)c1cccnc1)NNC(=O)c1cnn[nH]1 772453850 RSPKDURQYJEWRW-UHFFFAOYSA-N 317.309 -0.829 50 20 DBGD Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)CO)C(C)C)cc1 777781955 SWHIIUAUMRZKGP-CYBMUJFWSA-N 307.350 -0.111 50 20 DBGD O=C(CO)NNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 777782962 ZELAKKNAKUXWFD-ZDUSSCGKSA-N 311.313 -0.661 50 20 DBGD O=C(CSCC(=O)N1CCOCC1)NN=c1cc[nH]cc1 780761105 IRLHOSBPPPCVII-UHFFFAOYSA-N 310.379 -0.461 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)Nc1ccccc1C 798311261 LQWXHDZWTNKDIC-UHFFFAOYSA-N 300.340 -0.303 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)Nc1ccc(N(C)C)cc1 802122863 DOCFTDXKKYHBND-UHFFFAOYSA-N 308.342 -0.166 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 823114758 CQZHUDKXLXWYJA-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD CCN(CCO)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 823838958 ZQEDRWILBMYPDL-UHFFFAOYSA-N 304.354 -0.006 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NCC(Cl)Cl)C1=O 837649956 YXMXRCCTYNBAJK-UHFFFAOYSA-N 308.121 -0.117 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H]3CNC[C@@H]3C2)cc1 843378112 RWXFYTBVHSSIPO-OKILXGFUSA-N 302.378 -0.093 50 20 DBGD COC(=O)C12CC(C(=O)NNC(=O)Cn3nc(C)cc3C)(C1)C2 843753420 HVYAZMOOJDLCCD-UHFFFAOYSA-N 320.349 -0.009 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1ccc(C#N)cn1 843980799 WUROVYNBEDKCNJ-KOLCDFICSA-N 303.322 -0.062 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2cccnn2)C1 845420777 VEOFPXMRIRLDRZ-MRVPVSSYSA-N 300.344 -0.863 50 20 DBGD CO[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)C(F)(F)F 846640931 XQTOPEBSWPXWDU-MRVPVSSYSA-N 312.292 -0.058 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1 847287215 PQLUTJGQRNGWNI-NEPJUHHUSA-N 316.317 -0.404 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H](CO)C2CCCCC2)N1 858697022 PLBMHWLLECFGAE-QWRGUYRKSA-N 312.370 -0.463 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 863458774 GKOVYHFGFNRMLE-UHFFFAOYSA-N 300.340 -0.906 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)CCOCCN)cc1 863555677 USDGMHBTWDSKIZ-UHFFFAOYSA-N 308.382 -0.337 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN1CCOC1=O 873835380 WWOOZZYIPYPFSE-UHFFFAOYSA-N 304.372 -0.687 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(OCC(N)=O)CC1 1319426725 DLTCPOHTJMZOIX-UHFFFAOYSA-N 314.386 -0.854 50 20 DBGD COC(=O)c1ccc(NNC(=O)CC[C@H]2NC(=O)NC2=O)nc1 1319762689 XVBZCDUQAWPMQW-MRVPVSSYSA-N 321.293 -0.701 50 20 DBGD O=C(NNC(=O)c1ccc(OC(F)F)cn1)C(=O)NC1CC1 1320406697 AUJIVQAIXJAHJD-UHFFFAOYSA-N 314.248 -0.277 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](n2cncn2)C1 1320565775 OPBISTGYYKJWSW-LBPRGKRZSA-N 315.337 -0.097 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ncccn1 1322451295 AWHWMIKZEDLTSV-SNVBAGLBSA-N 306.326 -0.953 50 20 DBGD Cn1ccc(CCNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n1 1323889470 MYZZPFCAAKAIEK-LBPRGKRZSA-N 315.399 -0.656 50 20 DBGD CC(C)CC(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 1324210736 QUPCOBBGMCIGAB-UHFFFAOYSA-N 306.388 -0.746 50 20 DBGD CCc1csc(CC(=O)NNC(=O)CS(C)(=O)=O)n1 1330168412 MRMSCCJFCWOLGQ-UHFFFAOYSA-N 305.381 -0.560 50 20 DBGD O=C(c1cc(N2CC[C@H](B(O)O)C2)ccn1)N1CCOCC1 1337601079 DPQXRNMLMLFGQM-NSHDSACASA-N 305.143 -0.393 50 20 DBGD COCc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)no1 1340940039 WSPUKERMVXBUBQ-SSDOTTSWSA-N 304.328 -0.791 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)NCC(F)(F)F 1344525102 YHLNBEUVVHPRAH-YFKPBYRVSA-N 305.278 -0.440 50 20 DBGD COC[C@]1(C(=O)NNC(=O)c2ccccc2C)CNCCO1 1578976659 GNHSYTTZJIOUII-HNNXBMFYSA-N 307.350 -0.239 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1cccc(F)n1 1592941795 JTYIXYVZSPOLMW-UHFFFAOYSA-N 304.249 -0.864 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)C(=O)N1c1ccccc1 1594254830 GFVIXTXLMGLSDX-WCBMZHEXSA-N 320.305 -0.405 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@]2(C(=O)O)CC=CCC2)nn1 1594649927 FURPJTMNRUBFJF-CYBMUJFWSA-N 305.294 -0.170 50 20 DBGD Cc1cc(NNC(=O)C(=O)Nc2cc(C(=O)O)n(C)c2)ncn1 1600283398 PQLZKFOQONGDQL-UHFFFAOYSA-N 318.293 -0.096 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](O)[C@H]2C(=O)O)cn1 1600945999 KBYKQLIZAKVLSH-AMYKANGRSA-N 304.306 -0.236 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1COc2c(F)cc(F)cc2C1 1601552866 LIUKSYVRLOLINK-SSDOTTSWSA-N 315.232 -0.317 50 20 DBGD CC(C)C[C@@H](CNC(=O)NNC(=O)c1cn(C)nn1)C(=O)O 1603010773 WOWOVANWCQAYRU-QMMMGPOBSA-N 312.330 -0.494 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)CC(C)(C)C(=O)O 1604834721 MCTKENYAUWMVOA-JGVFFNPUSA-N 308.356 -0.527 50 20 DBGD CN(C)C(=O)NNC(=O)CNC(=O)c1cc(F)cc(F)c1 194507306 ARGSFYGCGXNNTF-UHFFFAOYSA-N 300.265 -0.003 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)C1CCC1 264780201 QAZUOEAUPJMSAQ-UKJIMTQDSA-N 317.345 -0.259 50 20 DBGD COc1ccnc(NNC(=O)NCCCS(C)(=O)=O)n1 264856397 MOYLTDUCHLJBLK-UHFFFAOYSA-N 303.344 -0.454 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCCS2(=O)=O)o1 267686215 FTBAORIDOSKUMI-UHFFFAOYSA-N 301.324 -0.615 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCCS1 268332447 NBMDWMWMZDUEDE-LBPRGKRZSA-N 300.384 -0.119 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cccc(C(=O)OC)c1 273051871 WTNCOKSZJWLOIY-UHFFFAOYSA-N 301.324 -0.535 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CN1CSCC1=O 276654324 ZLDIBIUHMDATMG-UHFFFAOYSA-N 319.383 -0.544 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1ncccn1 280905735 TZKOHKCYMBLHFY-CQSZACIVSA-N 303.322 -0.159 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 293854823 HWLPMOBSPKMYMH-YUMQZZPRSA-N 310.310 -0.178 50 20 DBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)OC(C)(C)C 490915205 LIZFREILMHLYPJ-UHFFFAOYSA-N 310.376 -0.335 50 20 DBGD Cc1ncc2c(n1)CCN(C(=O)c1cc(B(O)O)ccc1F)C2 584928211 BNLDJBIHUNTRFM-UHFFFAOYSA-N 315.113 -0.198 50 20 DBGD CS(=O)(=O)CCCCCNC(=O)c1cccc(B(O)O)c1 584978237 XFWQOSHNSOSUAU-UHFFFAOYSA-N 313.184 -0.689 50 20 DBGD COCC(=O)N1CCC(NCc2ccc(B(O)O)cc2)CC1 585023077 CLXNWQDHVJGYNP-UHFFFAOYSA-N 306.171 -0.907 50 20 DBGD OB(O)c1ccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)o1 585028222 HCFGWNUNJGGBNL-UONOGXRCSA-N 308.187 -0.308 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)cc1F)c1nnc2n1CCC2 585034938 VRQXGJIILSHTQA-SECBINFHSA-N 304.134 -0.106 50 20 DBGD O=Cc1ccccc1OCC(=O)NNC(=O)N1CCOCC1 727377599 NGGWXQHJWPECOI-UHFFFAOYSA-N 307.306 -0.049 50 20 DBGD CO[C@]1(C)C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 745935992 WPLGTVYADFKMGN-YMTOWFKASA-N 312.370 -0.201 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1cc(C)[nH]n1 763118571 FSHAGDTUEOHBJM-UHFFFAOYSA-N 317.371 -0.849 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)NCCCOC)nc1C 768038261 BGWDFZSKZTUBCV-UHFFFAOYSA-N 319.387 -0.260 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-] 772234446 JKEOPNQDZRNXRX-LURJTMIESA-N 313.270 -0.569 50 20 DBGD COc1nccnc1NNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O 791225853 QRWQEUOLMBFAKJ-JGVFFNPUSA-N 302.356 -0.003 50 20 DBGD CCCN1CC[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1 823053496 AFYYWPZDVRWNFZ-WCQYABFASA-N 318.443 -0.148 50 20 DBGD N#Cc1ncn(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1 826387992 CYELVFAXXGTCMX-UHFFFAOYSA-N 310.281 -0.527 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cnc(C(=O)O)n2)c1 832963548 XOSNWRPVJWQGNV-UHFFFAOYSA-N 303.278 -0.254 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 854926191 WROXQBCSUPBQNQ-ZCFIWIBFSA-N 312.317 -0.136 50 20 DBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)c2cc[nH]n2)CC1 855357190 CRZHLKNJQBIJTQ-UHFFFAOYSA-N 300.340 -0.614 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)NOCCN2CCCC2=O)cn1 856043875 MJDSSKMOJAMRTM-KPKJPENVSA-N 303.322 -0.003 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC([C@@H]3CCOC3)CC2)N1 858699632 VJNBTIFBELNDEI-NEPJUHHUSA-N 324.381 -0.246 50 20 DBGD CCO[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 858750075 KCVSRBNRMNDDTC-VHSXEESVSA-N 319.383 -0.681 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862448840 HQPDAHBFOJXLCU-SNVBAGLBSA-N 305.290 -0.487 50 20 DBGD CC(=O)NNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 912691801 DZUXCFFMMRGEAR-UHFFFAOYSA-N 312.307 -0.047 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc2c(=O)[nH]ccc2c1 1117128209 KKOLSARMZAMHRC-UHFFFAOYSA-N 310.335 -0.480 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccnc1N(C)C 1261128609 XKJHRGWAARYSCE-SECBINFHSA-N 313.383 -0.465 50 20 DBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2cccnc2)C1 1318320065 CQYLOZGRPJRFCR-NSHDSACASA-N 305.338 -0.438 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1C(N)=O 1320672293 ALGQIOCVEWUWDC-UHFFFAOYSA-N 316.339 -0.741 50 20 DBGD Cn1nnc2c(C(=O)NNC(=O)NCC(F)(F)F)ccnc21 1322744972 JMIAZABPWNWSAC-UHFFFAOYSA-N 317.231 -0.130 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cnn(C)c1C 1323050918 COJOIUOLWYPLJN-JTQLQIEISA-N 313.358 -0.390 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1ccc(C(F)(F)F)nn1 1324432761 NSUZYHPTZKVMLS-UHFFFAOYSA-N 318.215 -0.510 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1c(Cl)nc(N)n1C 1324474411 URZCRMBLYUBANV-RXMQYKEDSA-N 322.778 -0.957 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C)oc2c1 1326089894 QHFWRWHWSZOCJF-UHFFFAOYSA-N 320.261 -0.605 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccnc(OCCO)c1 1327590104 GTLHOWGEZWVYBF-UHFFFAOYSA-N 324.337 -0.415 50 20 DBGD O=C(NNC(=O)N1CCC[C@H](n2ccnn2)C1)c1cn[nH]c1 1328731731 QGNMPLLCQFVXEH-JTQLQIEISA-N 304.314 -0.307 50 20 DBGD COc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1O 1331834692 SHDJDECXGGZSPD-UHFFFAOYSA-N 302.308 -0.794 50 20 DBGD CC(=O)NNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1336754751 FEQUQGQRXYDWMB-WCQYABFASA-N 323.324 -0.503 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cn([C@@H]2CCCNCC2)nn1 1575379089 WMNZZLBZSJQXDO-SECBINFHSA-N 310.358 -0.875 50 20 DBGD COC(=O)c1ccc(CCC(=O)NNC(=O)[C@@H]2CCN2)cc1 1578863806 INLRWUXWOWDKSS-LBPRGKRZSA-N 305.334 -0.085 50 20 DBGD CCN(CCO)NC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 1590714288 AJIDMRCKSXDJJR-JTQLQIEISA-N 320.353 -0.021 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1coc(-c2nn[nH]n2)c1 1593158392 SBEZRNBXRHSRFA-IWSPIJDZSA-N 318.293 -0.212 50 20 DBGD CCC(CC)(C(=O)O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1603525971 NSXIRTYCHFCKTD-QMMMGPOBSA-N 320.367 -0.541 50 20 DBGD NC(=O)NCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1847105203 MRNCHJOYQQPLTG-MRVPVSSYSA-N 306.725 -0.608 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNC(=O)c1ccccc1 29729997 LSTFLTOEAZYMNQ-UHFFFAOYSA-N 300.340 -0.820 50 20 DBGD COCCCNC(=O)NNC(=O)CCSc1nnnn1C 139536330 DBEPGNPXKQWHGH-UHFFFAOYSA-N 317.375 -0.941 50 20 DBGD Cc1cc(C)n2nc(C)c(C(=O)NNC(=O)CN(C)C)c2n1 172160078 PDFWLWUTJTWMFH-UHFFFAOYSA-N 304.354 -0.023 50 20 DBGD CCS(=O)(=O)NCCCNC(=O)NNc1ccc(C)nn1 264402587 QQWSUEJHYGJVQM-UHFFFAOYSA-N 316.387 -0.259 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1CCSC1=O 265901479 UYNHNRQJHDWREP-UHFFFAOYSA-N 316.383 -0.393 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 270423295 DPOPELLWZKOJJT-UHFFFAOYSA-N 308.294 -0.852 50 20 DBGD CN(NC(=O)CN(C)S(=O)(=O)c1ccccc1)C(N)=O 271399232 VJRGQUVGTRBMRQ-UHFFFAOYSA-N 300.340 -0.651 50 20 DBGD COC(=O)N(C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C 289307922 HEBJNRRCROELKK-UHFFFAOYSA-N 307.314 -0.405 50 20 DBGD O=C(NNc1nnc[nH]1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 294014611 ULVLZMUGDSSXRT-QWRGUYRKSA-N 320.353 -0.311 50 20 DBGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)CS2 370260623 ITODRYOZMDKIHX-TVQRCGJNSA-N 323.378 -0.446 50 20 DBGD CCc1ccc(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)cc1 373200334 GLUUEDMSHBKSBV-LLVKDONJSA-N 305.334 -0.258 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@](C)(O)C1CC1 497245318 SKHHWHPINWIVGV-CYBMUJFWSA-N 301.343 -0.181 50 20 DBGD O=C(N[C@@H](CCO)C1CCOCC1)c1cccc(B(O)O)c1 584974507 IAUZTBYOEMXXOW-AWEZNQCLSA-N 307.155 -0.726 50 20 DBGD CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584989304 BKSBLPOWTMNLOA-ZDUSSCGKSA-N 318.182 -0.255 50 20 DBGD O=C(NCCO[C@@H]1CC1(F)F)c1ccc(B(O)O)c(F)c1 585007401 MAUVYWSFCKROOX-SNVBAGLBSA-N 303.045 -0.341 50 20 DBGD O=C(NCB(O)O)c1cccc(S(=O)(=O)NCC2CC2)c1 585061379 WOISFXCMXHVEGU-UHFFFAOYSA-N 312.156 -0.883 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1ccccc1O 731864990 GRJLTJPGVMPTQB-UHFFFAOYSA-N 306.278 -0.905 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)n[nH]1 737236898 UELPXZRIXROETL-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD NC(=O)COc1ccc(C=NNC(=O)CN2CCCC2=O)cc1 745986750 PXCDKNAVHKHAJW-UHFFFAOYSA-N 318.333 -0.377 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1C[C@H](C)N(C2CC2)C1 753959957 NEYLUUMVJKBRBK-IUCAKERBSA-N 302.400 -0.347 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ncccc1F 804216333 HXQLDWBEWRRQIA-LLVKDONJSA-N 323.328 -0.209 50 20 DBGD CC(C)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 813421734 WYFJHNUZVHUILE-SECBINFHSA-N 303.384 -0.060 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccccn1 816808249 HYXWBUPYIHWIAZ-MRVPVSSYSA-N 300.340 -0.830 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NC[C@@H](C)O)cc(-c2nn[nH]n2)n1C 826235136 CMSHXLSXYLZGSP-ORMNHXAVSA-N 315.337 -0.082 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc2c1nnn2C 843652566 BIYKCMNPJKHKHI-YUMQZZPRSA-N 304.310 -0.451 50 20 DBGD COc1cc(F)ccc1NNC(=O)[C@@H]1CCS(=O)(=O)N1 846640481 RJOLPRZUHGQVFU-VIFPVBQESA-N 303.315 -0.031 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H]2CCCS2(=O)=O)n1 847541744 IWFITEUEDWQKQB-MRVPVSSYSA-N 300.340 -0.186 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)[C@@H]1CCCCO1 852655451 HBSKRXHSWRWVQQ-VIFPVBQESA-N 302.331 -0.416 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=S)NCC2CCC2)CC1 855089738 DRWGWFQKKPSVIO-UHFFFAOYSA-N 305.425 -0.141 50 20 DBGD C[C@H](C(=O)NNc1cnnn1C)N1C(=O)NC2(CCCC2)C1=O 857271686 VNTDBOPWKXPPLI-MRVPVSSYSA-N 321.341 -0.489 50 20 DBGD CCOc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862450094 WRIDEZAIMQNKKJ-LBPRGKRZSA-N 321.333 -0.110 50 20 DBGD COc1cccc2c1NC(=O)C2=NNC(=O)CS(C)(=O)=O 863183450 BDJUJIQJPAJJPC-UHFFFAOYSA-N 311.319 -0.488 50 20 DBGD CSCc1cccnc1C(=O)NNC(=O)CS(C)(=O)=O 863466409 RRCHRLTXYHSULT-UHFFFAOYSA-N 317.392 -0.250 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1ccccc1C 872382761 DRZXNAWREWXMST-UHFFFAOYSA-N 302.352 -0.032 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 899993306 WPXVCCUGBGDEGT-QMMMGPOBSA-N 322.456 -0.296 50 20 DBGD C[C@@H](NC(=S)NNC(=O)C1CN(S(C)(=O)=O)C1)C1CC1 912162519 XEXYHQZEEKCXQT-SSDOTTSWSA-N 320.440 -0.828 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(F)nc1 1326832131 FMRDOABTHPZBBR-IONNQARKSA-N 310.285 -0.268 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NNc2cnnn2C)c1 1328637293 RMTXWIUGXKCQEL-UHFFFAOYSA-N 318.337 -0.374 50 20 DBGD Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1334930959 QGVKSUNIWXQVSA-VHSXEESVSA-N 320.353 -0.771 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1)c1n[nH]c2c1CCCC2 1343378970 YUTQVZJMDSKBNT-UWVGGRQHSA-N 322.321 -0.318 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1345724567 ZPHXIYIINJNVOF-VHSXEESVSA-N 300.359 -0.486 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC2CC3(CC(N)C3)C2)ccc1=O 1579953292 RIRPAZGGZJMBPV-UHFFFAOYSA-N 319.365 -0.401 50 20 DBGD CCOC(=O)NCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1590767275 KWNAOWNVUPWPJF-UHFFFAOYSA-N 306.286 -0.549 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)O1 1592732474 COZRRZOULDDRJE-VHSXEESVSA-N 317.309 -0.657 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cc(C(=O)O)n(C)n1 1594645450 RUWGXHQHNGTEOQ-RQJHMYQMSA-N 311.298 -0.304 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)c1cn(CC(=O)O)nn1 1602871037 QGQNPBNQXHWTKZ-UHFFFAOYSA-N 300.344 -0.730 50 20 DBGD CC(C)[C@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1603388009 KVZIOJZYTPCCLE-JTQLQIEISA-N 304.310 -0.355 50 20 DBGD O=C(N[C@H](CC1CCOCC1)C(=O)O)c1ccc(B(O)O)cc1 1608393696 ADIMEGDGQROICO-CYBMUJFWSA-N 321.138 -0.634 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C2(C(=O)O)CC3(CCC3)C2)N1 1609035200 BMDOQPQXXVZEJD-MRVPVSSYSA-N 309.322 -0.553 50 20 DBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1nc[nH]c2ncnc1-2 1776104834 AMONAENGCPQXED-UHFFFAOYSA-N 314.265 -0.500 50 20 DBGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792902074 RGISYCCFCPLFGI-UTINFBMNSA-N 320.773 -0.811 50 20 DBGD CCNC(=O)NNC(=O)CNS(=O)(=O)c1cccs1 49164974 PAUAARAWKYULEP-UHFFFAOYSA-N 306.369 -0.623 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1 174434053 DXKDYGWAUURGBT-ZDUSSCGKSA-N 306.366 -0.156 50 20 DBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)c2ccccc2)C1 264717499 KMHVKILBNOBAFS-ZDUSSCGKSA-N 305.382 -0.124 50 20 DBGD CSCCNC(=S)NNC(=O)Cn1ccc([N+](=O)[O-])n1 271461011 SPQCHTLORWITOB-UHFFFAOYSA-N 318.384 -0.350 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccn1 272432668 LOBAQPLUXFNQRN-KCJUWKMLSA-N 306.322 -0.882 50 20 DBGD COc1ccc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)nc1 275483413 GBAJMGQYERBPHJ-UFBFGSQYSA-N 308.338 -0.191 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)NCC2CC2)cc1 276347741 VMXGFYWIZLBNKF-UHFFFAOYSA-N 316.317 -0.389 50 20 DBGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)cc1 376878481 UQULZVLUGKUBFB-VIFPVBQESA-N 307.306 -0.812 50 20 DBGD Cn1nncc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 491098821 SJLKHAYOAIIUGR-UHFFFAOYSA-N 312.330 -0.509 50 20 DBGD C[C@H]1CN(CCCNC(=O)c2cccc(B(O)O)c2)C[C@@H](C)O1 584928890 OIYJXMVWTGVTRT-BETUJISGSA-N 320.198 -0.405 50 20 DBGD Cc1ncc2c(n1)CCN(C(=O)c1ccc(B(O)O)c(F)c1)C2 584929881 RCGKRULVECVWIC-UHFFFAOYSA-N 315.113 -0.198 50 20 DBGD CC(=O)NCC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584934952 YBHBHVVCPARNCQ-UHFFFAOYSA-N 322.145 -0.506 50 20 DBGD C=CCC(=O)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584984548 ASUUHMGVBVVRIK-UHFFFAOYSA-N 320.129 -0.634 50 20 DBGD CC(=O)NCC[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584989797 JRQQTCRKYLRMQO-CYBMUJFWSA-N 318.182 -0.255 50 20 DBGD OB(O)c1ccc(CNC2CCN([C@@H]3CCCC[C@H]3O)CC2)o1 585031730 XZNMSPGRVLSUQA-HUUCEWRRSA-N 322.214 -0.183 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)N3CCOCC3)nc2n1 745991703 FGQKWNRZFMWQSG-UHFFFAOYSA-N 319.325 -0.572 50 20 DBGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)c1ccccc1F 746013994 VNMGPZYVRZNDQP-UHFFFAOYSA-N 307.241 -0.316 50 20 DBGD CCOCCNC(=S)NNC(=O)CNC(=O)c1ccco1 751028183 PJBVLFKRBJANNI-UHFFFAOYSA-N 314.367 -0.459 50 20 DBGD Cc1oc(C(=O)NNC(=O)c2ccccn2)cc1S(N)(=O)=O 755623197 OJWWPHPFJIQLLR-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc21 758040463 QNWDKNNDZQQEHR-GZMMTYOYSA-N 311.363 -0.589 50 20 DBGD CC#CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 762529008 QWHUILVBJYSBIV-UHFFFAOYSA-N 323.378 -0.053 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)c1n[nH]c(O)n1 765402977 LMRIXKOKWIHFLJ-UHFFFAOYSA-N 309.307 -0.231 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1nc2ccccc2[nH]1 768502680 AGGBUTROJXSXSK-UHFFFAOYSA-N 302.294 -0.052 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@H]2CO)c1 769903030 IFZQISNBRRIIMY-CYBMUJFWSA-N 307.350 -0.551 50 20 DBGD CSCCNC(=S)NNC(=O)c1c([N+](=O)[O-])cnn1C 770246942 KRQRNKXLBOYSIR-UHFFFAOYSA-N 318.384 -0.200 50 20 DBGD COC(=O)COc1ccc(C=NNC(=O)CO)cc1[N+](=O)[O-] 788724696 DYDURHJHYZBFDC-UHFFFAOYSA-N 311.250 -0.411 50 20 DBGD CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(O)nn1 790149636 MSJAJRBKINJYGH-JTQLQIEISA-N 307.354 -0.009 50 20 DBGD NC(=O)[C@@H]1CC(C(=O)NNc2nc[nH]n2)=NN1c1ccccc1 816634627 OFYYYDMLYHCBRS-JTQLQIEISA-N 314.309 -0.632 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)C[C@@H]1COCCN1 843437073 NEWADXBYMYOCOA-SNVBAGLBSA-N 313.379 -0.088 50 20 DBGD O=C(CCNC(=O)[C@@H]1CCCN1)NNC(=O)c1ccccc1 844204449 NSPFZUWTJKZCTK-LBPRGKRZSA-N 304.350 -0.294 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN2C=O)cc1 854192637 GBTOLRYJYKYHEJ-ZDUSSCGKSA-N 316.317 -0.295 50 20 DBGD O=C(NNC(=O)c1cnc(C2OCCO2)s1)c1cc[nH]n1 855355742 GMVCHFIBQZEPFY-UHFFFAOYSA-N 309.307 -0.014 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)nc1C 858533779 XJYVHUGIIWSHHU-NSHDSACASA-N 305.338 -0.193 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@H](C3CCOCC3)C2)N1 858697651 UJUUNVLZRFMPIQ-RYUDHWBXSA-N 324.381 -0.246 50 20 DBGD Cc1ccccc1NCCC(=O)NNC(=O)CS(C)(=O)=O 863458587 AUWLBMRHQFSHRO-UHFFFAOYSA-N 313.379 -0.011 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)NC(C)=O 863998607 ITNWFWFXBGOHBV-VIFPVBQESA-N 309.322 -0.254 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCN2CCCC[C@H]12 916638501 HEOUGRPIIBQWMC-GHMZBOCLSA-N 309.370 -0.778 50 20 DBGD COCCn1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)nn1 1261746535 MHGKXDHGNFOTIL-QMMMGPOBSA-N 312.399 -0.168 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 1318878058 VZOUPNDNCMGYBL-VHSXEESVSA-N 300.359 -0.390 50 20 DBGD C=C[C@H](COC)NC(=O)NNc1nc(O)c2cnn(C)c2n1 1321256204 FZVCERILZMQESW-SSDOTTSWSA-N 307.314 -0.104 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 1325873432 FUKXWQSWKUVLOQ-QMMMGPOBSA-N 309.326 -0.414 50 20 DBGD CN(C)N(C(=O)/C=C/c1cn(C)cn1)[C@@H]1CCS(=O)(=O)C1 1333970883 ZYSRXVZVHVCKHI-ZYOFXKKJSA-N 312.395 -0.074 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C1CC1)N[C@H]1CCS(=O)(=O)C1 1340020814 MYOWLWLFLPIMFH-IVZWLZJFSA-N 301.368 -0.450 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1340988342 YIAMBKQPAUNJLZ-VIFPVBQESA-N 317.371 -0.255 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2nccnc2C(N)=O)n1 1344407593 NEIHHJKTJKBDGZ-UHFFFAOYSA-N 300.278 -0.646 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(CO)on1 1347422932 SIISYUBSRAZVGH-MRVPVSSYSA-N 316.339 -0.623 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1O 1350536425 SWFWSYFIZREPGO-UHFFFAOYSA-N 304.310 -0.198 50 20 DBGD N[C@@H]1CCCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1580367907 BZJIUMROUZNFHF-OUAUKWLOSA-N 317.411 -0.524 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1590366074 VMNZRJQBWHFSFR-UHFFFAOYSA-N 303.282 -0.637 50 20 DBGD O=C(O)CN1CCCC[C@H](NC(=O)NNc2cccnn2)C1=O 1595092796 CFLHRENKUGZFLQ-VIFPVBQESA-N 322.325 -0.432 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NC[C@H](F)C(=O)O 1601371890 DDXQOMDAHBXPEV-VIFPVBQESA-N 323.284 -0.370 50 20 DBGD O=C(O)[C@H](C(=O)NNC(=O)[C@H]1COCCO1)C1CCCC1 1605814743 QXUROPKMDBPWKA-ZJUUUORDSA-N 300.311 -0.560 50 20 DBGD O=C(O)CC[C@H]1C[C@@H](C(=O)NNC(=O)C2CCOCC2)CO1 1606111763 NQDMTINGCBDDGV-MNOVXSKESA-N 314.338 -0.170 50 20 DBGD C=CCNC(=O)CNC(=O)NNC(=O)c1cccc(N(C)C)c1 272020071 RUIMTGPNNMPDEG-UHFFFAOYSA-N 319.365 -0.001 50 20 DBGD CCOCc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 274090207 TZLDXXXKTFUJIG-UHFFFAOYSA-N 322.365 -0.129 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)OC(C)=O 275725577 SDABDXMXDGMYFQ-UHFFFAOYSA-N 301.343 -0.220 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccnc3c2nnn3C)O1 294137555 GTMMOJPUVDEILS-CBAPKCEASA-N 304.310 -0.308 50 20 DBGD CN1CCN(CCCCNC(=O)c2ccc(B(O)O)cc2)CC1 584930296 ZJEOFKCLCGUZDV-UHFFFAOYSA-N 319.214 -0.876 50 20 DBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@H](C)CS(C)(=O)=O 584946440 ZZRNKCDKLNTBBL-SNVBAGLBSA-N 313.184 -0.738 50 20 DBGD CC(C)(C)CC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(N)=O 584982836 QXFGSVHNSHSJTE-LBPRGKRZSA-N 306.171 -0.224 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCO[C@H]1C 584983266 VJDPXCPFZYZHNZ-SMDDNHRTSA-N 307.155 -0.368 50 20 DBGD O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1cccc(B(O)O)c1 584987834 VKDKMZXQBJSWMN-STQMWFEESA-N 302.139 -0.750 50 20 DBGD O=C1C[C@@H](NCc2ccccc2B(O)O)CN1CC(F)(F)F 585025077 LFCOXDDULGJYKN-SNVBAGLBSA-N 316.088 -0.381 50 20 DBGD OB(O)c1ccc(CNC2CCN(c3cccnn3)CC2)o1 585038104 SCSGLDWZVNAKNF-UHFFFAOYSA-N 302.143 -0.492 50 20 DBGD O=C(NCB(O)O)c1cccc([N+](=O)[O-])c1N1CCOCC1 585063368 XNEYHPGTZHJPDD-UHFFFAOYSA-N 309.087 -0.827 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1CCCOC1 725871510 MENYGKNMSMPDTG-SNVBAGLBSA-N 324.337 -0.234 50 20 DBGD CC(=O)NC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccccc1 726837628 RKXNHZZUZRYMRD-UHFFFAOYSA-N 321.333 -0.095 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccccc2C#N)cn1 735460087 NHNTWTZRXGBTSM-UHFFFAOYSA-N 305.319 -0.085 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(=O)N(C)C 744384448 CHAHKLCKAUQVTB-UHFFFAOYSA-N 317.349 -0.661 50 20 DBGD CCN(C)S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 746055443 LLUMICBORWQFNR-UHFFFAOYSA-N 320.396 -0.705 50 20 DBGD O=C(NN=Cc1ccc(C(=O)O)[nH]1)N[C@@H]1CCS(=O)(=O)C1 749815686 OZOOXTDMXKZSMZ-MRVPVSSYSA-N 314.323 -0.467 50 20 DBGD C#CCOCCC(=O)NNc1nccc(N2CCOCC2)n1 756787519 PCYBTYOYYNEFOC-UHFFFAOYSA-N 305.338 -0.204 50 20 DBGD CS(=O)(=O)Cc1ccc(NC(=O)NNC(=O)CO)cc1F 757675764 NYPDUZKJXASDLK-UHFFFAOYSA-N 319.314 -0.485 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1Cl 758057541 VSIKFBLYHCTRJD-LURJTMIESA-N 320.758 -0.566 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)COCc2ccccc2)CCN1 760617811 UZCOQRIQWDBTHS-GFCCVEGCSA-N 305.334 -0.123 50 20 DBGD Cn1ccnc(NNC(=O)C(C)(C)NC(=O)C(F)(F)F)c1=O 760839161 VIDNXWFEKPADME-UHFFFAOYSA-N 321.259 -0.320 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(C)C1=O 772512159 ZHWREGNYNPBVJC-NXEZZACHSA-N 313.354 -0.410 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)NC(CC)(CC)C1=O 780706805 UGNRVTLHKNMWDB-UHFFFAOYSA-N 313.358 -0.211 50 20 DBGD Cn1nnc2c(C(=O)NNC(=O)N3CCOCC3)ccnc21 801143670 OYOAWEKVYKUZRZ-UHFFFAOYSA-N 305.298 -0.950 50 20 DBGD CN(C)C(=O)CNC(=O)NNc1ccc(-n2ccnc2)nn1 804871657 QCMNDGRORSBHKG-UHFFFAOYSA-N 304.314 -0.623 50 20 DBGD CC(=NNC(=O)NCC(F)(F)F)c1cn(CC(=O)O)nn1 825798360 IAGFMHXILQKFMY-UHFFFAOYSA-N 308.220 -0.052 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O 826131245 ODEVUBWZHZQMAP-DTWKUNHWSA-N 321.399 -0.435 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)COCc1ccccc1 828320147 XMKJYFXZDZGREB-ZDUSSCGKSA-N 305.334 -0.029 50 20 DBGD CO[C@@H]1CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C12CCC2 834954533 YWCQISBILGVTGY-WCBMZHEXSA-N 303.384 -0.015 50 20 DBGD CON1CCC(=NNC(=O)CNC(=O)c2cccnc2)CC1 834962460 SFIRQAQHRBRCDN-UHFFFAOYSA-N 305.338 -0.059 50 20 DBGD C[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccc(C#N)cc1 839533839 YWZVAKONJQIKNO-ZWNOBZJWSA-N 302.334 -0.226 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)CC(F)(F)F 855001294 YBLFPMYRJMGYGK-UHFFFAOYSA-N 319.305 -0.194 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc(C3CC3)nc2N)nn1 855185310 NSHMNOYWDAJFOM-UHFFFAOYSA-N 302.298 -0.861 50 20 DBGD COCC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 858524744 JEWQHJZWKOJYAD-JTQLQIEISA-N 312.370 -0.198 50 20 DBGD CCOC(=O)c1cc(C=NNC(=O)CS(C)(=O)=O)[nH]c1C 863186871 OWJLUYPTEPPZRM-UHFFFAOYSA-N 315.351 -0.005 50 20 DBGD COC(=O)c1cc(NNC(=O)CN2CCNC(=O)C2)ccc1F 909278111 SDYMPLSFFACZQO-UHFFFAOYSA-N 324.312 -0.513 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1OCCN(C)C1=O)C1CC1 912162873 ZKMXBMKQCOBYOD-APPZFPTMSA-N 300.384 -0.863 50 20 DBGD O=C(/C=C/c1ccco1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886284 SIXAUZIHHRWDGB-CDAZIORVSA-N 313.335 -0.190 50 20 DBGD Cn1nncc1CNC(=O)NNc1ccc(-n2ccnc2)nn1 1117495650 GYGCHHWOAQEGFY-UHFFFAOYSA-N 314.313 -0.383 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1nc(C2CC2)nn1C 1261500975 LQRCWJNGTCNPLK-UHFFFAOYSA-N 303.326 -0.272 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 1318042980 KFZSLBHOVLCDRQ-UHFFFAOYSA-N 304.303 -0.611 50 20 DBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 1318220890 KAJUAVSFBARHBD-LLVKDONJSA-N 310.354 -0.985 50 20 DBGD Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NNC(=O)CCO 1320846113 HTDIWUHRKKVNHE-UHFFFAOYSA-N 304.306 -0.055 50 20 DBGD O=C(NN=Cc1cnc(N2CCOCC2)s1)C(=O)NC1CC1 1324433981 SOSVSWUSMUBCNB-UHFFFAOYSA-N 323.378 -0.292 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nnc2n1CCCC2 1325999882 RJGAZVSNORJZGJ-ZJUUUORDSA-N 322.369 -0.130 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)c1cnn(C[C@@H](O)CO)c1 1327745371 NOCORSRJNPQJKD-SECBINFHSA-N 300.315 -0.594 50 20 DBGD Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)C(=O)NC1CC1 1328120270 BIELIDJPRAOGGR-UHFFFAOYSA-N 320.353 -0.594 50 20 DBGD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](B(O)O)C2)c1 1330262771 STZKVLZAIHVSOH-QMMMGPOBSA-N 315.131 -0.082 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCOCC(F)(F)F 1331735818 CLRMFDITSIKGHN-UHFFFAOYSA-N 306.262 -0.853 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)CCc3cn[nH]c3)nc21 1331796294 NOSKNVZUWTWGMR-UHFFFAOYSA-N 302.298 -0.132 50 20 DBGD CO[C@@]1(C(=O)NNC(=S)NC(C)C)CCS(=O)(=O)C1 1333084476 CJGJHYSCLKEOPA-JTQLQIEISA-N 309.413 -0.906 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2cnc(C(=O)O)cn2)n[nH]1 1574326104 KJMCMQHPIZMBOU-UHFFFAOYSA-N 304.266 -0.790 50 20 DBGD CC[C@](COC)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1595189483 NWYOUBDABVSBSA-CYBMUJFWSA-N 313.090 -0.885 50 20 DBGD O=C(O)CC(=O)NNC(=O)[C@@H]1C(=O)Nc2ccccc2C1=O 1601887854 AWEAKIQVLCYACI-JTQLQIEISA-N 305.246 -0.940 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cccnc1 1605453386 XSKBHUOCWDKJFA-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD Cn1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1O 1606267020 TUBHROTYSKPLOB-UHFFFAOYSA-N 301.270 -0.542 50 20 DBGD O=C1NC[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)O1 1843362137 FKOYCEZQEVTIEC-YUMQZZPRSA-N 319.720 -0.167 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1nccnc1Cl 266462523 QWDWMCZCAVODMX-UHFFFAOYSA-N 307.763 -0.099 50 20 DBGD COC(=O)CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 272787411 SPUUKQWNQBLOQL-UHFFFAOYSA-N 324.293 -0.539 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCCS2(=O)=O)[nH]n1 274853649 WILAOIAFUWJWMR-VIFPVBQESA-N 300.340 -0.554 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NC(N)=O)cc1C 274978780 XBTFNJIVBVKFHD-VIFPVBQESA-N 321.337 -0.554 50 20 DBGD C[C@@H]1C(=O)Nc2cc(C(=O)NNC(=O)C(C)(C)O)ccc2N1C 277997073 QHXSJKMLQHZVNB-MRVPVSSYSA-N 320.349 -0.005 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNc2cccnn2)nn1 284103847 GFPSEHATIWXWBS-UHFFFAOYSA-N 306.286 -0.819 50 20 DBGD C[C@H](O)CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 291167633 GQMWKAZVMCUORW-VIFPVBQESA-N 310.310 -0.332 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)CN(C)C(C)=O 299228896 DAAZRJUVYINOKA-UHFFFAOYSA-N 309.322 -0.300 50 20 DBGD CN(Cc1ccnc(N(C)C)n1)C(=O)c1ccc(B(O)O)cc1 584970577 QJNHJMBTVSEWII-UHFFFAOYSA-N 314.154 -0.505 50 20 DBGD O=S(=O)(c1cnn(CC(F)F)c1)N1CC[C@H](B(O)O)C1 585058894 SRKXIPRXYOSYCP-ZETCQYMHSA-N 309.103 -0.614 50 20 DBGD CSC[C@@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 731343114 KASFTQLDVXEQTI-HTQZYQBOSA-N 309.413 -0.497 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(NS(C)(=O)=O)cc1 746006015 JLXVCKRROWORBJ-UHFFFAOYSA-N 300.340 -0.026 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CCCN1c1ncccn1 747371546 RBLLHUNOLPYJBR-LLVKDONJSA-N 320.353 -0.482 50 20 DBGD CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1 749821535 BXNBKHLITQMFJP-QMMMGPOBSA-N 306.388 -0.603 50 20 DBGD CN(C)CC(=O)NNC(=O)COCCNC(=O)c1ccccc1 753434898 NZQDTRIZJLALGO-UHFFFAOYSA-N 322.365 -0.858 50 20 DBGD CC1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2O1 764430270 URXCEIBJCPFZBK-UHFFFAOYSA-N 309.278 -0.728 50 20 DBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2ccccn2)cn1C 777467709 HXXAYXDWKJKMAY-UHFFFAOYSA-N 324.366 -0.455 50 20 DBGD CC(C)n1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 787995063 FDCRNKWEWIGSIW-MRVPVSSYSA-N 317.371 -0.837 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)c2cnn(C)c2)nn1 799231293 KRFFGRATPHNQCU-UHFFFAOYSA-N 319.281 -0.537 50 20 DBGD Cn1cnn(CC(=O)NNc2ccc3c(=O)[nH]ccc3c2)c1=O 803434195 YBBKBXWCJKYXGA-UHFFFAOYSA-N 314.305 -0.433 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)on1 814762635 FXHOLPBEEPASEZ-JTQLQIEISA-N 324.337 -0.120 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)on1 814762636 FXHOLPBEEPASEZ-SNVBAGLBSA-N 324.337 -0.120 50 20 DBGD CCN(CCO)NC(=O)Cc1cccc(OCC(=O)NC)c1 823869464 KDDIWFJODYQAGQ-UHFFFAOYSA-N 309.366 -0.301 50 20 DBGD CO[C@@H]1COCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 826903784 WEBJPNZANKHXLH-IRCOFANPSA-N 315.370 -0.207 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1ncn(C)c1Cl 842591882 GYXJAJUWZSAVCV-RNFRBKRXSA-N 322.774 -0.192 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-n2cnnn2)c1 843650124 YVCHOLSGDHRVIG-SKDRFNHKSA-N 316.321 -0.152 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCC[C@@]1(O)CCCOC1 845715579 KAUBJCUDWISAKL-HNNXBMFYSA-N 322.365 -0.114 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(n2cnnc2O)CC1 846881120 AWPGUSMPIKPAPN-VIFPVBQESA-N 310.358 -0.434 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccn(CCN(C)C)n1 847462025 QKMBLYIAGDYYNN-UHFFFAOYSA-N 305.342 -0.449 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H](C)n1cncn1 854280261 SDQMMCUDNZCQQE-VIFPVBQESA-N 300.388 -0.287 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1F 862452413 KOXZOTSFLZGHCD-JTQLQIEISA-N 308.313 -0.069 50 20 DBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(-n2cnnn2)cc1 863144906 HBXDJCVUIKYDHO-LBPRGKRZSA-N 313.321 -0.219 50 20 DBGD Cn1c2c(ccc1=O)C(=NNC(=O)[C@@H]1CCC(=O)N1)CCC2 863150400 TYNYAIWSCZJOHP-NSHDSACASA-N 302.334 -0.180 50 20 DBGD Cc1ccnn1CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 863853712 CPWJYBQIIUXVRI-BETUJISGSA-N 323.397 -0.162 50 20 DBGD COC(=O)C1(NC(=O)c2cc(B(O)O)ccc2F)CCCC1 863871192 CUBHLRHKNZQDLU-UHFFFAOYSA-N 309.102 -0.279 50 20 DBGD COC(=O)[C@H](COC(C)C)N(C)C(=O)c1ccc(B(O)O)cc1 863875588 BOTXCGLFJMFZEP-ZDUSSCGKSA-N 323.154 -0.595 50 20 DBGD CCCN1C[C@H](C(=O)NNC(=O)COCCOC)CC1=O 869905799 RAPFBRLATAVOTH-SNVBAGLBSA-N 301.343 -0.945 50 20 DBGD Cn1nccc1[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 887584930 RRQLCBGITHAUQW-AWEZNQCLSA-N 315.138 -0.686 50 20 DBGD O=C1CN(CC(=O)NNc2ccc(C(F)(F)F)nn2)CCN1 901200650 IERQDMRBYNKVHI-UHFFFAOYSA-N 318.259 -0.630 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCO[C@H](c2ccnn2C)C1 933541260 OCTDACRDENQDQW-LBPRGKRZSA-N 309.370 -0.403 50 20 DBGD Cc1nn(CCCl)c(C)c1C(=O)NCCS(N)(=O)=O 1116250459 KUTUAUDVIRJCRZ-UHFFFAOYSA-N 308.791 -0.243 50 20 DBGD Cn1nncc1NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 1118827579 NUJYPPKISQGGIB-UHFFFAOYSA-N 324.366 -0.462 50 20 DBGD NC(=O)Nc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 1318220587 BVBZDQQNHJBFSJ-UHFFFAOYSA-N 319.321 -0.439 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)c(O)n1 1320233120 QMAOXLADFNXAQG-UHFFFAOYSA-N 315.289 -0.110 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)CC(F)(F)F 1328415643 CJVMIAVGPBYTIR-UHFFFAOYSA-N 319.305 -0.065 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCCS(=O)(=O)C1 1329251341 AADYFUOOSYEJAQ-AEJSXWLSSA-N 319.383 -0.681 50 20 DBGD C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 1330437427 ULVULBYZUCIKJE-GMSGAONNSA-N 305.338 -0.498 50 20 DBGD Cc1ccc(NNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 1338631157 LAAVWIHYUQCOHK-UHFFFAOYSA-N 316.321 -0.241 50 20 DBGD COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)N(C)C)c1 1342877948 OKEURJUKBMHMER-UHFFFAOYSA-N 310.310 -0.055 50 20 DBGD CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)s1 1348490066 LUYNVGYVRCTXLH-SSDOTTSWSA-N 319.173 -0.661 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1cccc(Cl)n1 1521737996 UUOSBEXTGMSUHC-GXSJLCMTSA-N 323.784 -0.116 50 20 DBGD CN(NC(=O)c1cccn2nccc12)C(=O)N1CCNCC1 1578506603 UNVPTMKFXUZJEK-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CNCCN2C)c1 1579169043 JNKWVZRNPIGNEB-ZDUSSCGKSA-N 322.365 -0.632 50 20 DBGD CC[C@@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590384420 NICZTVZGRMZLBG-CYBMUJFWSA-N 304.310 -0.211 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1594646754 ZXQDDAHKVFXXST-VPOLOUISSA-N 314.338 -0.029 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1c(C(=O)O)cnn1C 1594867452 QHNVMNKMMBKFAK-LURJTMIESA-N 311.298 -0.750 50 20 DBGD O=C(N[C@H](C[C@H]1CCCO1)C(=O)O)c1cccc(B(O)O)c1 1601408155 BQTGXZAUDHLZDY-VXGBXAGGSA-N 307.111 -0.882 50 20 DBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNC(=O)c1cn[nH]c1 1605552678 RQGANQPJGHSGOL-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CCO/C=C(/C#N)C(=O)N(CCN1CCN(C)CC1)CC(=O)O 1610035491 NFAJMPQQWWXABM-SEYXRHQNSA-N 324.381 -0.409 50 20 DBGD Cc1nc(Cl)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1610556612 QGRYVHGCEXKEJC-UHFFFAOYSA-N 300.658 -0.786 50 20 DBGD CC(C)C(=O)NNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 27081479 VHLKOBNUHWMPBV-UHFFFAOYSA-N 318.333 -0.117 50 20 DBGD CCN(CC)CC(=O)NNC(=O)CNC(=O)c1cccs1 263652804 BINMMHMIMAUYFY-UHFFFAOYSA-N 312.395 -0.033 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)CNc1ccc(C)cc1 263980853 BETOJMMDELYBKI-UHFFFAOYSA-N 313.379 -0.011 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNc1ncccc1F 291056221 WAGGURRDUZBYHI-UHFFFAOYSA-N 305.335 -0.262 50 20 DBGD O=C(CN1CCO[C@H](C(=O)O)C1)NNC(=O)c1ccccc1 314581401 AITATHUBMRXZKJ-NSHDSACASA-N 307.306 -0.767 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 496298736 AAFSTZQREDMJSR-SFYZADRCSA-N 314.342 -0.830 50 20 DBGD C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cccc(B(O)O)c1 584949713 UGQXRHZCDZPPCR-UWVGGRQHSA-N 311.168 -0.986 50 20 DBGD C[C@@H]1C[C@H](NC(=O)c2cc(B(O)O)ccc2F)CN1C1CC1 584958066 OVLSNQJAEDEWQP-KOLCDFICSA-N 306.146 -0.140 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](N2CCOCC2)C1 584996112 XUDIADMNTWHRRP-HNNXBMFYSA-N 318.182 -0.697 50 20 DBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)Cc1cccnc1 729613452 CLTZHJCHAWDPOP-GFCCVEGCSA-N 321.381 -0.325 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(C(=O)NC2CC2)CCC1 732083970 BRORFLXNVDNSER-UHFFFAOYSA-N 305.338 -0.072 50 20 DBGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)C(=O)N1CCCC1 735468190 JLOWGADGXUUFKZ-SNVBAGLBSA-N 306.322 -0.381 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ncccn2)C[C@@H](C)O1 743290718 JSSGFYASDXZXQV-PHIMTYICSA-N 307.354 -0.263 50 20 DBGD O=C(CO)NNC(=O)c1n[nH]c(C2CC2)c1Br 753438813 JFKQRFSTUJPYLQ-UHFFFAOYSA-N 303.116 -0.197 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNC(=O)c1ccoc1 780043691 KSOPUCQJDVSIBL-UHFFFAOYSA-N 306.282 -0.623 50 20 DBGD CC(C)n1nccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 794507363 BDUOLCFMOZYFJT-SECBINFHSA-N 301.372 -0.148 50 20 DBGD CNC(=O)C1CCN(CC(=O)NNC(=O)c2cccs2)CC1 800745409 UBUNFZOJPWVKLJ-UHFFFAOYSA-N 324.406 -0.033 50 20 DBGD CNC(=O)NNC(=O)c1c(I)cnn1C 814620448 RPMCGTYKYLNWLX-UHFFFAOYSA-N 323.094 -0.402 50 20 DBGD CN(CCC(=O)O)CC(=O)NNC(=O)c1cccc(C#N)c1 818462938 CPGQYLKMDWIQAO-UHFFFAOYSA-N 304.306 -0.274 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NN(CC)CCO 823852983 WCOLBMRMQCNNRD-LBPRGKRZSA-N 321.443 -0.074 50 20 DBGD O=C(CN1CCCNC1=O)NNc1ccc(-c2nn[nH]n2)cc1 826410469 OJHSEXQNJFFMJN-UHFFFAOYSA-N 316.325 -0.275 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCC(F)(F)CN)n1 841971412 QEIXTCHTZLXQIK-UHFFFAOYSA-N 304.301 -0.576 50 20 DBGD C[C@H](CN)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 843350284 LHIPCVCQPFTKML-SECBINFHSA-N 309.326 -0.365 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)cc1F 844582112 DQSZHCNEGBUXEW-SSDOTTSWSA-N 303.315 -0.081 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cc2ccccc2CO)CC1 854379040 MJJWFDQKEWYNDA-UHFFFAOYSA-N 306.366 -0.290 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)NOCCN2CCCC2=O)cn1 856043870 MJDSSKMOJAMRTM-GHXNOFRVSA-N 303.322 -0.003 50 20 DBGD Cc1cccc([C@H](O)CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858697488 SWPLJWWIURLMCP-VXGBXAGGSA-N 320.349 -0.363 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 860443900 KVXBIXWFQIVESK-SNVBAGLBSA-N 320.305 -0.096 50 20 DBGD C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450500 VDYRFNTUZMWUTR-MWODSPESSA-N 319.317 -0.359 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)N1 862463852 NPHBCOOPBIGKCL-MEBBXXQBSA-N 322.365 -0.891 50 20 DBGD O=C(CNC(=O)OCC(F)(F)F)NNC(=O)c1cn[nH]c1 862472250 WKDBBRCPVMWYFZ-UHFFFAOYSA-N 309.204 -0.541 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)cc1O 882049932 JENFDKKAYLFYNC-CYBMUJFWSA-N 318.377 -0.148 50 20 DBGD C[C@@H](O)CN(C)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 910146944 HOEAPARICBHDKZ-CYBMUJFWSA-N 320.393 -0.321 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 910152164 JGMWGEXLFJGUIQ-BZNIZROVSA-N 321.377 -0.263 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1117763253 CNXROCDVVJAKBR-GHMZBOCLSA-N 323.374 -0.307 50 20 DBGD CC(C)O[C@]1(CS(=O)(=O)NNC(=O)N(C)C)CCOC1 1119072645 LPYJCQNAABJRTM-LLVKDONJSA-N 309.388 -0.324 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](CO)[C@H](CO)C2)c1 1196450981 VEFPOMGUYBYURA-KBPBESRZSA-N 321.377 -0.711 50 20 DBGD Cc1cnn(CC(=O)NNc2nc(O)c3cnn(C)c3n2)c1 1253272109 CPKMXXSICGWOMP-UHFFFAOYSA-N 302.298 -0.283 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H](O)c2cnn(C)c2)n1 1256332592 ULGCUBXMTNLEFV-GFCCVEGCSA-N 318.337 -0.199 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CO[C@@H]1CCOC1 1324107737 OSNRADGTSJURCY-GHMZBOCLSA-N 316.354 -0.083 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](n2cc(CO)nn2)C1 1326260444 XBWFKWNSBSCYBG-PWSUYJOCSA-N 324.385 -0.647 50 20 DBGD COc1cc(NC(=O)C(=O)NNc2nccnc2OC)ccn1 1326784880 CISSSZRDUHKCMM-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD CCNC(=O)NNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 1590744466 PQTDWJUPNOCHFQ-QMMMGPOBSA-N 319.325 -0.016 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 1593908927 ORIYPNAEYZFNAM-VIFPVBQESA-N 311.250 -0.332 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1594644774 NPUYODOLNKFKKL-SVRRBLITSA-N 318.307 -0.288 50 20 DBGD O=C(Cc1ccccc1O)NNC(=O)[C@@]1(C(=O)O)CCCO1 1594711091 IEDAWKXRPAOEPT-CQSZACIVSA-N 308.290 -0.284 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NCCn1cc(C(=O)O)nn1 1601243097 MDPPLDOPWUKNQU-UHFFFAOYSA-N 324.219 -0.741 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)cn1 117820464 WDRIXIPGHSANRV-UHFFFAOYSA-N 315.333 -0.460 50 20 DBGD COC[C@@H](C)CNC(=O)NNC(=O)CNC(=O)c1ccco1 264083903 DLUMIZPMMZOSFE-VIFPVBQESA-N 312.326 -0.378 50 20 DBGD CCN1C[C@H](C(=O)NNC(=O)COc2ccccc2O)CC1=O 264426776 AATKHZCDGXVPTJ-SNVBAGLBSA-N 321.333 -0.213 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccnc(OC)n1 282554895 CVJYFOCXROYSMU-QMMMGPOBSA-N 313.314 -0.311 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2COCCO2)cc1 298459868 ZEMCSGNEJVXVEP-GFCCVEGCSA-N 305.290 -0.500 50 20 DBGD O=C(NNc1ncnc2[nH]cnc12)[C@@H]1CN2CCCN1CC2 362074986 BLFVDGVAVUINQA-VIFPVBQESA-N 302.342 -0.814 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 365373449 ZOOASOWKPPOKRU-NSHDSACASA-N 309.297 -0.199 50 20 DBGD CCOC(=O)NNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 494366473 WCTTYBHMJFQNAM-SECBINFHSA-N 307.372 -0.176 50 20 DBGD CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(B(O)O)c1 584941634 DPSIBXNBBKSXNH-OAHLLOKOSA-N 320.198 -0.451 50 20 DBGD CC(C)OC[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCO1 584975458 DMAFSSZHPLVERN-CQSZACIVSA-N 307.155 -0.368 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 584999516 CAHZSOIZEHWEEV-TUAOUCFPSA-N 307.130 -0.262 50 20 DBGD CN(C)C(=O)CN1CCC(NCc2ccc(B(O)O)cc2)CC1 585020405 VWNMHQHFBLSPJU-UHFFFAOYSA-N 319.214 -0.991 50 20 DBGD Cc1ncsc1C(=O)NCCNCc1cccc(B(O)O)c1 585022031 RNKNTJMIZBRBFH-UHFFFAOYSA-N 319.195 -0.349 50 20 DBGD Cc1cc(C(=O)NNC(=O)NC2CC2)ccc1S(N)(=O)=O 730842706 OPDKASBSXFFQLZ-UHFFFAOYSA-N 312.351 -0.251 50 20 DBGD C[C@@H](Sc1nncn1C)C(=O)NNC(=O)N1CCOCC1 745986258 PXKDVGZBNVJEBH-MRVPVSSYSA-N 314.371 -0.631 50 20 DBGD CC[C@@H](C)OCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751696152 BPLABIYUSRLHMB-BDAKNGLRSA-N 307.372 -0.681 50 20 DBGD O=C(NNC(=S)NC[C@H]1CCCCO1)N1CCOCC1 758215172 HBMAQPQAYKDALL-SNVBAGLBSA-N 302.400 -0.024 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CCN(C)C(=O)C1 769770120 QURXJDYQURZCOP-QMMMGPOBSA-N 304.441 -0.287 50 20 DBGD CCS(=O)(=O)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772041359 KHQQXJUSRAETBH-SECBINFHSA-N 322.383 -0.454 50 20 DBGD C[C@@]1(C(N)=O)CCN(CC(=O)NNC(=O)c2cccs2)C1 796580285 JIVQTPFZXBBSRT-CYBMUJFWSA-N 310.379 -0.294 50 20 DBGD CNC(=O)CC[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 796592217 FSQXBPMZRGIEPJ-LBPRGKRZSA-N 310.398 -0.076 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 798305325 NBZQFCRXYRXINU-VIFPVBQESA-N 320.440 -0.518 50 20 DBGD COC[C@@H](C)[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 812535142 WKJCLPKNKDJVSK-MNOVXSKESA-N 322.365 -0.123 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1ncccn1 814926954 QZJJFUHKSSEBPT-AOOOYVTPSA-N 301.306 -0.129 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cnn2c1OCCC2 816596126 PSMPXBFFGWEGAZ-UHFFFAOYSA-N 302.294 -0.051 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 816809426 XNFQMVBYYFMMSP-VHSXEESVSA-N 306.278 -0.133 50 20 DBGD CC(C)C(=O)NCCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825582866 GRUPQMAFPLSCBL-VHSXEESVSA-N 300.359 -0.486 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCOC[C@@H]1CCCO1 826015533 AEBQSJYRXPFCCX-SDDRHHMPSA-N 315.370 -0.063 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)COc1ccccc1O 826773938 MATAPTOWAVTXQR-SNVBAGLBSA-N 307.306 -0.461 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 836317921 JVKCTQFVLNKHJB-RYUDHWBXSA-N 314.386 -0.393 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2NC(=O)O[C@H]2C)nc1C 841412650 CEIGOWHQCAPRPA-IONNQARKSA-N 323.309 -0.098 50 20 DBGD CNC(=S)N(C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 854929243 CIGNCVSOPVQWEI-UHFFFAOYSA-N 324.362 -0.388 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC2(CCC2)O1 858701067 AVCMCSGCHNJNGH-VHSXEESVSA-N 310.354 -0.351 50 20 DBGD CC1(C)[C@]2(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)CC[C@@]1(C)C(=O)O2 862463775 LQRJMPYGHSVLCP-UFTIBIJLSA-N 323.349 -0.466 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 910162944 LTJVBTOZCZLOKR-GWCFXTLKSA-N 319.361 -0.151 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2 913729827 ANNPBZPTTIXGNG-KKFJDGPESA-N 315.757 -0.315 50 20 DBGD CCOCCO[C@H](C)C(=O)NNC(=O)CN1CCCC1=O 920432637 DXDKGZAQSVSOBS-SNVBAGLBSA-N 301.343 -0.802 50 20 DBGD O=C(CCCS(=O)(=O)N1CCCC1)NNC(=O)NC1CC1 920823613 YDBRAQSXIIJHNQ-UHFFFAOYSA-N 318.399 -0.315 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)C1CCCC1 1116621290 XMLOCTPLNQZSOG-UHFFFAOYSA-N 320.349 -0.030 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N1CCS(=O)(=O)CC1 1318335043 PIIIIYJSOATKJC-UHFFFAOYSA-N 312.351 -0.905 50 20 DBGD Cc1nscc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319957353 ZRXZMEOWSVTHCP-SSDOTTSWSA-N 303.365 -0.353 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cc(Cl)ccc1F 1320521110 NASLWJUEIITZTE-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccn(-c2ccncc2)n1 1321203631 DRGSFBFLSYWCFK-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C(C)(C)C)n1 1323301366 ASQCQCVCFUQTPW-UHFFFAOYSA-N 307.354 -0.243 50 20 DBGD CNC(=S)N(C)NC(=O)c1nc(S(C)(=O)=O)ncc1C 1328415898 DZAXLYPRRVJPFX-UHFFFAOYSA-N 317.396 -0.731 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1328756244 GYQIYWJFWUWWPI-SECBINFHSA-N 324.410 -0.323 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNC(=O)OCC(F)(F)F 1329417006 QHZDXDZPDGYTLS-UHFFFAOYSA-N 318.215 -0.014 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)c2ncnn2C)n1 1338872722 NBWLMJFNCJMZDC-JTQLQIEISA-N 320.357 -0.280 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C(=O)CCC2=O)c1 1346328689 FSOCCJIKBBKPDR-UHFFFAOYSA-N 300.274 -0.532 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1ccc(Cl)nn1 265111415 ZQVAPWZHOOKCSE-UHFFFAOYSA-N 313.705 -0.692 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)Cc1ccncc1 267009149 ADNXYNKNYYDPQN-UHFFFAOYSA-N 323.397 -0.077 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2nc3ccccn3c2=O)O1 293892369 KPRDSCGRINRGQX-UWVGGRQHSA-N 319.321 -0.789 50 20 DBGD C=CCNC(=S)NNC(=O)CNC(=O)NCc1ccco1 299142223 PCVHATDYQHUUTR-UHFFFAOYSA-N 311.367 -0.240 50 20 DBGD CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 495552528 FNJJVDPHYNVALD-UHFFFAOYSA-N 316.339 -0.277 50 20 DBGD O=C(NCCN(CC1CC1)C1CC1)c1cccc(B(O)O)c1 584938993 FWSDTCKHDWPCCI-UHFFFAOYSA-N 302.183 -0.029 50 20 DBGD CC(C)n1cnnc1CCNC(=O)c1ccc(B(O)O)cc1 584944552 RNUGNGGGTJJWBF-UHFFFAOYSA-N 302.143 -0.489 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)c1cnccn1 757631600 PLANUMVLZMWJDQ-UHFFFAOYSA-N 302.294 -0.050 50 20 DBGD CCO[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C 758030608 REULSLJREHPXAZ-ZJUUUORDSA-N 323.415 -0.477 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 771858273 KMJNMWKFJBGBSI-JOYOIKCWSA-N 319.317 -0.548 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)CCc2ccccc2)n1 787436522 BMQUDJYXDGOJDE-UHFFFAOYSA-N 303.326 -0.327 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCn1ccnn1 787626327 LEYQYXLVCYKQJM-JTQLQIEISA-N 311.342 -0.207 50 20 DBGD Cc1ccc(N2CCOCC2)cc1NC(=O)NNC(=O)CO 797690766 NXFLKRATYBPYAO-UHFFFAOYSA-N 308.338 -0.023 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cncc(-n2ccnn2)c1 801884850 MNXNWPWCWLGPRY-UHFFFAOYSA-N 312.293 -0.611 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NN(C)[C@@H](C)CO)ccc1F 823947016 RMULHRGTVSELAI-QMMMGPOBSA-N 319.358 -0.309 50 20 DBGD CCc1nncn1CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826109575 ZIFIHODNJQSIFB-ZJUUUORDSA-N 310.358 -0.404 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1C1CCCC1)c1ncccn1 841449554 ZHOVTNGUZJICOF-LBPRGKRZSA-N 319.365 -0.119 50 20 DBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842585550 CDYJUEOMEBREJN-IUCAKERBSA-N 302.356 -0.239 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2ncncc2C1 843775529 ZKACPCPFNGQGEK-JTQLQIEISA-N 307.354 -0.052 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 848100230 LJPCPZZDQIVEBX-QWRGUYRKSA-N 305.334 -0.103 50 20 DBGD COc1ccc(F)c(CNC(=O)NNC(=O)C(=O)NC2CC2)c1 856927575 WTTZUYMUBLIKPZ-UHFFFAOYSA-N 324.312 -0.057 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cn(C3CC3)nn2)n1 858148918 QNFBHLCOSRTPEF-UHFFFAOYSA-N 303.326 -0.112 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(C)n1 858411393 IYXHMKNMEOQLBN-VIFPVBQESA-N 309.326 -0.258 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)N1 858700376 KJAKBEPTCFAIHE-UHFZAUJKSA-N 306.366 -0.016 50 20 DBGD CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(B(O)O)c1 863872900 OSBGHADSYKFLCG-ZDUSSCGKSA-N 305.139 -0.077 50 20 DBGD N#CCN1CCC(CNC(=O)c2cc(B(O)O)ccc2F)CC1 863874094 PDJLZGLKRRFDBT-UHFFFAOYSA-N 319.145 -0.529 50 20 DBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2ccc[nH]2)CC1 916434708 QXMYHJLUKLOTGI-UHFFFAOYSA-N 322.369 -0.877 50 20 DBGD Cc1nn(C)c(C)c1C(=O)NNC(=O)CNC(=O)c1ccco1 1115944960 YNFPPSQTINLDOH-UHFFFAOYSA-N 319.321 -0.179 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)c1ccccc1F 1117702086 LNXTZOBWXHQCAH-UHFFFAOYSA-N 307.285 -0.068 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)C2CCOCC2)C1 1119310350 YTHCHWKWACPKKO-ZDUSSCGKSA-N 308.382 -0.159 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1cncn1C 1256339390 KZCBLBOCFZQFEX-UHFFFAOYSA-N 309.370 -0.195 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1 1256690703 HNVCREHTOBDTJU-UHFFFAOYSA-N 316.277 -0.453 50 20 DBGD O=C(Cc1ccc(Cl)cc1)NNC(=O)CN1C(=O)CNC1=O 1317703813 AFKBDKLPHAKIFQ-UHFFFAOYSA-N 324.724 -0.418 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2nnc(O)n2c1 1320394845 MRKBZRFRBHGDII-UHFFFAOYSA-N 301.266 -0.838 50 20 DBGD Cn1cnc(NC(=O)C(=O)NNC(=O)c2ccc(Cl)cc2)n1 1326282334 DMZZCNOEXMGWFX-UHFFFAOYSA-N 322.712 -0.132 50 20 DBGD CN(CCC1CCOCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331530066 ASSJMAGDGKOTDA-NSHDSACASA-N 312.370 -0.246 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3c(nc2O)CCC3)N1 1331804631 XMAMVVDJNUXDHK-SNVBAGLBSA-N 304.306 -0.685 50 20 DBGD Cc1noc(Cl)c1CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1335330010 QJRRQRJSUFHAMN-MRVPVSSYSA-N 314.729 -0.005 50 20 DBGD CC(F)(F)CCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1337770755 JDTPNBHSQKPMOE-ZETCQYMHSA-N 313.326 -0.061 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@]2(C)C[C@H](O)CN2)c1 1574152186 UGYJCRHIAVUYGH-BLLLJJGKSA-N 321.377 -0.057 50 20 DBGD Cc1onc(CC(=O)NNC(=O)[C@H]2CCCO2)c1-c1nn[nH]n1 1592516285 FLHOYMSQJVMDHN-MRVPVSSYSA-N 321.297 -0.968 50 20 DBGD O=C(COC1CCOCC1)NNc1ccc(-c2nn[nH]n2)cn1 1592886477 RXYHZMJBZVQZCF-UHFFFAOYSA-N 319.325 -0.100 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)c1ccccc1O 1594568249 KDSVGWPSDQJCGY-UHFFFAOYSA-N 304.262 -0.101 50 20 DBGD O=C(O)[C@H]1CCCCCN1C(=O)c1cc(B(O)O)ccc1F 1601810315 ANVFEJJULORAKW-GFCCVEGCSA-N 309.102 -0.025 50 20 DBGD O=C(O)COCCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 1602079918 QFUYHAPXEXJKPN-NSHDSACASA-N 323.305 -0.578 50 20 DBGD NCCCC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1 1606437530 MEBCVNSKLKSIMD-UHFFFAOYSA-N 304.314 -0.242 50 20 DBGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1609167558 HVAPBHDUUQSSIW-UHFFFAOYSA-N 323.236 -0.992 50 20 DBGD CC[C@H](NC(=O)NNC(=O)C(=O)O)c1nnc2n1CCCCC2 1609934498 PZEGYEPBWBDTEQ-QMMMGPOBSA-N 324.341 -0.129 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2cccc(C(N)=O)n2)O1 292691263 NBBGOFCPGWUALJ-CBAPKCEASA-N 307.310 -0.099 50 20 DBGD CC(C)(C)OC(=O)N1CC(O)(C(=O)NNc2ncccn2)C1 497267974 FZPLMSYZWOMZCA-UHFFFAOYSA-N 309.326 -0.099 50 20 DBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](O)C(F)(F)F 584967714 BFYODEOSYAQJQA-VHSXEESVSA-N 323.051 -0.063 50 20 DBGD CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584976754 SBKKCQYHSFJBMV-CHWSQXEVSA-N 311.118 -0.571 50 20 DBGD COCCN1CC[C@@H](CNCc2ccc(B(O)O)cc2F)C1 585021110 PGKIXZNHENDLHA-LBPRGKRZSA-N 310.178 -0.437 50 20 DBGD O=C(CCCNCc1ccc(B(O)O)cc1F)Nc1cn[nH]c1 585029720 SCAZUPPBVYWFKL-UHFFFAOYSA-N 320.133 -0.263 50 20 DBGD CN(C)C(=O)c1ccc(CNCc2ccc(B(O)O)o2)cn1 585037214 URWWJVBEBYJJER-UHFFFAOYSA-N 303.127 -0.654 50 20 DBGD O=C(NCC(=O)N1CC[C@@H](B(O)O)C1)c1ccc(F)cc1F 585065821 KMPJBAKOKOTTQW-MRVPVSSYSA-N 312.081 -0.230 50 20 DBGD CS(=O)(=O)NCCNC(=S)NNC(=O)NC1CCCC1 727083413 AOQSAQPAKFFSBS-UHFFFAOYSA-N 323.444 -0.844 50 20 DBGD CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNC(=O)CO 753438492 DXNRAHHYWBOEOR-QMMMGPOBSA-N 303.384 -0.536 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 757797079 PLFMVLYBJWDXJI-LDYMZIIASA-N 309.370 -0.922 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc2ccccc2[nH]1 758047292 KTTRKGFAROIRIO-MRVPVSSYSA-N 324.362 -0.133 50 20 DBGD COCCC(C)(C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 759574503 MHGGATPCSXIVRA-SECBINFHSA-N 321.399 -0.433 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=C1CCN2CCC[C@@H]12 765566371 WDZOBPKTFMWPIX-QMMMGPOBSA-N 324.366 -0.285 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(OC)c1F 770770924 DHUBTHPHSSYWSO-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD COCCn1cc(C(=O)NNC(=O)N2CCOCC2)c(C)n1 782553218 ZDQMERBAODRPJD-UHFFFAOYSA-N 311.342 -0.475 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC(=O)N1 800244106 LOTWXWIFUMJGIV-NXEZZACHSA-N 313.354 -0.220 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NN(C)[C@@H](C)CO)C1 823965111 ISKFHWWELNTYFC-QWRGUYRKSA-N 307.416 -0.608 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)[C@H](C)CS(C)(=O)=O 827301491 YLGZBFVEWGOHLZ-UTLUCORTSA-N 321.399 -0.483 50 20 DBGD CCc1sc(C(=O)NNC(=O)Cn2nnnc2CN)cc1C 830463026 FOHYEJYXQAKECQ-UHFFFAOYSA-N 323.382 -0.475 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCc2nnnn2CC1 846275583 JDQSVCODYXOQFJ-IVZWLZJFSA-N 308.342 -0.802 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)C1CCCC1 852279297 QMZLTLRCUDGXQM-ZJUUUORDSA-N 319.383 -0.681 50 20 DBGD CC(C)Oc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 862454889 CGGYYGSVXDNYQV-SNVBAGLBSA-N 306.322 -0.092 50 20 DBGD CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862470679 UTFMIXPFFWTFMO-VIFPVBQESA-N 323.309 -0.343 50 20 DBGD CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)CCCCl 882229340 IRJAILAJJOZXHG-QMMMGPOBSA-N 306.837 -0.138 50 20 DBGD C[C@@H]1CCN(CCNC(=O)NNC(=O)C(=O)N2CCCC2)C1 897432923 RXPMKPAMKHTGKL-LLVKDONJSA-N 311.386 -0.719 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCN1CCC[C@@H]1C 897482816 FXRDCRUXKSBRCM-NWDGAFQWSA-N 316.402 -0.147 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CC(N3CCOCC3)C2)cn1 911631588 ARMPCXVWHQKUFT-AWNIVKPZSA-N 301.350 -0.130 50 20 DBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1 916665517 CSXKVCALRMEYJE-UHFFFAOYSA-N 300.340 -0.745 50 20 DBGD C[C@]1(NNC(=O)NOC[C@@H]2CCOC2)CCS(=O)(=O)C1 1116749890 RPQISMSGMZJEGR-KOLCDFICSA-N 307.372 -0.665 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNc2cccnn2)CC1 1118313994 KJAYFJCNWNWCOK-UHFFFAOYSA-N 313.383 -0.019 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=S)NC1CCN(C)CC1 1319968806 QPUURGFEZBXHEV-UHFFFAOYSA-N 301.416 -0.900 50 20 DBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c1 1320147878 OMHVRUASKKLKNW-UHFFFAOYSA-N 312.355 -0.179 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nnc2n1CCCC2 1325999881 RJGAZVSNORJZGJ-VHSXEESVSA-N 322.369 -0.130 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCc3ncncc3C2)nn1 1327191050 WCFXMYCICSVVOM-MRVPVSSYSA-N 313.321 -0.386 50 20 DBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NN(C)C[C@H](C)O)c2C1 1333348335 XLCIJXBAPUTAMF-JQWIXIFHSA-N 323.397 -0.461 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)c2ncnn2C)n1 1338872723 NBWLMJFNCJMZDC-SNVBAGLBSA-N 320.357 -0.280 50 20 DBGD CC[C@@H](N)CNC(=O)NNC(=O)Cc1cn2ccccc2n1 1577122409 ORPKNGIODAPRLX-SNVBAGLBSA-N 304.354 -0.056 50 20 DBGD Cc1nc(C2CC2)nc(S)c1C(=O)NNC(=O)NCCN 1579850365 XMCZTIGOJWOWNA-UHFFFAOYSA-N 310.383 -0.146 50 20 DBGD Cc1c(C(=O)NNC(=O)C2(C(=O)O)CCCCC2)nnn1C 1594256573 DPAGHPBOSRLRNQ-UHFFFAOYSA-N 309.326 -0.080 50 20 DBGD O=C1CN(CC(=O)NNc2cccc(F)c2C(=O)O)CCN1 1602649692 WYDVQOUTJUUORH-UHFFFAOYSA-N 310.285 -0.601 50 20 DBGD CC(=O)NNC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1 1609622185 FYVQNONWSBZXEB-UHFFFAOYSA-N 308.294 -0.398 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)[C@]12CCCO2 1610030580 MQEXXRVYVYFOFY-JOAULVNJSA-N 301.299 -0.872 50 20 DBGD CC(C)OCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 64085842 JGXGZJBACGGHIZ-UHFFFAOYSA-N 304.310 -0.152 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n1C 122226859 ZQIVYUBXJOPZCV-UHFFFAOYSA-N 315.333 -0.080 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 263670738 IGEPTICBZALCHT-JTQLQIEISA-N 321.293 -0.101 50 20 DBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)Cc1cccnc1 264137344 XEMALCXEROYGJR-LBPRGKRZSA-N 321.381 -0.325 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)n2cncn2)C[C@@H](C)O1 264838407 KNQMFDSZIHQOGA-TUAOUCFPSA-N 324.385 -0.514 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)N2CCN(C)CC2)n1 279868372 VWGVQSNPNPAMFV-LBPRGKRZSA-N 305.382 -0.213 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)N1CCN(c2ccccc2)CC1 290891933 CZCKQXULIFUSDW-UHFFFAOYSA-N 316.361 -0.107 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1nnc[nH]1 293512384 AFPSZAGRLNZPTJ-AKEJEFCPSA-N 302.294 -0.945 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 299617514 YWMJLTXIRLPHNH-UHFFFAOYSA-N 319.317 -0.143 50 20 DBGD COC(=O)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1 493733267 NOBBEXRPQPAHRE-LLVKDONJSA-N 314.386 -0.048 50 20 DBGD CCOCC(=O)NNC(=O)NCC1CCN(C(=O)OC)CC1 495992513 NBIAGBYMFLAFLC-UHFFFAOYSA-N 316.358 -0.168 50 20 DBGD CCCCN1CCOC[C@H]1C(=O)Nc1cccc(B(O)O)c1 584914081 PDXCIKYIUYCVMX-AWEZNQCLSA-N 306.171 -0.194 50 20 DBGD CN(CCCNC(=O)c1ccc(B(O)O)cc1)CC(F)(F)F 584929804 PWLITFALJFZAER-UHFFFAOYSA-N 318.104 -0.020 50 20 DBGD O=C(NCc1nnc2n1CCCC2)c1cccc(B(O)O)c1 584930946 VCZZIQOEAQMZQM-UHFFFAOYSA-N 300.127 -0.776 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](c2nc[nH]n2)C1 585001399 VYCGTNMDTGKKGC-SECBINFHSA-N 304.090 -0.747 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N(CCOCCO)C1CCC1 585009270 VLEZCCUECQDCGX-UHFFFAOYSA-N 307.155 -0.630 50 20 DBGD OC[C@H]1CCCN1CCCCNCc1ccccc1B(O)O 585024206 UVTRGUXQMOSPMT-OAHLLOKOSA-N 306.215 -0.307 50 20 DBGD CN(C)[C@H](CNCc1cccc(B(O)O)c1)c1cnn(C)c1 585027487 AHACTXNEEJDLIY-OAHLLOKOSA-N 302.187 -0.508 50 20 DBGD CS(=O)(=O)CC1(CNCc2ccc(B(O)O)o2)CCC1 585045627 DMGDADCVPSVFJA-UHFFFAOYSA-N 301.173 -0.736 50 20 DBGD CC(C)N1CCN(c2ccc(C(=O)NCB(O)O)cc2)CC1 585060861 FVNXBZIGGSOTPF-UHFFFAOYSA-N 305.187 -0.041 50 20 DBGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NCB(O)O)cc1 585062695 WAELLWABZXYGJQ-UHFFFAOYSA-N 314.172 -0.637 50 20 DBGD O=C(COc1ccccc1)NCC(=O)N1CC[C@@H](B(O)O)C1 585071194 OGYKEIAUOAUVGV-LLVKDONJSA-N 306.127 -0.743 50 20 DBGD CCn1nc(C)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1C 726944259 SJVNPQHYQQJFNC-UHFFFAOYSA-N 307.354 -0.097 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)Cc1cccnc1 728950466 PSELFVULWQPWQY-UHFFFAOYSA-N 307.354 -0.177 50 20 DBGD CCCNC(=O)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 733194846 QYIYDJOWIUEKFE-LBPRGKRZSA-N 310.398 -0.218 50 20 DBGD C[C@]1(NNC(=O)NC[C@@]2(C)CCOC2)CCS(=O)(=O)C1 733650971 DKTPWNFWESGRDA-NEPJUHHUSA-N 305.400 -0.206 50 20 DBGD C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 744403299 OVFNKYAPVZPWFK-UWVGGRQHSA-N 321.443 -0.067 50 20 DBGD COC[C@@](C)(CC(=O)OC)NCC(=O)NNC(=O)C1CC1 755979938 JEFJPFYCFBMOAO-CYBMUJFWSA-N 301.343 -0.898 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(O)c(NC(C)=O)c1 765059763 MVCMXLQOFOEQAZ-UHFFFAOYSA-N 316.339 -0.137 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CSCC(=O)N1CCCCC1 768246095 WPGAUGPGABEACL-UHFFFAOYSA-N 317.411 -0.350 50 20 DBGD CN1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)C1=O 772511803 NCXNKKPRWUQSAP-LLVKDONJSA-N 319.317 -0.531 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccncn2)c1 777517843 ZGTMVTJIPUBANQ-UHFFFAOYSA-N 320.330 -0.045 50 20 DBGD CCCN(CC(=O)NNC(=O)C1CC1)[C@@H]1CC(=O)N(C)C1=O 801584278 GBIMSWRHPNDHKU-SNVBAGLBSA-N 310.354 -0.987 50 20 DBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)o1 823595934 YQQHLDINJKOBQS-JTQLQIEISA-N 308.338 -0.229 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(C#N)c1 826090009 UNLALHDGMPMAPF-VIFPVBQESA-N 324.362 -0.353 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1nnnn1C1CC1 826614571 OXYANDCTHMRQSN-NRPADANISA-N 323.357 -0.176 50 20 DBGD CC(C)OC[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)C1CC1 827016179 LUTQNAAFDAZQMT-JTQLQIEISA-N 301.343 -0.646 50 20 DBGD O=C(NNc1ccc(F)cc1F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830781850 KZODLJJQCLEULS-IJLUTSLNSA-N 300.261 -0.179 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 841378073 WQEITKPQYUHQLX-PSASIEDQSA-N 317.305 -0.099 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2sccn2c1=O 843641980 HZOSMOANMCZEJJ-SFYZADRCSA-N 322.346 -0.058 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(OCC(N)=O)c1 843645642 NNPOYEVVNGOPBX-SKDRFNHKSA-N 321.333 -0.263 50 20 DBGD CNC(=O)[C@@H]1Cc2ccccc2N1CC(=O)NNC(=O)C1CC1 852075149 KEIWTCCTIAOIBD-ZDUSSCGKSA-N 316.361 -0.279 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC[C@@H](CN2CCCC2=O)C1 852678208 FGPNISJIHPGQSD-GFCCVEGCSA-N 310.398 -0.266 50 20 DBGD COC(=O)NC1CCN(CC(=O)NNC(=O)C(C)C)CC1 852764365 FAWZRYSIVTXLDQ-UHFFFAOYSA-N 300.359 -0.390 50 20 DBGD O=C(NNS(=O)(=O)C[C@H]1CCCO1)c1cccc(F)n1 853051693 QDJPVFGQFMMBHK-MRVPVSSYSA-N 303.315 -0.036 50 20 DBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CCNC1=O 854219210 MEGHFNZLSYTREE-LLVKDONJSA-N 300.318 -0.006 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nc1Cl 862459636 AFYGFWGQGOMDKV-ZCFIWIBFSA-N 312.713 -0.217 50 20 DBGD COC(=O)C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 863876488 CVMLAFPDWXASST-LBPRGKRZSA-N 309.102 -0.423 50 20 DBGD CNC(=O)CN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1 879757995 KBRLZEUVPHOWIC-UHFFFAOYSA-N 318.377 -0.208 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H]1COCCN1C(=O)OC(C)(C)C 910159813 KXXDYBBKZKDJBM-WDEREUQCSA-N 317.386 -0.034 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1c(C)nc(C)nc1O 1116663947 VARBSAXUHVVUIP-MRVPVSSYSA-N 324.337 -0.169 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C(N)=O)ccc1C 1116730617 WLGAJHANGZKPJD-UHFFFAOYSA-N 321.337 -0.275 50 20 DBGD CN(C)N(C(=O)C[C@@H]1CCCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1117486692 XWKMLTLQIZKNDT-QWRGUYRKSA-N 317.411 -0.463 50 20 DBGD Cc1ncsc1/C=C/C(=O)NNC(=O)CS(C)(=O)=O 1119896603 PPYOWBBXXOPAPJ-ONEGZZNKSA-N 303.365 -0.343 50 20 DBGD O=C(CC[C@H]1CCCO1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317977745 KCSOFPQZLQYRTE-NXEZZACHSA-N 319.383 -0.537 50 20 DBGD COc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)CCO 1321215454 QTYDYUYNXFWWAY-UHFFFAOYSA-N 324.337 -0.068 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)c1ccc[nH]1 1326703991 FOKKKXINVCQMOA-UHFFFAOYSA-N 302.356 -0.375 50 20 DBGD CS(=O)(=O)c1cccc(C=NNC(=O)[C@@H]2CCC(=O)N2)c1 1331723698 WTTDDILQBLVRSB-NSHDSACASA-N 309.347 -0.181 50 20 DBGD CN(C)N(C(=O)c1ccn2nnnc2c1)[C@@H]1CCS(=O)(=O)C1 1334407733 HKZUEWJWPAIQLW-SNVBAGLBSA-N 324.366 -0.770 50 20 DBGD C=C[C@@H](COC)NC(=O)NNC(=O)CNC(=O)c1ccco1 1339421503 HRSAWZIYRZOSHJ-VIFPVBQESA-N 310.310 -0.459 50 20 DBGD C[C@@H](CN1CCCCC1)C(=O)NN=Cc1cn(CC(=O)O)nn1 1340610174 XWFZGDZIZFENCT-NSHDSACASA-N 322.369 -0.065 50 20 DBGD C[C@@]1(NNC(=O)NCCc2cn[nH]c2)CCS(=O)(=O)C1 1347435197 PGWFMOICBIGIBH-LLVKDONJSA-N 301.372 -0.667 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N(CCO)CCOCCO)cn1 1351614896 BTYAXNKPPAYNCX-MDWZMJQESA-N 308.338 -0.843 50 20 DBGD Cn1nncc1NNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 1580027454 OLGWLTXYKQQMAQ-SNVBAGLBSA-N 315.337 -0.216 50 20 DBGD Cn1cc(-c2nn[nH]n2)c(NC(=O)NNC(=O)C2CCCC2)n1 1592560442 CGLJRIOJXZNMBX-UHFFFAOYSA-N 319.329 -0.057 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1)NC1CC1 1593157198 ACWLMJGJTOMPOT-UHFFFAOYSA-N 303.282 -0.321 50 20 DBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 1601379503 VJCKYRPFXPXYAD-OPRDCNLKSA-N 308.294 -0.704 50 20 DBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=S)NCC1CCC1 1608375982 PZQZJKYREQHQKY-UHFFFAOYSA-N 311.367 -0.123 50 20 DBGD COC(=O)[C@@H](Cc1c[nH]c2ccc(B(O)O)cc12)NC(C)=O 205042178 XWKRNMFMPARBLT-CYBMUJFWSA-N 304.111 -0.932 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)Cc2ccncc2)CC1=O 266939177 BBONYUNUDNPSKM-GFCCVEGCSA-N 320.349 -0.734 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)n1 268441469 KOURGTSUOYQHRJ-RKDXNWHRSA-N 324.341 -0.547 50 20 DBGD C[C@@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCCOC1 272668925 JXOKKRGHQYWOCS-OAHLLOKOSA-N 320.349 -0.225 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1c(F)cccc1F 273489085 MVOHYMNLDWBMDU-LURJTMIESA-N 321.305 -0.337 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1cncnc1OC 273501785 YXLOEPOJRMWHOM-MRVPVSSYSA-N 313.314 -0.311 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)F)c1ccccn1 274545606 GGHVIGQAPNTWSX-JTQLQIEISA-N 314.292 -0.192 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 292654573 GTZRNRFBDRWDPQ-UHFFFAOYSA-N 322.321 -0.462 50 20 DBGD COCCN(C)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 297126527 PNTUIBAWPXKFRI-LLVKDONJSA-N 314.367 -0.674 50 20 DBGD O=C1C[C@@]2(CCCN(C(=O)c3cc(B(O)O)ccc3F)C2)CN1 584954083 CFLCGRVMRZFWID-HNNXBMFYSA-N 320.129 -0.752 50 20 DBGD COC1CCN(CCNC(=O)c2cccc(B(O)O)c2)CC1 584960695 NFPUKDFEFFWGLH-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](O)[C@]12CCSC2 585007950 DGAGVWNIGARUOF-TZMCWYRMSA-N 307.180 -0.551 50 20 DBGD CN1C(=O)C(=CNNC(=O)Cc2ccncc2)C(=O)N(C)C1=O 747864558 PPXYYMBKLJPWND-UHFFFAOYSA-N 317.305 -0.821 50 20 DBGD CCOC(=O)NCCC(=O)O[C@@H](C)C(=O)NNC(=O)CC 771989632 TVENMTAWQRQNLV-QMMMGPOBSA-N 303.315 -0.388 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H](O)c2cnn(C)c2)c1 773716584 PPMQGCXOMZOCMO-ZDUSSCGKSA-N 317.349 -0.019 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2cc[nH]c2n1 779488675 HMSSFCKEBYIZNR-VIFPVBQESA-N 322.346 -0.241 50 20 DBGD COC(=O)CNC(=O)NNC(=S)Nc1ccc(OC)nc1 779720550 KISVQGZRNLUUFU-UHFFFAOYSA-N 313.339 -0.236 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)s1 797817843 FFXCEHHNVYHWDJ-UHFFFAOYSA-N 316.364 -0.145 50 20 DBGD O=C(NCc1ccco1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 823261541 MQSCVHFZRYFOLW-UHFFFAOYSA-N 316.281 -0.068 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)NC1CC1 823273138 FPGGWYUKEBCKJM-UHFFFAOYSA-N 317.284 -0.266 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CC(F)C1 841576591 BYINZEYCURCKBH-UHFFFAOYSA-N 300.315 -0.128 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CNCCO2)cc1 842010459 IAQHFJMMMRZLGZ-ZDUSSCGKSA-N 322.365 -0.307 50 20 DBGD CO[C@H](CC(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 842231251 HPBAZFJCIKVXJW-RKDXNWHRSA-N 309.388 -0.867 50 20 DBGD CCOC(=O)c1cc(C=NNC(=O)CN2CCCC2=O)[nH]n1 842521184 FKYZODKQBVNMHG-UHFFFAOYSA-N 307.310 -0.341 50 20 DBGD CCC(CC)(CO)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 847384423 PUZPTKKGQVFURJ-SECBINFHSA-N 321.399 -0.697 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)C2(n3cnnn3)CC2)c1 854263811 PHAKWBWUHJJKTD-UHFFFAOYSA-N 315.337 -0.311 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN1CCCCC1=O 854280191 QXHVVANQFQNVJD-UHFFFAOYSA-N 316.427 -0.127 50 20 DBGD CN1CCN(C(=O)NNC(=O)COc2ccc(CO)cc2)CC1 854383001 RZNBEWMPJBNNJF-UHFFFAOYSA-N 322.365 -0.454 50 20 DBGD CCOc1ccc(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 854657058 UKNODABKHIGLKV-MGPQQGTHSA-N 308.334 -0.059 50 20 DBGD O=C(NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)C(=O)NC1CC1 858167417 BLBVECPBZLDQDX-OAHLLOKOSA-N 322.365 -0.891 50 20 DBGD Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862458188 ZKSCBLDRQHFSAK-VHRBIJSZSA-N 319.361 -0.115 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CCn1cc(Cl)cn1 863459329 ATROENGDVRYYQC-UHFFFAOYSA-N 308.747 -0.881 50 20 DBGD CN(CCc1ccccc1)CC(=O)NNC(=O)C(=O)NC1CC1 873837472 WCZPSCNUHIIMQY-UHFFFAOYSA-N 318.377 -0.413 50 20 DBGD CCS(=O)(=O)NCCCNS(=O)(=O)CCCCl 881843867 DBGUUMABLVLGES-UHFFFAOYSA-N 306.837 -0.136 50 20 DBGD O=C(NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)C(=O)N1CCCC1 906472024 RKOVYEPZVJASEI-KKFJDGPESA-N 315.757 -0.315 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)Sc1nnnn1C1CC1 910168462 OVRJMQDCBTZIRE-HTQZYQBOSA-N 300.388 -0.168 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc2nccn12 913731331 DLYZTNKTCAYWNE-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)c1 915691065 IRQNNMQOBMXSLR-VIFPVBQESA-N 321.333 -0.009 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 1116565922 JCYRNARJTWVKTM-UHFFFAOYSA-N 317.371 -0.761 50 20 DBGD CN(C)C(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 1118309172 NTHRHFDCJLOJCY-UHFFFAOYSA-N 306.388 -0.650 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2nn[nH]c2c1 1317736544 FOKLHOWUTVOAOO-MRVPVSSYSA-N 323.334 -0.846 50 20 DBGD CN(C)CC(=O)NNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 1318521197 JIWCBWIJSDOCLR-UHFFFAOYSA-N 307.354 -0.427 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 1320520807 DIONGIPAQZZOMV-UHFFFAOYSA-N 305.212 -0.428 50 20 DBGD CCc1nn(C)cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1320536358 RLYQMCQSNBTUCI-QMMMGPOBSA-N 314.367 -0.822 50 20 DBGD COc1ncncc1NC(=O)C(=O)NNC(=O)c1ccccc1 1321139706 RPMYYCCUGZWFPS-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)Nc1ccccn1 1323813471 KHNWPSWPPIDMEP-KXUCPTDWSA-N 304.306 -0.265 50 20 DBGD CCNC(=O)NNC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1323861389 HQUQMLSJCRZIPR-UHFFFAOYSA-N 314.367 -0.513 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C1(S(C)(=O)=O)CCOCC1 1324163637 NQRHDACZCLPTLL-UHFFFAOYSA-N 306.384 -0.226 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ns1 1326432534 RMGUJEPCQUYIQD-SSDOTTSWSA-N 303.365 -0.353 50 20 DBGD N#Cc1ncn(CC(=O)NNc2ccc(-n3ccnc3)nn2)n1 1326495128 RYUMKHGUMSQLGI-UHFFFAOYSA-N 310.281 -0.731 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNc1ncc(F)cn1 1329008457 KINAKOOMSSPUCF-ZETCQYMHSA-N 302.335 -0.151 50 20 DBGD O=C(NNc1ncc(F)cc1F)c1cnn(C[C@@H](O)CO)c1 1330849341 UOHNCAKFVPOABP-SECBINFHSA-N 313.264 -0.334 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1345724564 ZPHXIYIINJNVOF-NXEZZACHSA-N 300.359 -0.486 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccc(C(N)=O)nc1 1345742956 VLKYABGSOSPPHY-SCZZXKLOSA-N 321.337 -0.564 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H]2CN3CCN2C[C@@H]3C)n1 1349160104 UPIGSYBJOIBANH-WDEREUQCSA-N 306.370 -0.375 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2C[C@@H](N)C2)c2ccccc2c1=O 1574226690 PFRIWWIZTNSSHC-DTORHVGOSA-N 315.333 -0.568 50 20 DBGD O=C(NCc1ncccn1)NNc1ccc(-c2nn[nH]n2)cn1 1593154053 TXKFITSQEXOIHQ-UHFFFAOYSA-N 312.297 -0.122 50 20 DBGD C[C@@H]1C[C@]2(CC[C@H](CNC(=O)NNC(=O)C(=O)O)O2)CO1 1594287966 ZJRNKLMFABDBEA-DNSOKLHBSA-N 301.299 -0.872 50 20 DBGD O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)[C@@H]1COCCO1 1594779787 WPZWTXJFZMLAOH-RUMNANIHSA-N 312.322 -0.560 50 20 DBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cn1 1609714349 YYKSHMCQJJOWKF-UHFFFAOYSA-N 310.266 -0.961 50 20 DBGD C[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793116707 RENXUXUEBRNXID-QUARPLMYSA-N 304.774 -0.395 50 20 DBGD O=C(C[C@@H]1C=CCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 48952859 WSIWNHHBDIPNQB-NXEZZACHSA-N 301.368 -0.140 50 20 DBGD CCNC(=O)N(C)NC(=O)Cn1c(O)nc(=O)c2ccccc21 272711214 XUDQVFDREYLTKE-UHFFFAOYSA-N 319.321 -0.205 50 20 DBGD CCN1CCN(CC(=O)NNc2ncccc2C)C(=O)C1=O 276649619 AASALNNFRHXPLO-UHFFFAOYSA-N 305.338 -0.476 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)Cn2nnnc2N1C 293986915 TZRXLOIZSMBKEM-XVKPBYJWSA-N 321.341 -0.888 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 373200391 HDPFDAKCCFLRCW-NSHDSACASA-N 323.324 -0.182 50 20 DBGD CCNC(=O)N(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 374729099 VNEYOPHHRKILAK-UHFFFAOYSA-N 310.358 -0.536 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)Cn1cccn1 584930500 LULJSVMYDNMSGR-SNVBAGLBSA-N 305.118 -0.232 50 20 DBGD C[C@H]1COCCN1C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584942909 ZQRLKIWPTPTAED-MNOVXSKESA-N 324.161 -0.656 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 584943698 MBVNKQJBKRQORV-ZDUSSCGKSA-N 323.179 -0.842 50 20 DBGD CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(B(O)O)cc2)C1 584964935 LURZHDQFAHKVMG-DZGCQCFKSA-N 302.183 -0.077 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@@](=O)C1 584982036 IAKGKFKEPBYINS-AOUSDQRYSA-N 313.159 -0.654 50 20 DBGD O=C1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)[C@@H](C2CC2)N1 584986881 DSFBWRPASRTMKW-TZMCWYRMSA-N 302.139 -0.847 50 20 DBGD CC1(C)NC(=O)CC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584987919 XSGDLUMNRQWLKZ-NSHDSACASA-N 308.118 -0.708 50 20 DBGD O=C(N[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1)C1CC1 585007209 FCQSFLJOAHHVPG-NSHDSACASA-N 320.129 -0.754 50 20 DBGD CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](B(O)O)C1 585072591 OYVVNIPOQGHDPF-NXEZZACHSA-N 300.189 -0.237 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=S)NCC(C)(C)CN(C)C 727072055 JDPDFBXZTJYCBE-UHFFFAOYSA-N 317.459 -0.406 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCS(=O)(=O)CC1 732211459 DFXDMTVMPMBBQS-LLVKDONJSA-N 319.427 -0.311 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)NC)cs1 748701956 FGAAQUDKHIPHJA-UHFFFAOYSA-N 306.369 -0.380 50 20 DBGD CCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 749357080 PUVHJGWBOIFFMQ-SECBINFHSA-N 308.342 -0.107 50 20 DBGD CC[C@H](C)OCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751696153 BPLABIYUSRLHMB-DTWKUNHWSA-N 307.372 -0.681 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CCn2cc[nH]c(=O)c2=O)o1 752776176 BMXAELGMXFRIPG-UHFFFAOYSA-N 306.278 -0.711 50 20 DBGD COCCn1ccc(NC(=O)NNC(=O)c2cnccn2)n1 756311186 MQMSZINXPWRLNM-UHFFFAOYSA-N 305.298 -0.214 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cnc(OC)c(C(N)=O)c1 757692661 NSVXHDUMXUIGMA-UHFFFAOYSA-N 311.298 -0.622 50 20 DBGD COCC1(O)CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 759324714 KPTAYEDGRHYMJB-UHFFFAOYSA-N 301.387 -0.347 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](S(C)(=O)=O)C1 763915661 CRNXEONNTYKQSL-UWVGGRQHSA-N 305.400 -0.559 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2c[nH]nc2C)c(C)n1 782663418 QNWPIKDAEFSCQM-UHFFFAOYSA-N 306.326 -0.056 50 20 DBGD COCC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 785949408 LBDVEKDKDHONQY-VIFPVBQESA-N 319.383 -0.679 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1nccnc1OC 816971137 USFBMECIPLEXIJ-SSDOTTSWSA-N 303.344 -0.744 50 20 DBGD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)CC(C)C 821160351 MGBLYCGEWSVELV-IUCAKERBSA-N 307.372 -0.825 50 20 DBGD O=C(O)CCCCNC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 821518895 QGRMGMQRWWTMCZ-QMMMGPOBSA-N 321.355 -0.994 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 823952860 UYCFQVPMDRINFH-GXFFZTMASA-N 319.361 -0.151 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CCNS(=O)(=O)c1ccccc1 823987936 MZDBCZWHGHSLFO-NSHDSACASA-N 315.395 -0.301 50 20 DBGD COc1cccc([C@H](O)C(=O)NNC(=O)N2CCN(C)CC2)c1 854378775 BKCSHVBJAQENIS-ZDUSSCGKSA-N 322.365 -0.283 50 20 DBGD COC(=O)NCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855830462 GASSDLQWXHVCDS-UHFFFAOYSA-N 316.358 -0.568 50 20 DBGD C=CCCSCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858604131 JUWLJSLWMXNSHQ-SECBINFHSA-N 300.384 -0.095 50 20 DBGD CCSC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858618418 BLDBDMWFYSXQQK-QMMMGPOBSA-N 300.384 -0.119 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 858974151 RDSSLLBKWFXZIZ-DTWKUNHWSA-N 302.331 -0.706 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ncnc3ccsc23)N1 862464373 XQUUHWOCIHGQAT-ZETCQYMHSA-N 305.319 -0.269 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C(=O)c1ccc2c(c1)CCC2 863460413 WADZRNJJPBKEHJ-UHFFFAOYSA-N 324.358 -0.450 50 20 DBGD CC(C)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)N1CCCC1 867957556 QCLCRKYJMPZJLY-UHFFFAOYSA-N 322.145 -0.364 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 910162945 LTJVBTOZCZLOKR-GXFFZTMASA-N 319.361 -0.151 50 20 DBGD C[C@@H](NS(=O)(=O)CBr)[C@H]1CN(C)CCN1C 919990586 QMFIFADGYJYIGM-RKDXNWHRSA-N 314.249 -0.108 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnc2sccn2c1=O 1116560913 ZCEDZSCDDMBUQF-UHFFFAOYSA-N 318.318 -0.517 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc2c1CNC2=O 1117432307 IQDMXIRQFNKDOI-UHFFFAOYSA-N 304.306 -0.328 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC1(CN(C)C)CCCC1 1254794650 XTRWHWZGASOIHA-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1nc[nH]n1 1319433560 UKUFSFHQJLZQMZ-UHFFFAOYSA-N 316.325 -0.728 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc[nH]2)cn1 1320230960 JMWFSTQKAFDRRS-UHFFFAOYSA-N 303.278 -0.182 50 20 DBGD Cn1cccc(NC(=O)C(=O)NNC(=O)OC(C)(C)C)c1=O 1320246395 NHFZHKSUKIEYAA-UHFFFAOYSA-N 310.310 -0.120 50 20 DBGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320348827 FHTFCPKCFCLVRB-UHFFFAOYSA-N 323.305 -0.266 50 20 DBGD CC(C)N1CC[C@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1329174107 TYTDRRREFIATAG-GHMZBOCLSA-N 311.386 -0.674 50 20 DBGD COC(=O)Cc1occ(C)c1C(=O)NNC(=O)C(=O)NC1CC1 1329945900 UDPOVTUBBHZSRS-UHFFFAOYSA-N 323.305 -0.657 50 20 DBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ccc(C#N)cc2)nn1 1334936558 MZGCSYYZKABQAA-UHFFFAOYSA-N 313.321 -0.005 50 20 DBGD COC(=O)c1nscc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1335432198 LVGICBMRYHNRIW-LURJTMIESA-N 320.157 -0.833 50 20 DBGD Cc1c(C(=O)NNC(=O)N2CCC[C@@H](CC(=O)O)C2)nnn1C 1605077079 OHDYFUVSMKMIDT-VIFPVBQESA-N 324.341 -0.335 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(F)cc(C(=O)O)c2)nn1 1608098800 PQACJTPEZWPDOA-UHFFFAOYSA-N 307.241 -0.273 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cnc(C)c(-c2nn[nH]n2)c1 1609181736 VBYVOSATEBEDNJ-UHFFFAOYSA-N 311.327 -0.710 50 20 DBGD CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1795572870 DNWIZDGOIOPFPW-WRWGMCAJSA-N 317.817 -0.214 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 15639391 LWLAWTOXJMCUDR-JTQLQIEISA-N 314.338 -0.050 50 20 DBGD COc1ccsc1S(=O)(=O)NNC(=O)N1CCOCC1 268341536 GTTPSFUZIHKWDJ-UHFFFAOYSA-N 321.380 -0.008 50 20 DBGD COCCN(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 288550251 YQFIUBONAOXYGO-XRRVDJEJSA-N 307.350 -0.597 50 20 DBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C(C)C 491509815 UOMSBLKPSQDFJD-SNVBAGLBSA-N 311.342 -0.048 50 20 DBGD CC(=O)NC1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 584937384 CHAJPLKFSWBYJS-UHFFFAOYSA-N 322.145 -0.317 50 20 DBGD CC(C)n1cnnc1CCNC(=O)c1ccc(B(O)O)c(F)c1 584944425 PNIYKOYBIOFRAW-UHFFFAOYSA-N 320.133 -0.350 50 20 DBGD COCCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H]1C 584950761 LDCUEXPAOVMNNW-NSHDSACASA-N 324.161 -0.702 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(Cn2cncn2)CC1 584974821 RJGIARNHLBOTES-UHFFFAOYSA-N 314.154 -0.490 50 20 DBGD O=C(NCC(O)(C1CC1)C1CC1)c1ccc(B(O)O)c(F)c1 585006108 RIODXANYJDAJPP-UHFFFAOYSA-N 307.130 -0.214 50 20 DBGD CC1(C)CN(CCNCc2ccc(B(O)O)cc2F)CCO1 585022651 UZPJRQLVMBKETR-UHFFFAOYSA-N 310.178 -0.294 50 20 DBGD OC[C@H](C[C@@H](O)c1ccccc1)NCc1ccc(B(O)O)o1 585035923 ZWNVPINCKJXRMV-GXTWGEPZSA-N 305.139 -0.466 50 20 DBGD O=C(CNC(=O)c1ccncc1)NNC(=O)Cc1cccnc1 728982347 ZWARIJVLOQMBGM-UHFFFAOYSA-N 313.317 -0.404 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ncccn2)CC1 731848959 PUJSPVCGWSLXFB-LLVKDONJSA-N 306.370 -0.456 50 20 DBGD O=C(CN1CCN(C(=O)N2CCCC2)CC1)NNC(=O)C1CC1 733193530 UQYQIDIAJYXIKP-UHFFFAOYSA-N 323.397 -0.623 50 20 DBGD CCOC(=O)C1(C(=O)NNC(=O)C(=O)N2CCCC2)CCC1 751804618 REIIAEOQGPTVMD-UHFFFAOYSA-N 311.338 -0.510 50 20 DBGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)C(=O)NC1CC1 755340686 VPJCLMGUEKTHQS-UHFFFAOYSA-N 322.277 -0.357 50 20 DBGD C#CCOCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 755414993 MPUHCKKFEOHHNZ-UHFFFAOYSA-N 314.305 -0.537 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(Br)c1 764427920 ADDWBYZXTBHTBS-UHFFFAOYSA-N 316.111 -0.473 50 20 DBGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(C)=O)c1 765990859 ZHIZBCOFXZSZRX-UHFFFAOYSA-N 303.315 -0.095 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)C)cn1 770207699 HFVDWOQDTYIKHD-UHFFFAOYSA-N 300.340 -0.593 50 20 DBGD CSCCNC(=S)NNC(=O)CN1CCCCC1=O 770240560 PVGHKQNYUVDYKN-UHFFFAOYSA-N 304.441 -0.143 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1CCCCS1(=O)=O 802030567 JDEOPCMMKXZEQU-SNVBAGLBSA-N 312.351 -0.377 50 20 DBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNc3nc[nH]n3)ccc21 816631242 KSRHTQVYPZBJGR-UHFFFAOYSA-N 315.293 -0.415 50 20 DBGD O=C(CC1CC1)NNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 819109864 MQBNXRXITOIWKR-UHFFFAOYSA-N 302.290 -0.223 50 20 DBGD COC(=O)c1ccc(NNC(=O)C2(n3cnnn3)CC2)nc1 831284185 BKOOZONUDRVLES-UHFFFAOYSA-N 303.282 -0.513 50 20 DBGD O=C(O)COc1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)cc1 833253486 GUGMKNYPQPNGDP-NSHDSACASA-N 324.289 -0.674 50 20 DBGD COC[C@H]1CN(C(=O)NNC(=O)c2cccc(F)n2)CCO1 852709333 SGVXRRSBCPCDKO-SECBINFHSA-N 312.301 -0.078 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1COCCN1 861682042 OBQHSFPCUOFOGR-CYBMUJFWSA-N 322.365 -0.478 50 20 DBGD Cc1cccc(NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)n1 862519979 ZLEQCRUOSIGWSO-JTQLQIEISA-N 313.383 -0.251 50 20 DBGD COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCC(=O)N1 863378535 FHAMDKRLIBMQJU-NWDGAFQWSA-N 323.324 -0.191 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H]1CSCCS1 863464187 JDOADCZGQGHYKQ-SSDOTTSWSA-N 312.438 -0.583 50 20 DBGD CCC[C@H](OCC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 863865569 GJMHYOIENJYAKZ-IUCAKERBSA-N 309.388 -0.723 50 20 DBGD OB(O)c1ccccc1CNC[C@@H]1COC2(CCOCC2)O1 863890721 CAVPSDIEZVMSIC-CYBMUJFWSA-N 307.155 -0.622 50 20 DBGD CCN1CCN(c2ccc(NC(=O)C(=O)NN)cc2F)CC1 868248224 OPJLUHYRYPYPBQ-UHFFFAOYSA-N 309.345 -0.104 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCCN(CC(F)F)C2)N1 869385585 OGULDYBQFHYVIO-RKDXNWHRSA-N 318.324 -0.611 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C 1116604776 YHRYJMAIRYYHFW-UHFFFAOYSA-N 308.250 -0.543 50 20 DBGD C[C@H](NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(F)(F)F 1118944890 WCEHJCDWQKPQMN-YFKPBYRVSA-N 304.232 -0.357 50 20 DBGD Cc1cc(C(=O)N2CC[C@H](B(O)O)C2)c2c(O)nn(C)c2n1 1118974597 HZSQLRLSXYAVTC-QMMMGPOBSA-N 304.115 -0.329 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCCCS(C)(=O)=O)n1 1321069336 DKFBLWYMHCNJBU-UHFFFAOYSA-N 314.367 -0.231 50 20 DBGD CC(C)(CO)CCCNC(=O)NNC(=O)C(=O)NC1CC1 1322449603 NWVUFCXDYCYXHH-UHFFFAOYSA-N 300.359 -0.606 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCO[C@H]1CCOC1 1326007584 WZLNYCDPYIOVDO-SRVKXCTJSA-N 315.370 -0.063 50 20 DBGD Cc1cnc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccn12 1326770749 FBBOZCNTDDWZQN-UHFFFAOYSA-N 301.306 -0.318 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(Cl)nc2N)CC1 1329277353 TYPJYBRIRYPOMR-UHFFFAOYSA-N 312.761 -0.081 50 20 DBGD O=C(NNC(=S)NC1CCC1)N[C@@H]1CCS(=O)(=O)C1 1343847180 SHLZKVLOBBMQTA-MRVPVSSYSA-N 306.413 -0.596 50 20 DBGD O=C(NNC(=O)C1CCOCC1)N[C@@H]1C[C@@H]2CCCCN2C1=O 1353044760 RKWUGWYLNCHTNP-NWDGAFQWSA-N 324.381 -0.103 50 20 DBGD COc1ccc(NNC(=O)[C@@H]2CCCN(CCN)C2=O)nc1 1579230553 QSCFAFPNMOJMES-NSHDSACASA-N 307.354 -0.269 50 20 DBGD NCCN1CCC[C@@H](C(=O)NNc2ncncc2Cl)C1=O 1580311488 WXSIHPPFMXTHLH-QMMMGPOBSA-N 312.761 -0.230 50 20 DBGD O=C(NNC(=O)C1(O)Cc2ccccc2C1)[C@@H]1CCCNC1 1580732739 IDCVIQBSDRLBSJ-CYBMUJFWSA-N 303.362 -0.337 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CC(C(=O)O)=NO1)C1CC1 1589121376 KDJWSLOLODVFOX-XNCJUZBTSA-N 300.340 -0.490 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C(=O)O)C(C)C 1589512410 AFMMFTDPCJZTPJ-VIFPVBQESA-N 301.343 -0.205 50 20 DBGD Cc1nn(CC(=O)NNc2ccc(F)c(C(=O)O)c2)c(=O)n1C 1600781242 ZOQZDTVJHWNFLP-UHFFFAOYSA-N 323.284 -0.129 50 20 DBGD O=C(NCCOc1ccc(Cl)cn1)NNC(=O)C(=O)O 1601506950 XEGZCFYTDHCXDF-UHFFFAOYSA-N 302.674 -0.471 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnccc1C(=O)O 1604859561 XUHWLPQECZGVBE-ZETCQYMHSA-N 309.278 -0.118 50 20 DBGD C[C@H](C(=O)NNc1ncc(F)cn1)n1cnc(-c2nn[nH]n2)n1 1609071261 ZUSWVCHUSQPMEN-RXMQYKEDSA-N 319.264 -0.908 50 20 DBGD O=C(c1ccnnc1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349774 NOPOLRVKTBLICK-NSHDSACASA-N 324.768 -0.107 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(CCO)CC1 111192387 OWJVXZMWNZGXOO-GFCCVEGCSA-N 300.403 -0.822 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1=O 172403605 IZFWMLWPHODTFL-NSHDSACASA-N 308.313 -0.071 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 264176250 XFYQEDRITGFFIW-JTQLQIEISA-N 313.379 -0.377 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CCCCC(=O)N1 279713329 KUDBHTSYAUBAOF-MRVPVSSYSA-N 304.441 -0.097 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 494742695 QGKBSYOSOYJDBJ-UHFFFAOYSA-N 318.330 -0.643 50 20 DBGD CN(C)C(=O)O[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 495970745 QFTALVZZASTAJD-NSHDSACASA-N 312.370 -0.294 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@](O)(C(F)(F)F)C1 584948627 DQOCGXYIOHGVRT-NSHDSACASA-N 321.035 -0.355 50 20 DBGD NC(=O)C[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584955671 SQKNCFCEJXLRDF-VIFPVBQESA-N 308.118 -0.767 50 20 DBGD CCC(=O)N[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584972591 AXDAVICMEJDHIV-JTQLQIEISA-N 308.118 -0.754 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](c2nc(O)n[nH]2)C1 584987606 WRMUOXQUHJCBIA-JTQLQIEISA-N 316.126 -0.790 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)NCCn1cncn1 731405354 KHEORVBKZOIBML-UHFFFAOYSA-N 306.301 -0.010 50 20 DBGD CCCCOCCNC(=O)NNC(=O)C(=O)N1CCCC1 748460464 JLJPEMDMXMVTHK-UHFFFAOYSA-N 300.359 -0.244 50 20 DBGD COC(=O)CNC(=O)NN=C1C(=O)Nc2cc(N(C)C)ccc21 761827491 SNHLWKDKHYRJKP-UHFFFAOYSA-N 319.321 -0.119 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1OC 764299438 HNXKWTYBBMEFQT-UHFFFAOYSA-N 311.294 -0.564 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cnc2ccccc2c1 764302734 GUTSBYQCIZCCFO-UHFFFAOYSA-N 302.290 -0.033 50 20 DBGD CC(C)C(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1F 769739170 VBNFWBPMAATQEO-UHFFFAOYSA-N 303.315 -0.110 50 20 DBGD N#CSCCCNC(=O)C1CCN(S(N)(=O)=O)CC1 773585363 HYLWLCGWCUGHEC-UHFFFAOYSA-N 306.413 -0.378 50 20 DBGD O=C(CO)NNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 777782658 JBCPCZSINQPPGQ-UHFFFAOYSA-N 312.713 -0.377 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H](CO)C1CC1 778641864 UGIQKSHPUPKISS-VIFPVBQESA-N 310.310 -0.889 50 20 DBGD CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NNC(=O)CO 789739269 KOSOPICDZHFWJQ-UHFFFAOYSA-N 307.310 -0.807 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ncncc1Cl 813530872 SXPILZNZDSPSOL-QMMMGPOBSA-N 301.734 -0.294 50 20 DBGD CN(CC(=O)NCCCSC#N)[C@H]1CCS(=O)(=O)C1 816538597 XUINZZLFJMXGDP-JTQLQIEISA-N 305.425 -0.174 50 20 DBGD C[C@@H](O)CN(C)NC(=O)Cn1cc(Br)ccc1=O 823718806 GFIINJSSSDTANU-MRVPVSSYSA-N 318.171 -0.045 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 823988182 DUQCUUJLCIKSTL-RXMQYKEDSA-N 324.732 -0.117 50 20 DBGD C[C@](O)(C(=O)NNC(=O)CN1CCCC1=O)c1ccc(F)cc1 828344574 RECSAUIQXAWWCU-OAHLLOKOSA-N 323.324 -0.197 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 833438781 LJMGFWTYOXPCBT-RNFRBKRXSA-N 301.299 -0.621 50 20 DBGD CC(C)[C@@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(=O)O 848591311 BDEZOEKJHVIUDX-SKDRFNHKSA-N 321.399 -0.276 50 20 DBGD COC[C@@H](OC)C(=O)OCC(=O)NNC(=O)c1cccs1 850198577 FWXHOEKOOUOBIU-MRVPVSSYSA-N 316.335 -0.286 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1ccc(Cl)cn1 852271673 VDYUQZSLYJQBKB-UHFFFAOYSA-N 307.763 -0.090 50 20 DBGD CCn1nc(C)c(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1 853390800 NEPAYFSTAMQNQU-YPMHNXCESA-N 306.370 -0.080 50 20 DBGD O=C(C[C@@H]1CC(=O)N1)NNC(=O)c1cc(Br)c[nH]1 854292716 KOFZYEGKSYBGSK-LURJTMIESA-N 315.127 -0.183 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1C 855624356 KOUPOONAPSMNAU-JTQLQIEISA-N 320.305 -0.177 50 20 DBGD CCC(C#N)(CC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 858750595 ZQZVRARAQUAZRI-SECBINFHSA-N 316.383 -0.166 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cccc3c2CNC3=O)N1 861112017 IBGMCZOOUWANMI-JTQLQIEISA-N 317.305 -0.639 50 20 DBGD Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863412088 GXQBXHSCYUVOEQ-JTQLQIEISA-N 322.346 -0.545 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H](O)c1ccc(Cl)cc1 863466489 UEFNBZZQRXBXGI-JTQLQIEISA-N 320.754 -0.435 50 20 DBGD COCCOCC(=O)NNC(=O)C#Cc1ccc2c(c1)OCO2 869908479 OFFAGUYAFRZRBE-UHFFFAOYSA-N 320.301 -0.423 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc2c[nH]nc12 918209118 JPAMGUKZNMKGIE-SECBINFHSA-N 322.346 -0.241 50 20 DBGD O=C(NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1CCC1 1116357537 ZLRKXNVHSYHCAL-JTQLQIEISA-N 314.367 -0.046 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1116698950 YUVDXHCVVBHPHO-VIFPVBQESA-N 317.371 -0.301 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NOC[C@@H]1CCOC1 1116749171 BKPXYHLMLAUSHA-NXEZZACHSA-N 305.331 -0.664 50 20 DBGD O=C(c1ccc(N2CCOCC2)nc1)N1CC[C@@H](B(O)O)C1 1118976740 ZSIHKZFTFAOABM-GFCCVEGCSA-N 305.143 -0.393 50 20 DBGD COC(=O)N1CC(C)(NC(=O)c2cc(B(O)O)ccc2F)C1 1120778644 ZMLSXUURWVMPTL-UHFFFAOYSA-N 310.090 -0.924 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccc(C#N)cc1 1123631578 XKVKITJZCVKFAY-FZMZJTMJSA-N 313.361 -0.292 50 20 DBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CC 1255556706 DAXJHNAGZFTWCR-UHFFFAOYSA-N 311.298 -0.907 50 20 DBGD N#CCc1ccccc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 1261834351 HJXORWKXTHNCSG-SNVBAGLBSA-N 322.346 -0.659 50 20 DBGD COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)C(=O)OC 1323452788 ADQLCAZZLDGWIA-NSHDSACASA-N 309.322 -0.253 50 20 DBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1324219184 IATVDOXMJYSUIA-VHSXEESVSA-N 316.383 -0.483 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1c(Cl)nc(N)n1C 1324474412 URZCRMBLYUBANV-YFKPBYRVSA-N 322.778 -0.957 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)Nc2ccc(C#N)cc2)n[nH]1 1325515982 MJRINIFOBQQCIS-UHFFFAOYSA-N 312.289 -0.011 50 20 DBGD Cn1cc(N2CC[C@H](NCc3ccc(B(O)O)cc3)C2)cn1 1330609098 XQOKLWMSEYALHX-AWEZNQCLSA-N 300.171 -0.532 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)C[C@H]1Br 1331205195 PDTHODGWBBMFPF-APOZVJGGSA-N 316.199 -0.151 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1nnnn1C 1343761669 RHWSBDWNVQFIQR-MRVPVSSYSA-N 304.314 -0.761 50 20 DBGD CN1C(=O)COc2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc21 1351729117 MTIIXXIDIMHOTH-JTQLQIEISA-N 304.111 -0.269 50 20 DBGD CCn1nnc(C)c1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549313731 HTQDVHGVQSHNEY-AAEUAGOBSA-N 306.370 -0.080 50 20 DBGD CCc1cccc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 1597601240 UKYDBWFJBPAEPW-UHFFFAOYSA-N 301.324 -0.174 50 20 DBGD CO[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H](C(=O)O)C1 1599122098 LHGHZNWHEXCLSM-NWDGAFQWSA-N 307.111 -0.929 50 20 DBGD Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1601008723 DPZWGBKXDFNBRX-UHFFFAOYSA-N 323.309 -0.752 50 20 DBGD Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)CCO 1605797396 GIHJIKWKPVGWMF-UHFFFAOYSA-N 305.298 -0.290 50 20 DBGD CN1CC[C@H](C(=O)NNc2ccccc2C(=O)O)S1(=O)=O 1606212904 STEBYVBXEBIAMD-SNVBAGLBSA-N 313.335 -0.138 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)oc1C 1609445027 GUWQZLROJSGYCH-UHFFFAOYSA-N 316.281 -0.126 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 42182185 JLWOMFNEWKBTIY-SSDOTTSWSA-N 315.307 -0.211 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)Cn1ccc(=O)[nH]c1=O 66839756 CBWNROXQGFXFIU-UHFFFAOYSA-N 320.280 -0.934 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1 264147777 PMPWOYCRLKIGDN-QMMMGPOBSA-N 300.340 -0.223 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCCN2C(=O)CCC2=O)n1 265052378 TWTBNJPTEACRBT-UHFFFAOYSA-N 306.326 -0.131 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNc2cnccn2)C1=O 265181070 QHAUFYALZJTGBS-ZDUSSCGKSA-N 304.310 -0.360 50 20 DBGD CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268974346 PHLJCMXMBBXTTP-QMMMGPOBSA-N 310.335 -0.608 50 20 DBGD CCN1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 299586431 BEUHOMUIFLGPRA-VIFPVBQESA-N 322.321 -0.975 50 20 DBGD CC(C)C(=O)N1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584938573 BOJCSQGWBWOXKL-UHFFFAOYSA-N 318.182 -0.303 50 20 DBGD CCNC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCCC1 584980075 POFOMHQHNXDAKJ-UHFFFAOYSA-N 304.155 -0.455 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN([C@@H]2CCOC2)CC1 585007124 KAHLOQIPNVMDJC-GFCCVEGCSA-N 322.145 -0.948 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@@H]3COC[C@H]3[C@@H]2C1 585010566 UZKCZWFBXOOYKQ-USZNOCQGSA-N 305.114 -0.530 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=S)N[C@H](C)C1CC1 728449877 OOISSLCFMRSHAT-RQJHMYQMSA-N 308.429 -0.782 50 20 DBGD CNC(=O)NNC(=O)Cc1cccc(NS(C)(=O)=O)c1 730212630 DGWDNGTXCYQLFY-UHFFFAOYSA-N 300.340 -0.439 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=S)NC1CCN(C)CC1 748605052 CJTBQYXXDJAFNI-SNVBAGLBSA-N 318.443 -0.373 50 20 DBGD C=C(C)[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)OCC 755425557 MZRUKAJENOXVTL-MNOVXSKESA-N 318.395 -0.060 50 20 DBGD COc1ccc(C(=O)NNC(=O)C2(NC(N)=O)CC2)cc1OC 767190334 ZDBQWMOYKDZGLE-UHFFFAOYSA-N 322.321 -0.334 50 20 DBGD CC(=O)NCCNC(=O)NNc1ccc(-n2ccnc2)nn1 804858844 JJTULCLXULMIHM-UHFFFAOYSA-N 304.314 -0.576 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(=O)N1CCC[C@H](C)C1 805563709 ZWWPJCLUKVSWGZ-UWVGGRQHSA-N 313.354 -0.266 50 20 DBGD CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NNC(=O)CC1CC1 819114328 GBUKYYOQLUVINS-JTQLQIEISA-N 312.370 -0.660 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 825272886 AEIOMZRPOOQVNG-VIFPVBQESA-N 324.362 -0.754 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827260673 VEJFPBRVKFMBCO-YNFQOJQRSA-N 314.342 -0.802 50 20 DBGD O=C(C[C@@H]1CNCCO1)NNc1nc(-c2ccncc2)no1 828217927 QIHMHCCCAWLVDP-SNVBAGLBSA-N 304.310 -0.047 50 20 DBGD CCNC(=O)N(C)NC(=O)CCn1cnc2c(N)ncnc21 831853554 CSLICVJZWSGCSE-UHFFFAOYSA-N 306.330 -0.509 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 843972417 GWMMNUPCRARBOH-IGJMFERPSA-N 313.379 -0.376 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 843978911 ZDHDLMPWXUCDAP-CABZTGNLSA-N 321.333 -0.263 50 20 DBGD O=C(NNc1ncc(Br)cn1)[C@@H]1CNCCO1 848436285 LZFMPXHDWRXGJK-ZETCQYMHSA-N 302.132 -0.329 50 20 DBGD C[C@H](C(=O)NNC(=O)c1cccc(Cl)n1)S(C)(=O)=O 857326382 WQKNBUNOGIDNJB-ZCFIWIBFSA-N 305.743 -0.071 50 20 DBGD COC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 860445122 MCRLXLFPSKDNLP-SNVBAGLBSA-N 320.305 -0.096 50 20 DBGD O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc(B(O)O)ccc1F 863884256 FEPKHGPFECZEDK-SECBINFHSA-N 316.088 -0.425 50 20 DBGD CC(C)N1CCN(CCC(=O)NNC(=O)c2cc[nH]n2)CC1 912307894 SVPOLLRIEGSBNC-UHFFFAOYSA-N 308.386 -0.413 50 20 DBGD COCCCNC(=O)NNC(=O)CCOC[C@@H]1CCCO1 920862720 YLPBMBNCPAYNCU-NSHDSACASA-N 303.359 -0.061 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CCc3cnn(C)c3C2)nc1O 1116915453 GDZCHIOXHAZEOE-MRVPVSSYSA-N 303.326 -0.133 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 1117676043 OSFUZYJZFQZWHC-UHFFFAOYSA-N 320.309 -0.840 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cnc2[nH]cnc2c1 1253811430 HFTQEXCGBUEWRS-ZETCQYMHSA-N 323.334 -0.846 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCO1 1319726129 CXDRDQIWFZCSLQ-FOGDFJRCSA-N 305.400 -0.065 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)CCO)cc1Cl 1323312612 TYDGQOHQNCVZAO-UHFFFAOYSA-N 305.743 -0.180 50 20 DBGD Cn1ccc(CCNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)n1 1323889469 MYZZPFCAAKAIEK-GFCCVEGCSA-N 315.399 -0.656 50 20 DBGD Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351331680 ZUFVXONHMMGDFH-ZJUUUORDSA-N 320.353 -0.594 50 20 DBGD C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNC(=O)CN3CCCC3=O)CN2C1 1520380381 KLWXZROQFNGWEI-AGIUHOORSA-N 322.409 -0.123 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnnn1C1CCNCC1 1576903476 KKAPQMNCHQIORB-KOLCDFICSA-N 322.369 -0.611 50 20 DBGD NCCn1cc(C(=O)NNC(=O)CCc2ccccc2)nn1 1580320322 ZITXOBPUPOKETH-UHFFFAOYSA-N 302.338 -0.369 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)O[C@H]2CCN(CC(=O)O)C2=O)cn1 1594539090 UGVRWSKAOKGUBZ-FGUAACIASA-N 318.289 -0.444 50 20 DBGD COC(=O)c1sc(C(=O)O)cc1S(=O)(=O)NNC(C)=O 1599018287 FAGQWVVQOIAECR-UHFFFAOYSA-N 322.320 -0.438 50 20 DBGD Cc1oc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C(=O)O 1600851240 IUQKCFQKMKUHGV-SECBINFHSA-N 324.293 -0.605 50 20 DBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1602852883 SLXFVCRHYSQSOI-SFYZADRCSA-N 320.367 -0.685 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)nc1 1605331883 QJVLYJUFQRQFIA-UHFFFAOYSA-N 302.312 -0.318 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)NC2CC2)c1 9889639 SVXQBVQIFSRUHL-UHFFFAOYSA-N 307.306 -0.257 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)NC2CC2)C1=O 64429379 BNYSVODNEDYLLM-UHFFFAOYSA-N 311.342 -0.410 50 20 DBGD CN(CC(=O)NNC(=O)C(=O)NC1CC1)Cc1ccccc1 66042217 YNODEWNYUYDFGA-UHFFFAOYSA-N 304.350 -0.456 50 20 DBGD C[C@@H]1CCNC(=O)[C@H]1NCC(=O)NNC(=O)c1ccccc1 193650330 NDBQWFLMQOSIKQ-MFKMUULPSA-N 304.350 -0.438 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnn(C)n2)C[C@H](C)O1 289059909 LWWYCUNUEOWRDI-UWVGGRQHSA-N 310.358 -0.925 50 20 DBGD O=C(NC1CC1)N[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584977600 YREHLPQFGVFJGG-ZDUSSCGKSA-N 317.154 -0.958 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)cc1F)C1(S(C)(=O)=O)CC1 585040884 RBYACDUIFLLCQP-SECBINFHSA-N 315.175 -0.439 50 20 DBGD O=C1CN(CC(=O)NNC(=O)c2cccc(Cl)c2)CCCN1 726790351 DMORDYSDPQFMNR-UHFFFAOYSA-N 324.768 -0.077 50 20 DBGD CC(C)C(=O)NC1CCN(CC(=O)NNC(=O)C2CC2)CC1 733194401 OWNUKCBENBQPOB-UHFFFAOYSA-N 310.398 -0.220 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccc(-n2cccn2)n1 736553173 AZARMVCEVYHBPG-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD C[C@H](Cc1ccncc1)NC(=O)NNC(=O)C(=O)N1CCCC1 749621347 SFLZBMAIBUOTAV-LLVKDONJSA-N 319.365 -0.035 50 20 DBGD COC(=O)C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 752338571 RUKQGXIKDRRDQM-SNVBAGLBSA-N 315.370 -0.556 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccnc(C(=O)N(C)C)c1 756645430 GOXHHFIEXNUYCP-UHFFFAOYSA-N 309.326 -0.027 50 20 DBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)C(=O)Nc1ccccn1 763007347 DEDNCCXNEJYZFM-UHFFFAOYSA-N 322.321 -0.243 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 763266264 PXFDXXUKLXTLQU-LLVKDONJSA-N 310.358 -0.224 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)SCCO1 798152978 HJXMJVSZOMLWTB-MRVPVSSYSA-N 320.392 -0.437 50 20 DBGD CSCC(C)(C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 799863627 HCGPLUDPSXWJCI-MRVPVSSYSA-N 308.425 -0.042 50 20 DBGD CSCC(C)(C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 800690809 OIFBFBRZUBDLRB-ZETCQYMHSA-N 311.429 -0.539 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](CC(N)=O)C2)cc1 808774812 CANXOICRIMQVQF-GFCCVEGCSA-N 318.377 -0.047 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CN1CCOC1=O 823010240 KGUSGPAAIWXPGF-UHFFFAOYSA-N 307.306 -0.163 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)CO1 825847921 QUMGPCYXZBFPAA-RKDXNWHRSA-N 310.310 -0.483 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCc1cnn(C)n1 826863427 VQQQQNCCSHHZBB-ONGXEEELSA-N 310.358 -0.497 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCCCO1 833243420 SNLRYOHRJFCNKM-SECBINFHSA-N 309.282 -0.098 50 20 DBGD CCOC[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 859772079 NLDVHIPAFWRPTK-NSHDSACASA-N 301.387 -0.083 50 20 DBGD COC(=O)[C@H](C)CN(C(=O)c1cccc(B(O)O)c1)C1CC1 863871956 HUNIEXDTQSYLDN-SNVBAGLBSA-N 305.139 -0.220 50 20 DBGD COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(B(O)O)ccc1F 863877218 BAZQEMLGVWYEIC-SECBINFHSA-N 319.044 -0.568 50 20 DBGD CN1C(=O)C[C@H](C(=O)NNC(=O)CO)[C@H]1c1cccc(F)c1 879395501 MOAOSUVXVIJWGZ-GXFFZTMASA-N 309.297 -0.515 50 20 DBGD O=C(CCn1ccccc1=O)NNC(=O)CN1CCCC1=O 920435183 FHPBBFPCTMVTIU-UHFFFAOYSA-N 306.322 -0.992 50 20 DBGD O=C(NCCOCCF)NNC(=O)C(=O)Nc1ccccn1 1118571736 JJSLFBYWGJMWQZ-UHFFFAOYSA-N 313.289 -0.663 50 20 DBGD CN(C)C(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 1253646865 NPPDAROKVXIIFS-UHFFFAOYSA-N 304.328 -0.554 50 20 DBGD COc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)CCO 1254882018 FVBNOCBNVAZCEU-UHFFFAOYSA-N 324.337 -0.068 50 20 DBGD O=C(NNc1nc(O)c2ccccc2n1)[C@H]1CCS(=O)(=O)N1 1261526697 RRKFDDADZBXNLE-SECBINFHSA-N 323.334 -0.530 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccnn2C)cc1 1320231041 LHRBGBYIPGCERW-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)C1CCC1 1320358395 SZMXLVQKZKCSTC-UHFFFAOYSA-N 306.326 -0.571 50 20 DBGD N#CC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC1 1321947951 NFPGMNAFPUUYCD-SECBINFHSA-N 314.367 -0.412 50 20 DBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)N(C)C 1324683391 AWDNUCXCGKWZDD-UHFFFAOYSA-N 316.339 -0.741 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCC(=O)c2cccn21 1330169430 YQBHMFBBNHHWLG-SECBINFHSA-N 313.335 -0.802 50 20 DBGD CN(C)N(C(=O)CO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1330178463 WQFYAPFZCQEYCS-GHMZBOCLSA-N 306.384 -0.716 50 20 DBGD CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)C1 1335369433 ZVZQBMBWPOENFT-VHSXEESVSA-N 306.384 -0.226 50 20 DBGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(C)=O 1337568606 CKKCNSOUNTYGDS-UHFFFAOYSA-N 315.351 -0.339 50 20 DBGD Cn1ncc2c1C[C@@H](C(=O)NNC(=O)CN1CCCC1=O)CC2 1339722238 KQJNVPCSMFUYCZ-JTQLQIEISA-N 319.365 -0.705 50 20 DBGD CC(C)(CS(=O)(=O)NNC(=O)[C@@H]1CCCCO1)C(=O)O 1590820776 WHAFZGQPPIMVGI-QMMMGPOBSA-N 308.356 -0.383 50 20 DBGD COc1cc(-c2nn[nH]n2)ccc1C(=O)NN(C)C[C@H](C)O 1605160873 KVVUCFOZNRIVCO-QMMMGPOBSA-N 306.326 -0.167 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCCS2)O[C@H]1C(=O)O 1607442866 XHCAZNVSIHNMIH-FNCVBFRFSA-N 302.352 -0.092 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)cc1 274027147 BSKHRXHYWXTYLS-UHFFFAOYSA-N 307.354 -0.600 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(F)n1 274401432 YZPWWUHJRKIRQC-LURJTMIESA-N 319.318 -0.689 50 20 DBGD COC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 276917393 RJMCKIOEBCKJMR-UHFFFAOYSA-N 317.323 -0.131 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@@H]1COC[C@H]1O 285765522 ZSAZANJFORVOBY-ZIAGYGMSSA-N 321.377 -0.624 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1=CCCCCC1 290234240 LEMPVJUFTAMCGV-VIFPVBQESA-N 303.384 -0.038 50 20 DBGD NC(=O)C1=NO[C@H](CNC(=O)NNc2cccc([N+](=O)[O-])c2)C1 297857611 FKTREXUOIDJKLI-VIFPVBQESA-N 322.281 -0.149 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)NC(=O)C1CCCC1 298694702 DKQHAFDQUBNJRR-SECBINFHSA-N 312.370 -0.647 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCNC(=O)OC 496456262 GPDOHURCGHVMBF-UHFFFAOYSA-N 305.331 -0.331 50 20 DBGD NC(=O)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C1CCCCC1 584956608 DVFWNMVHIXZZSA-CQSZACIVSA-N 318.182 -0.080 50 20 DBGD CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584963359 SDHJJWFKBKUOBL-RDDDGLTNSA-N 301.148 -0.652 50 20 DBGD O=C(NC1(c2ncon2)CCOCC1)c1ccc(B(O)O)cc1 584974288 TVGJPQGFJDBTBB-UHFFFAOYSA-N 317.110 -0.815 50 20 DBGD CN(CCCNS(=O)(=O)CBr)S(C)(=O)=O 692477549 OSPCRIUQTLDDFS-UHFFFAOYSA-N 323.234 -0.460 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1 729275938 SMGJSTBSKUNKOU-VIFPVBQESA-N 315.351 -0.850 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H](C)N(C)C1CC1 748628091 RRTCBURIDKUCBB-QWRGUYRKSA-N 316.402 -0.149 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1ccc(C(N)=O)cc1 753483117 RRHUFXWUQVVSTC-SECBINFHSA-N 321.333 -0.183 50 20 DBGD Cc1c(NC(=O)NNC(=O)CO)c(=O)n(-c2ccccc2)n1C 755320865 PVGXGMQWKYIQTE-UHFFFAOYSA-N 319.321 -0.371 50 20 DBGD COc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)C(=O)NC(C)C 755336111 MBIIHXUZSZMSQU-UHFFFAOYSA-N 324.293 -0.111 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)n1 770434308 FTGIKPPAKBNHPA-VHSXEESVSA-N 310.358 -0.170 50 20 DBGD CC(C)c1nccnc1NNC(=O)CN1CCN(C)C(=O)C1 772829616 AQTZZYDAYIJWTK-UHFFFAOYSA-N 306.370 -0.183 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 775248284 VGSRFYIFSARONJ-UHFFFAOYSA-N 309.347 -0.149 50 20 DBGD Cc1cc(NC(=O)NNC(=O)CN(C)C)ccc1-n1cnnn1 775481001 IGHFKYMJXRAVBW-UHFFFAOYSA-N 318.341 -0.315 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(F)cn1 784683914 LTZGKTZZKRQZTH-UHFFFAOYSA-N 317.280 -0.193 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 786826751 JGOSCZLMYIXQOK-NXEZZACHSA-N 300.359 -0.355 50 20 DBGD CN(C)c1cc(NC(=O)NNC(=O)c2cnccn2)ncn1 810219034 ZAMBOXWNSOWOCD-UHFFFAOYSA-N 302.298 -0.201 50 20 DBGD O=C(CCCc1ccccc1)NN=C1C(=O)NC(=O)NC1=O 814220728 HADZFZLSLIMXMU-UHFFFAOYSA-N 302.290 -0.153 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CN1CCN(c2ccccn2)CC1 823952822 UQYPRWIKXGBDBK-ZDUSSCGKSA-N 307.398 -0.453 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NN(C)[C@H](C)CO 823971523 WADWYACEBUQAGY-NEPJUHHUSA-N 321.443 -0.076 50 20 DBGD O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CC(=O)NC(=O)N1 825744918 SLMVDNFEIYKZNP-NSHDSACASA-N 318.333 -0.245 50 20 DBGD COCCCNC(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826156738 ROHLKLSWRUKJHG-UHFFFAOYSA-N 308.302 -0.825 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 827299942 OTWNUECIQDTJEJ-CYZMBNFOSA-N 321.381 -0.176 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CCCCC1)c1ccnnc1 846267477 RUSJETPCCGQRAH-UHFFFAOYSA-N 316.325 -0.416 50 20 DBGD COCCn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cn1 853389279 YTLHCEBYMFMPSU-KGLIPLIRSA-N 321.381 -0.157 50 20 DBGD CC(C)(C)c1nnc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862459690 XDOVJOXIIQXSLO-LURJTMIESA-N 311.367 -0.125 50 20 DBGD CCC1CCN(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 863412952 OPXRWJOUBZNYGR-SNVBAGLBSA-N 318.399 -0.747 50 20 DBGD COCCN(C)NC(=O)[C@H]1CC[C@H]1C(=O)NN(C)CCOC 868242885 YERXQSODDVSHBJ-TXEJJXNPSA-N 316.402 -0.769 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)c1ccccc1F 872381906 CWKFFSJHLOQKTR-UHFFFAOYSA-N 306.315 -0.202 50 20 DBGD O=C(NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C1CCC1 1116357538 ZLRKXNVHSYHCAL-SNVBAGLBSA-N 314.367 -0.046 50 20 DBGD COC(=O)c1ccc(NNC(=O)c2ccc(=O)n(C)n2)nc1 1116394304 SEOVUFSOXNPIOL-UHFFFAOYSA-N 303.278 -0.281 50 20 DBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)Cc1cccnc1 1116432914 YGGAVOPTNNKGSL-UHFFFAOYSA-N 304.266 -0.273 50 20 DBGD CO[C@@]1(C(=O)NNc2ccc(F)cn2)CCS(=O)(=O)C1 1119669424 MYXUKJRQGUSPTB-NSHDSACASA-N 303.315 -0.133 50 20 DBGD CCC(=O)N1CC[C@@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 1253364031 VDBFPTIAICYIFK-MRVPVSSYSA-N 306.326 -0.723 50 20 DBGD CSCCNC(=S)NNC(=O)c1cc(=O)n(C)cn1 1261908877 CAKSZXMPGBQSFY-UHFFFAOYSA-N 301.397 -0.748 50 20 DBGD O=C(NNC(=O)c1c[nH]c(Br)c1)C(=O)NC1CC1 1318497444 AXZMKSYKLGDNQD-UHFFFAOYSA-N 315.127 -0.183 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318516894 NGKJRNPXFRRONL-OUKQBFOZSA-N 323.353 -0.111 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nc2ncccn2n1 1326297837 DHLZUEMWKQOJME-RKDXNWHRSA-N 319.325 -0.620 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc2cccnn12 1326763168 VUBPTHHDRBPYDZ-UHFFFAOYSA-N 318.337 -0.205 50 20 DBGD Cc1nc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1329871216 NBJOUPYTLPJVQY-VIFPVBQESA-N 311.367 -0.397 50 20 DBGD CC(C)(C)OC(=O)CCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1336670448 XLKDRBOKJCYMLL-SECBINFHSA-N 313.354 -0.076 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cccc[n+]1[O-] 1338211155 KTXRXUXMGLQGNN-UHFFFAOYSA-N 320.330 -0.428 50 20 DBGD C=CC(=O)NCc1ccc(C(=O)NNC(=O)CCCN)cc1 1574871281 TWBNWHPVWNDWAT-UHFFFAOYSA-N 304.350 -0.011 50 20 DBGD CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)[C@@H]1CCN1 1574998453 CQNHQBLYEIKJDH-AAEUAGOBSA-N 302.334 -0.527 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@]23CNC[C@@H]2CCO3)cc1 1579193639 AQJQFEFLPJMQPG-XHDPSFHLSA-N 305.334 -0.165 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)[C@H]1CCN1 1580733124 MKAKYAGAYRKOHS-QWHCGFSZSA-N 316.361 -0.456 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1591764999 JKRLUKMFVQQHMM-XZLDQRQTSA-N 302.308 -0.859 50 20 DBGD Nc1ncn(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1 1592764550 QCFSRDJYWPGKQE-UHFFFAOYSA-N 300.286 -0.816 50 20 DBGD O=C(Cn1cc(C(=O)O)cn1)NNC(=O)N=c1cc[nH]cc1 1601379366 LUQZHUYBHFFOPL-UHFFFAOYSA-N 304.266 -0.749 50 20 DBGD O=C(NN=Cc1ccn([C@H]2C[C@H](C(=O)O)C2)n1)C(=O)NC1CC1 1776027200 IJNZNVLNVBSRGG-JLIMDTESSA-N 319.321 -0.353 50 20 DBGD C#CCNC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 79264706 PZONONBZUUWUGZ-UHFFFAOYSA-N 313.317 -0.006 50 20 DBGD Cn1c(N)c(C(=O)/C(C#N)=C\c2cccnc2)c(=O)n(C)c1=O 171844647 BNYJQIWOJJUZOF-POHAHGRESA-N 311.301 -0.149 50 20 DBGD CNC(=O)NNS(=O)(=O)c1c(C)csc1C(=O)OC 275957944 AWRPXVTUYFLMAI-UHFFFAOYSA-N 307.353 -0.035 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccnc(OC)n1 282553439 CVJYFOCXROYSMU-MRVPVSSYSA-N 313.314 -0.311 50 20 DBGD O=C(NNc1cnccn1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 365150822 OBEWIRFQHKUWNJ-RQJHMYQMSA-N 303.244 0.377 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)N(C)C 497027568 SOYCAJSVDJSPGP-VIFPVBQESA-N 317.390 -0.208 50 20 DBGD COC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCCO1 584983922 RMAGKXQIFZFRJA-STQMWFEESA-N 311.118 -0.571 50 20 DBGD CCNC(=O)c1cccc(CNCc2ccc(B(O)O)o2)c1 585016875 CIYXCMYMABYSLS-UHFFFAOYSA-N 302.139 -0.001 50 20 DBGD CN(Cc1ccccc1)C(=O)CNCc1ccc(B(O)O)o1 585017158 NTXTZJONIQSCJJ-UHFFFAOYSA-N 302.139 -0.292 50 20 DBGD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCB(O)O 585062148 QTDUJZFTBZGVCV-UHFFFAOYSA-N 303.083 -0.800 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CCCN1C(=O)CNC1=O 726540904 OBTSHSPQYACFSR-UHFFFAOYSA-N 307.310 -0.882 50 20 DBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)N1CCOCC1 745986507 XJACBPZZURHIAI-UHFFFAOYSA-N 321.399 -0.480 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 751145036 HQVDIVHESPRNDB-UHFFFAOYSA-N 318.267 -0.585 50 20 DBGD COCCCNC(=O)NNC(=O)CCOC1CCOCC1 753294305 CBPRONGYRLPYPH-UHFFFAOYSA-N 303.359 -0.061 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1ccc(O)cc1 758046378 RXDNKAXCJDRILH-QMMMGPOBSA-N 315.351 -0.980 50 20 DBGD O=C(CO)NNC(=O)CCCNC(=O)OCc1ccccc1 777781503 WNMAZWZBEXADJB-UHFFFAOYSA-N 309.322 -0.167 50 20 DBGD COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)NNC(=O)C1CC1 778238835 QFYURNHDUHDECE-GHMZBOCLSA-N 313.354 -0.804 50 20 DBGD COCCN(C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 837621935 CHJIIKJXKMWSCC-SNVBAGLBSA-N 312.370 -0.151 50 20 DBGD N#Cc1ccc(C(=O)NNS(=O)(=O)N2CCCOCC2)cc1 844651446 IKAGGPBMRDJXDO-UHFFFAOYSA-N 324.362 -0.240 50 20 DBGD COCC(COC)NC(=O)NNC(=O)c1cccc(F)n1 852371130 OOFVOKBQUIQTHK-UHFFFAOYSA-N 300.290 -0.174 50 20 DBGD C[C@@H](C(=O)NNC(=O)OCC(F)(F)F)N1CCN(C)CC1 856023688 SBJVNCHZLPAVKG-QMMMGPOBSA-N 312.292 -0.058 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCC[C@H]2CCCCO2)N1 858362165 QAQZTYMXUWTHDO-MNOVXSKESA-N 312.370 -0.055 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccnc(N3CCCC3)n2)N1 862455554 OXEIFFJRKCTNFY-SECBINFHSA-N 318.337 -0.884 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N(C)CC(F)(F)F 862459151 NSQVYYUNWKGYQT-RQJHMYQMSA-N 310.276 -0.705 50 20 DBGD C[C@H](Oc1ccccn1)C(=O)NNC(=O)CS(C)(=O)=O 863466099 PNAULQNOBIBHIJ-QMMMGPOBSA-N 301.324 -0.959 50 20 DBGD COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(B(O)O)cc1)CC2 863872098 ABPVQRGTAHGJHZ-CYBMUJFWSA-N 317.150 -0.218 50 20 DBGD COCCCNC(=O)NNC(=O)C(C)(C)CN1CCOCC1 874194825 NSUJMRIDINMIKP-UHFFFAOYSA-N 316.402 -0.288 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)c1 915691064 IRQNNMQOBMXSLR-SECBINFHSA-N 321.333 -0.009 50 20 DBGD COc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1OC 916660933 OWARVGCIXJVKPE-UHFFFAOYSA-N 309.322 -0.011 50 20 DBGD C=CCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 921166152 RLAXRQXFRYXWJE-UWVGGRQHSA-N 319.383 -0.515 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 1116395813 QZZYBGOKCKHGQJ-SECBINFHSA-N 313.335 -0.254 50 20 DBGD CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)c1cn[nH]c1 1118803972 UGMVWLOIGVMEIM-FQEVSTJZSA-N 301.372 -0.099 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1n[nH]cc1I 1119643816 GJOVYJDTBMAKEJ-YFKPBYRVSA-N 324.122 -0.028 50 20 DBGD Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)C(=O)NC1CC1 1323644552 KPXIULJXEMYGLI-UHFFFAOYSA-N 307.281 -0.257 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 1325519122 DOAQMFYMEMFKFY-UHFFFAOYSA-N 306.200 -0.821 50 20 DBGD Cc1ncsc1CN(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328718474 LQCLWDRMIQYSPF-QMMMGPOBSA-N 311.367 -0.097 50 20 DBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1ccnc1 1329597171 OKPCQNJVWIBNAO-VHSXEESVSA-N 314.367 -0.584 50 20 DBGD COc1ccc(C(=O)NNC(=O)NCc2nnn(C)n2)cc1 1344002081 IWCFZADXQQYSJI-UHFFFAOYSA-N 305.298 -0.637 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNCC1CC1 1575214830 HNPNPBBVKJQGJD-UHFFFAOYSA-N 300.359 -0.342 50 20 DBGD O=C(C[C@H]1CCNC1)NNc1nccc(N2CCOCC2)n1 1580566448 UGRYBKQXEDHZMB-LLVKDONJSA-N 306.370 -0.244 50 20 DBGD O=C(NNC(=O)[C@@H](O)C1CC1)c1cccc(-c2nn[nH]n2)c1 1593154676 BHENEUTVLOTUPS-JTQLQIEISA-N 302.294 -0.601 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1 1609181743 VYBJEKHYKTWAMQ-UHFFFAOYSA-N 317.309 -0.329 50 20 DBGD O=C(COC(=O)C1=COCCO1)NNC(=O)c1cccs1 7655212 LWZCCVFZAQQRGN-UHFFFAOYSA-N 312.303 -0.060 50 20 DBGD COc1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1OC 8392155 OLMYRKHQCWVQHY-UHFFFAOYSA-N 321.333 -0.328 50 20 DBGD Cn1nc(C(=O)NNC(=O)CNc2ccccc2)ccc1=O 73302666 WORJMCLYRAMKQQ-UHFFFAOYSA-N 301.306 -0.347 50 20 DBGD COc1ccc(NNC(=O)NCCNS(C)(=O)=O)nc1 275962837 MNLGRKRLPOTDEV-UHFFFAOYSA-N 303.344 -0.735 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cnnn1C 282240569 HVUFMOAUVGGQKO-ZETCQYMHSA-N 312.330 -0.511 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@]2(O)CCSC2)cc1 282641313 GOYCVEPMLKAFLK-CQSZACIVSA-N 323.374 -0.051 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)N[C@H](C)C(F)(F)F 288734184 FVIHVTWDKIAGJF-RFZPGFLSSA-N 320.293 -0.795 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H]1C(C)[C@H]1C(=O)NN(C)C(=O)OC 296177082 LHCHOVCWHFITHE-HTQZYQBOSA-N 316.314 -0.673 50 20 DBGD O=C(CSc1nnnn1C1CC1)NNC(=O)c1ccc[nH]1 298164200 OPTWPCQELJNUHD-UHFFFAOYSA-N 307.339 -0.111 50 20 DBGD CN(C)C(=O)NNC(=O)CCNS(=O)(=O)c1cccs1 299394750 SPNUDCRAONCDBN-UHFFFAOYSA-N 320.396 -0.281 50 20 DBGD CN(CC(=O)NNC(=O)N1CCOCC1)C(=O)OC(C)(C)C 491263509 ABHZKTZWIGPZHQ-UHFFFAOYSA-N 316.358 -0.074 50 20 DBGD NNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 492862593 GZUVAFYTGPHTSF-ZCRIDZFUSA-N 302.334 -0.220 50 20 DBGD CC(C)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584937850 DBYJRDLWOCUIOS-NSHDSACASA-N 308.162 -0.034 50 20 DBGD C[C@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N1CCCC[C@@H]1C 584944507 BDJROUWAKUYEHQ-RYUDHWBXSA-N 318.182 -0.114 50 20 DBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584968101 HQRPFDJXFKORFG-JOYOIKCWSA-N 308.118 -0.850 50 20 DBGD CCc1nc([C@@H](C)NC(=O)c2cc(B(O)O)ccc2F)n[nH]1 584969867 YTDYCKSTIJMQFL-SSDOTTSWSA-N 306.106 -0.323 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](C(F)(F)F)[C@@H]1CO 584989954 LUTQJBUCHJCSOX-MNOVXSKESA-N 317.072 -0.248 50 20 DBGD CCNC(=O)CCCc1nc(-c2ccc(B(O)O)cc2)no1 585050853 NHXRGFWGAKZPSS-UHFFFAOYSA-N 303.127 -0.125 50 20 DBGD O=C1CCc2cc(Cl)c(S(=O)(=O)NCB(O)O)cc2N1 585054469 LWGBKSZNYLNCSX-UHFFFAOYSA-N 318.547 -0.485 50 20 DBGD COc1cc(Br)cc(S(=O)(=O)NCB(O)O)c1 585059720 YCMRVLBBNWJAPW-UHFFFAOYSA-N 323.961 -0.252 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)CC(F)(F)F 731758349 ACCNKOZYLXBUAM-UHFFFAOYSA-N 320.293 -0.792 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 732264967 KQFGTYRWPBEAIY-NSHDSACASA-N 307.306 -0.257 50 20 DBGD NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)NC2CC2)c1 733369804 WOTAKCQQURBGBO-UHFFFAOYSA-N 316.314 -0.421 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN([C@@H]2CCC[C@H]2O)CC1 734487614 XIAIDZRGNFOJHF-YNEHKIRRSA-N 312.414 -0.537 50 20 DBGD Cc1ccc(NNC(=O)NCCOCCS(C)(=O)=O)nn1 743639409 YVQVIQIRNXRPSW-UHFFFAOYSA-N 317.371 -0.528 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C12CCC(CC1)C2 758042763 ARQYKRDYOQSGTH-QTZUAFFRSA-N 303.384 -0.348 50 20 DBGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(C)=O)c1 763516111 YDKVSZBJQOKUOG-UHFFFAOYSA-N 317.309 -0.534 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)cn1 769532300 AURUMSFYMQNPFX-UHFFFAOYSA-N 321.318 -0.801 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)C(C)(C)C(N)=O)c1 769863754 IBIPDCYAFKAZAU-UHFFFAOYSA-N 308.338 -0.234 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)Cc2ccncc2)nn1 772843876 FAALCLPYZIBSNZ-UHFFFAOYSA-N 316.321 -0.071 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)NCC1CC1 775276179 QXOPBTDWOHIQKK-UHFFFAOYSA-N 301.372 -0.061 50 20 DBGD C[C@@H](NC(=O)CCc1ccccc1)C(=O)NNC(=O)CN(C)C 799834485 OMNSXZXJTNLRDA-GFCCVEGCSA-N 320.393 -0.167 50 20 DBGD Cc1cc(=O)cc(C)n1CCCC(=O)NNC(=O)CN(C)C 810333556 FMHVFNDRYZGYNW-UHFFFAOYSA-N 308.382 -0.046 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1csnn1 814814350 IABGEUOOMJYFBO-ZETCQYMHSA-N 303.369 -0.252 50 20 DBGD CNC(=O)NNC(=O)c1cnn(C)c1I 815100865 KHJVFJXFSCXOJD-UHFFFAOYSA-N 323.094 -0.402 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)Cn1cnc(-c2nn[nH]n2)n1 819940258 UXGLKPKPHQPRNT-UHFFFAOYSA-N 309.290 -0.986 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NN=c2cc[nH]cc2)n1 824448827 MPOOYYGXZYWZRD-UHFFFAOYSA-N 305.298 -0.193 50 20 DBGD O=C(C[C@H]1CNCCO1)NNc1nc(-c2cccnc2)no1 831890689 RWRLVCJFZZJHGN-JTQLQIEISA-N 304.310 -0.047 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)[C@@H]1CCCCO1 836221037 HGMYKYLTANRMLI-NEPJUHHUSA-N 314.386 -0.393 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 839461152 LIVSEEVBXFQPKX-XLDPMVHQSA-N 307.262 -0.361 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843979609 PHOOWTWXDHGCBV-KOLCDFICSA-N 309.322 -0.565 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCNC1=O 854292844 KAHCYEIXURIBPZ-SECBINFHSA-N 301.306 -0.460 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CCCN1C=O 854388690 SNMQSOAEJJXLNH-SNVBAGLBSA-N 301.343 -0.456 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccc(Cn2cncn2)c1 861205985 RYWFYSZGHSWTSM-UHFFFAOYSA-N 303.322 -0.142 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)NC1 919821895 DZUIFLAZSLRXQT-NSHDSACASA-N 305.334 -0.089 50 20 DBGD C[C@H]1C[C@@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1116453789 WNVCRVZAOQSYNP-QWRGUYRKSA-N 312.370 -0.246 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1ccnc(N(C)C)n1 1118187291 NXODPJFVNNRUDD-ONGXEEELSA-N 322.369 -0.202 50 20 DBGD CNC(=O)NNC(=O)c1ccc(=O)n(-c2ccccc2F)n1 1319737004 NRQAKZVJEMPMCO-UHFFFAOYSA-N 305.269 -0.055 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 1320846036 GQNUVWQLYJPXGS-UHFFFAOYSA-N 323.305 -0.804 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1CCC(O)CC1 1321017517 LJXTTXZJDSQGFO-UHFFFAOYSA-N 309.322 -0.292 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCO[C@@H]1CCOC1 1326007582 WZLNYCDPYIOVDO-QJPTWQEYSA-N 315.370 -0.063 50 20 DBGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)N(C)C)c1 1326709660 OYJRIFKEDGIAGY-UHFFFAOYSA-N 302.312 -0.667 50 20 DBGD O=C(NCCN1CCOCC1)NNC(=O)C1CCOCC1 1331263722 ZNBQXZXLYCOMJI-UHFFFAOYSA-N 300.359 -0.924 50 20 DBGD CCOC1CC(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 1338891840 XQLXHKXCFJJIIP-HSOILSAZSA-N 318.395 -0.226 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccn(C)c(=O)c1 1339414600 NUCKDUNGTJZEMJ-UHFFFAOYSA-N 308.338 -0.549 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1ccsc1 1346443391 BBQSVWJHQMCQRL-CMPLNLGQSA-N 308.407 -0.174 50 20 DBGD C=CC(=O)N(C)CC(=O)NNC(=O)c1n[nH]c2c1CCCC2 1348098041 CTTCJOOOTASTKR-UHFFFAOYSA-N 305.338 -0.306 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cn3ccccc3n2)N1 1352272841 CMXJRSVYZZGTGZ-SNVBAGLBSA-N 316.321 -0.557 50 20 DBGD Cc1nn(C)c(N)c1C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549319651 INJFONZLJMXVGC-CMPLNLGQSA-N 306.370 -0.376 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCC(C)(C)C(=O)O)ccc1=O 1594530442 UEXADNSRLULYPR-UHFFFAOYSA-N 324.337 -0.170 50 20 DBGD CCN(CC(=O)O)CC(=O)NNC(=O)Cc1nc(C)cs1 1596222440 PKNTZGNLFPILNI-UHFFFAOYSA-N 314.367 -0.452 50 20 DBGD COc1ccc(C(=O)NNC(=O)NCCOCC(=O)O)cc1 1599484217 SJHSACYQMMHTEV-UHFFFAOYSA-N 311.294 -0.260 50 20 DBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1602852882 SLXFVCRHYSQSOI-JGVFFNPUSA-N 320.367 -0.685 50 20 DBGD CC(C)C(=O)NNC(=O)CNC1(CC(=O)O)CCOCC1 1602959335 PPUHKGZIVQVRJC-UHFFFAOYSA-N 301.343 -0.597 50 20 DBGD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCCl 1606056919 GEWIOYZBKZNGQP-ZETCQYMHSA-N 319.788 -0.871 50 20 DBGD O=C(NCc1cccc(N2CCCC2=O)c1)NNC(=O)C(=O)O 1608470830 XCIGVHLGKSOPDR-UHFFFAOYSA-N 320.305 -0.272 50 20 DBGD CC(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841348497 UUNRBMIWVNIBSS-GHMZBOCLSA-N 318.801 -0.194 50 20 DBGD O=C([C@H](F)Cl)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843083442 ARVXTSUGSXQDBL-VIFPVBQESA-N 316.724 -0.589 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 265020138 IICFBFUWGISUPA-JTQLQIEISA-N 322.369 -0.662 50 20 DBGD O=C1CN(c2ccnc(C(=O)NNC(=O)C3CCC3)c2)CCN1 276495274 IQCOEMFZQHMITE-UHFFFAOYSA-N 317.349 -0.421 50 20 DBGD N#Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCCO2)cc1 292063905 CTLMLQJNKFHZCY-LBPRGKRZSA-N 316.317 -0.386 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C12CCC2 363292777 OLECGGRGOXGIEN-GHMZBOCLSA-N 324.381 -0.057 50 20 DBGD COC(=O)NCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 494970954 LCKWQRXWTDENEI-UHFFFAOYSA-N 318.330 -0.595 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 495367032 MHJIHBKXSJYBEA-UHFFFAOYSA-N 312.238 -0.071 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)C(C)(C)O 497194253 OSOWBWLGGGPJNW-MRVPVSSYSA-N 301.343 -0.086 50 20 DBGD CCCCn1nnnc1CNC(=O)c1cccc(B(O)O)c1 584948006 HGSBQAJZVXYQLC-UHFFFAOYSA-N 303.131 -0.917 50 20 DBGD COCC[C@](C)(O)C(C)(C)CNC(=O)c1ccc(B(O)O)cc1 585007499 NSGUWRMWJXAAJY-INIZCTEOSA-N 323.198 -0.090 50 20 DBGD O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CC[C@@H](B(O)O)C1 585060464 DOYIJNLFCUNCSY-SSDOTTSWSA-N 311.128 -0.494 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCCCCl 696857932 XZICVPJQGUZYGJ-DTWKUNHWSA-N 319.832 -0.263 50 20 DBGD COc1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)cn2)n1 737158229 BIQIAQABVNTGCG-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 737974666 QSZOSTPMZSZZSP-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD O=C(CC[C@H]1CCOC1)NNC(=O)CNC(=O)c1cccnc1 764343531 VYICSABGSBXKBW-NSHDSACASA-N 320.349 -0.225 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(F)n1 764689092 XEXSHBOMTXQVID-UHFFFAOYSA-N 317.280 -0.193 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCC(=O)N1CCOCC1 776336430 HPJPSERPJQNJTG-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ccnc(F)c2)C1=O 781369056 XSZTUTQMGPKVQL-UHFFFAOYSA-N 321.268 -0.359 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2cccc3c2OCO3)cn1 800835998 BCGWOEKHPCIHHX-UHFFFAOYSA-N 324.318 -0.228 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)COc1ccccc1O 806818273 SKTISDRDYYZDJN-SECBINFHSA-N 307.306 -0.461 50 20 DBGD N#Cc1cc(O)cc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 809643169 OPQOYNADPIFKEQ-UHFFFAOYSA-N 302.290 -0.353 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O 844146118 JEUDYSJLKXIEHI-XPUUQOCRSA-N 310.266 -0.119 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCCC(=O)N1 854284894 BSNLHZUAUOCJPS-SECBINFHSA-N 302.400 -0.471 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1nc2ncccn2n1 854387791 KMZRFPDKJDDYFO-UHFFFAOYSA-N 322.325 -0.326 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 858571668 JCPIXARYMQAGST-VGMNWLOBSA-N 302.331 -0.850 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCS1 858697267 QJLJPIYOLYPLBU-MRVPVSSYSA-N 300.384 -0.167 50 20 DBGD COc1ccc(C)cc1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450541 WCLLNBRMBDUAGC-NSHDSACASA-N 305.334 -0.028 50 20 DBGD COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cccc(B(O)O)c1 863879719 YTESLKMDFRWDOI-ZWNOBZJWSA-N 305.139 -0.220 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)cc1 919960737 FLIGDMLVXOJAMP-UHFFFAOYSA-N 303.296 -0.728 50 20 DBGD CC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 920430431 OFWWFZQVBGTSOQ-UHFFFAOYSA-N 302.290 -0.575 50 20 DBGD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNC(=O)C1CC1 1116618911 KETWCTSGLCFILI-UHFFFAOYSA-N 304.306 -0.410 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)n1 1118189383 KAHRBGLKCJZQAX-ZJUUUORDSA-N 321.337 -0.210 50 20 DBGD Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884393 HCWVLYZTIIQEIP-VIFPVBQESA-N 308.338 -0.005 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1nnnn1C1CC1 1261861132 PCCRYJPXAUGBSD-SSDOTTSWSA-N 319.329 -0.553 50 20 DBGD CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(C)c1 1320349019 NXAKPRRFGFHJJP-UHFFFAOYSA-N 318.333 -0.149 50 20 DBGD Cc1c(C(=O)NNC(=O)CN(C)C)nnn1Cc1ccncc1 1324767808 NLGJVRDAHJLLRX-UHFFFAOYSA-N 317.353 -0.648 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1COCCN1 1573468484 MXKWFXGEKXADMM-VIFPVBQESA-N 316.358 -0.963 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1C[C@]12CCNC2 1574300399 LISKLOVFHVHRJT-OTYXRUKQSA-N 322.390 -0.375 50 20 DBGD C/C=C/[C@@H]1CNC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 1576926407 ZYAIRCMBCKWMOG-JTNORFRNSA-N 320.349 -0.432 50 20 DBGD C[C@@]1(NNC(=O)NC2CC(CC(=O)O)C2)CCS(=O)(=O)C1 1594060673 UDSSCWAFMZGQFL-SHVIVCPWSA-N 319.383 -0.379 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNC(=O)C2CCCC2)C1=O 1595084975 ZPDSAVVQYOPVEK-SNVBAGLBSA-N 311.338 -0.353 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@H](C(=O)O)C3CC3)nc21 1605561807 SUTQQKHZGLKYMH-SSDOTTSWSA-N 306.282 -0.377 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN(CC(=O)O)C2CC2)c1 1608215305 OWODGZODUBVBRV-UHFFFAOYSA-N 316.317 -0.132 50 20 DBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793447795 ZTNFQRDKWCPJHQ-NOHGZBONSA-N 317.817 -0.058 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 8393264 KLXMVVQCTQYGAN-UHFFFAOYSA-N 305.290 -0.487 50 20 DBGD CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCl 111238110 TVQOVQNHRDTJTQ-QMMMGPOBSA-N 304.821 -0.084 50 20 DBGD Cc1ccc(-c2nnn(CC(=O)NNC(=O)N(C)C)n2)cc1 194927516 XLXCPUYXFZLSBP-UHFFFAOYSA-N 303.326 -0.049 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)n1 282268145 PHZGRBVHVPIDSD-OIBJUYFYSA-N 308.342 -0.056 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1ccccc1F 291397150 DIAHABZGGGXXIL-NSHDSACASA-N 311.313 -0.280 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)CCNC(=O)NC)nc1C 293565513 VFAGEUCCJXSLKX-UHFFFAOYSA-N 324.341 -0.276 50 20 DBGD COC(=O)[C@H](CO)NC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C 490843607 OOGJZCSRVYWGMA-HQAMWZJRSA-N 316.317 -0.238 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(CN2CCOC2=O)cc1 495307964 SBUQUARFIIRTIN-UHFFFAOYSA-N 308.294 -0.216 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]c(C)cc2=O)n1 746096635 FWDHLFMNHLNAQC-UHFFFAOYSA-N 303.322 -0.042 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 751144924 FTGPQHVORXAFJT-UHFFFAOYSA-N 305.312 -0.113 50 20 DBGD CCS(=O)(=O)NCCS(=O)(=O)N1CC=C(C#N)CC1 759082117 SBCWFARWFSFEIY-UHFFFAOYSA-N 307.397 -0.589 50 20 DBGD CCCn1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)nn1 766432471 WTMRIIXXQZERNH-UHFFFAOYSA-N 320.309 -0.528 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1nnnc1C(C)C 772164759 PXRRYSXNPAHRNB-MRVPVSSYSA-N 312.330 -0.714 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(CC(N)=O)C(C)C)c1 777545199 QNACJDROILLRCL-UHFFFAOYSA-N 306.366 -0.048 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)Cn2cncn2)nc1C 778421139 HEURISSNSWFTTK-UHFFFAOYSA-N 305.298 -0.303 50 20 DBGD C[C@]1(NNC(=O)N[C@H]2CCC[C@H]2CCO)CCS(=O)(=O)C1 779715000 WAMBIFFIHGAZGP-GVXVVHGQSA-N 319.427 -0.082 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN1CCN(C)C(=O)C1 780641074 JERJYQGELNOOLP-UHFFFAOYSA-N 320.349 -0.770 50 20 DBGD O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)NC1CC1 788739488 VGJJRQAFXKMGMS-JTQLQIEISA-N 304.306 -0.568 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNc2ncc(F)cn2)c(=O)c1 790906248 VNVKQIYONSJQFZ-AWEZNQCLSA-N 321.312 -0.020 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1C(N)=O 843969944 ADPUTSSSFFEQFU-UWVGGRQHSA-N 320.349 -0.230 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(O)nc(C3CC3)n2)CC1 854382774 LHWXYJKXBDWUQJ-UHFFFAOYSA-N 320.353 -0.339 50 20 DBGD CC(C)COCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858124243 QHQDGIZYPPLLFS-SNVBAGLBSA-N 300.359 -0.342 50 20 DBGD CNC(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 860336809 GOPBZRSGQQVZTO-SNVBAGLBSA-N 319.321 -0.523 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)N2C[C@H](O)[C@@H](O)C2)cc(C#N)n1C 862581406 PALQHZIAGZMANW-RGUNJIMZSA-N 300.318 -0.324 50 20 DBGD COc1cc2c(cc1C=NNC(=O)CS(C)(=O)=O)OCO2 863186853 OJPYHVFBZIFHRO-UHFFFAOYSA-N 314.319 -0.081 50 20 DBGD CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 863884613 BAOGFOFDFNPLKO-MFKMUULPSA-N 323.129 -0.033 50 20 DBGD CC(=O)c1ccc(CC(=O)NNC(=O)C(=O)NC2CC2)cc1 915827377 IOEUWOXCALIZEP-UHFFFAOYSA-N 303.318 -0.142 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COCc2nncn2C)n1 1117721619 VFFXUJGRTHRKDM-UHFFFAOYSA-N 304.310 -0.504 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CN1CCC(C)CC1 1118555225 ADTAKMJYIFZVRF-JTQLQIEISA-N 300.359 -0.390 50 20 DBGD COc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CCO)c1 1254904696 DMIXDPPHVKDNFG-UHFFFAOYSA-N 315.713 -0.183 50 20 DBGD O=C(NCCF)NNC(=O)C1CCN(c2ncccn2)CC1 1256470390 JQJPUAGQUPCWLB-UHFFFAOYSA-N 310.333 -0.007 50 20 DBGD N#Cc1ccc(NNC(=O)Cn2ncn3nccc3c2=O)cc1 1319387554 YUJYPDWWRJSHAX-UHFFFAOYSA-N 309.289 -0.094 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1 1320231983 GLIALQAVUVDYLF-UHFFFAOYSA-N 312.289 -0.011 50 20 DBGD CCN1CCc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc21 1321152669 VYXDBEJLHQGZAG-UHFFFAOYSA-N 320.349 -0.463 50 20 DBGD C#CCOc1ccccc1CNC(=O)NNC(=O)C(=O)OC 1322249565 QZGFSODVODGPAK-UHFFFAOYSA-N 305.290 -0.298 50 20 DBGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)C(C)(C)C)ccnc1-2 1323230236 VEVFTYHAJBHWPG-UHFFFAOYSA-N 318.337 -0.526 50 20 DBGD Cc1ccccc1OCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328690729 XSICERVGYMRKRM-NSHDSACASA-N 320.349 -0.017 50 20 DBGD C[C@@H](C(=O)NNc1ccccc1S(N)(=O)=O)n1cncn1 1344048448 JQZZLWAEHNCITO-QMMMGPOBSA-N 310.339 -0.370 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1ccccn1 1351152394 JCOGBQQQFXJWSO-AAEUAGOBSA-N 303.366 -0.840 50 20 DBGD C[C@]1(C(=O)NNc2cc(O)nc3ncccc23)C[C@H](O)CN1 1576349936 KNGMASVSTDPGRF-RMLUDKJBSA-N 303.322 -0.109 50 20 DBGD NCC(=O)NNC(=O)CN1CC[C@@H](c2ccccc2)NC1=O 1580210495 IHNQVGSMPZOENY-NSHDSACASA-N 305.338 -0.751 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1591272518 JWPCZXOYMMACKA-UHFFFAOYSA-N 313.299 -0.847 50 20 DBGD C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NNC(=O)C(=O)O 1592180707 DILMXQIVYFKONA-LURJTMIESA-N 309.282 -0.975 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)N1CCOCC1 1592501440 RRQBSQDOBUXRDB-UHFFFAOYSA-N 321.297 -0.545 50 20 DBGD O=C(NNC(=O)C12CCC(C(=O)O)(CC1)CC2)C(=O)NC1CC1 1601553439 HUTGOHSXDNNDTR-UHFFFAOYSA-N 323.349 -0.162 50 20 DBGD O=C(CCCn1ccc(C(=O)O)n1)NNC(=O)c1cccnn1 1608305963 FDABETXYGFMJOE-UHFFFAOYSA-N 318.293 -0.387 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1-c1nn[nH]n1 1609418950 DHHJYVBQKKGKJF-UHFFFAOYSA-N 304.310 -0.293 50 20 DBGD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1795527763 ATGWGJGAEYQAND-SRSLHRDFSA-N 310.181 -0.662 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)C(=O)NC2CC2)cc1 8392570 ZEZVSXREQOHYEI-UHFFFAOYSA-N 307.306 -0.500 50 20 DBGD Cc1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CN(C)C)CC2 126438897 DROJJWCOMKKRTA-UHFFFAOYSA-N 304.350 -0.407 50 20 DBGD COC(=O)N(C)CCCC(=O)NNC(=O)C(=O)NC(C)C 264290991 PTLIHNKMLPISLZ-UHFFFAOYSA-N 302.331 -0.863 50 20 DBGD CCS(=O)(=O)NCCCNC(=O)NNc1cccnn1 265455395 BQOYPEQDANXEOI-UHFFFAOYSA-N 302.360 -0.568 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1cccnn1 267351578 NRJXPZNLLQFHAN-UHFFFAOYSA-N 317.371 -0.736 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 268698753 RJKAFWIGUUKRQH-GRYCIOLGSA-N 318.333 -0.474 50 20 DBGD COCCN(C)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 288550254 YQFIUBONAOXYGO-YRRQLQLVSA-N 307.350 -0.597 50 20 DBGD C[C@@H]([C@@H](C)NC(=O)c1cc(B(O)O)ccc1F)N1CCOCC1 584941754 OOCIVZRCQZUXIB-MNOVXSKESA-N 324.161 -0.656 50 20 DBGD CCN(C)C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584955221 SJPRTXFVLSMBLT-LLVKDONJSA-N 308.162 -0.081 50 20 DBGD O=C1CN(C(=O)c2cc(B(O)O)ccc2F)[C@H]2CCCC[C@H]2N1 584958428 OGDZSJBJPYKQCZ-OLZOCXBDSA-N 320.129 -0.611 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@@H]1c1ncon1 584968812 OFBGQQYJTJCWAU-LLVKDONJSA-N 321.073 -0.898 50 20 DBGD Cc1nc([C@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)C2)n[nH]1 585002048 LBNJMOXNNMPARG-VIFPVBQESA-N 318.117 -0.438 50 20 DBGD C[C@H](NCc1ccc(B(O)O)cc1F)[C@@H](C)N1CCOCC1 585024473 WGNGDPLZXWNYKZ-NWDGAFQWSA-N 310.178 -0.296 50 20 DBGD C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@@H](B(O)O)C2)C1=O 585070431 ZVLYODDTORGVCP-WDEREUQCSA-N 318.138 -0.124 50 20 DBGD O=C(NNC(=S)NCC1CCC1)[C@@H]1CCS(=O)(=O)C1 727272004 JNFANDACAIUOQY-SECBINFHSA-N 305.425 -0.284 50 20 DBGD CCN(CC)CCSCC(=O)NNC(=O)C(=O)NC(C)C 746103039 GKLJHMIKUWFIMU-UHFFFAOYSA-N 318.443 -0.267 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H](O)c1ccccc1 746195687 ATDHGZLWGKCEJP-CYBMUJFWSA-N 317.301 -0.110 50 20 DBGD Cc1nc(COc2ccc(C(=O)NNC(=O)CO)cc2)no1 753442880 QFVJIXRHHYDMJD-UHFFFAOYSA-N 306.278 -0.290 50 20 DBGD COC[C@@](C)(CC(=O)OC)NCC(=O)NNC(=O)C(C)(C)C 755978939 MZDTWOHABQZUQE-CQSZACIVSA-N 317.386 -0.262 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1Cl 764204753 YMAQMJGIDLQNKL-UHFFFAOYSA-N 323.740 -0.141 50 20 DBGD O=C(NN=C1CCN2CCC[C@H]12)N[C@H]1CCS(=O)(=O)C1 765573174 XKIMRGNQNYDYAV-GXSJLCMTSA-N 300.384 -0.303 50 20 DBGD CN1CCCC[C@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 770971053 DYYZJSUTKCIXNA-VIFPVBQESA-N 305.342 -0.004 50 20 DBGD O=C(CN[C@H](CO)C1CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 771814742 UAKHODVWMHMDNN-GFCCVEGCSA-N 322.321 -0.284 50 20 DBGD COCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CCOCC1 780225976 QYDYETZSXMZWGH-SECBINFHSA-N 321.399 -0.531 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NNc2ncccn2)nc1 792399568 DVUBEPWXAHNBNX-UHFFFAOYSA-N 323.338 -0.072 50 20 DBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)N1CCCC1 795874242 VQLQDDFLHBAZKJ-NSHDSACASA-N 310.354 -0.843 50 20 DBGD CN(NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)C(N)=O 801181372 MUVQZJCCTJIDTF-UHFFFAOYSA-N 318.330 -0.269 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc3c(cnn3C)c2)CC1 807382647 MTYDFKOFSZQFRN-UHFFFAOYSA-N 317.353 -0.430 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)n1C 815505919 CCNXSMXZGWLHTL-UHFFFAOYSA-N 305.294 -0.082 50 20 DBGD O=C(NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1)C(=O)N1CCCC1 833148894 AMMPUOBTAQSBFT-VHSXEESVSA-N 311.338 -0.353 50 20 DBGD Cn1ncnc1C=NNC(=O)c1csc(N2CCOCC2)n1 842520438 KRWRXVYOSJAYOE-UHFFFAOYSA-N 321.366 -0.128 50 20 DBGD NC(=O)C1(C(=O)NNc2ncc(Br)cn2)CC1 848320195 MGIBAELOBMXGMH-UHFFFAOYSA-N 300.116 -0.052 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)N=c2cc[nH]cc2)n1 854377865 XUEIBRNTXZBUJG-UHFFFAOYSA-N 318.341 -0.360 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 1119663725 WAHBTQXLZQUELG-NSHDSACASA-N 322.365 -0.843 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1261826907 FWYYUTMNQIKWRT-VGMNWLOBSA-N 318.399 -0.651 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNC(=O)CC(F)(F)F 1328741203 KSMIAOMDKCYYNX-UHFFFAOYSA-N 302.216 -0.233 50 20 DBGD O=C(Cc1csc(N2CCCC2=O)n1)N1CC[C@@H](B(O)O)C1 1330262938 VOSGKDVBTQIUAD-SECBINFHSA-N 323.183 -0.112 50 20 DBGD Nc1cnnc(NNC(=O)CCN2C(=O)CCC2=O)c1Cl 1340556246 VIYUQQMXKJQKLN-UHFFFAOYSA-N 312.717 -0.306 50 20 DBGD C[C@H](C[S@@](C)=O)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1342301730 VILWAJREIZSCRH-LTLOQGBMSA-N 311.429 -0.866 50 20 DBGD CO[C@@H]1CCC[C@@H]1S(=O)(=O)NN(C)C(=O)N1CCNCC1 1579114706 XFFGHHGWEDIYAU-MNOVXSKESA-N 320.415 -0.655 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CN2CCNCC2)c1 1579581271 NPMKHNCOSMMCKC-UHFFFAOYSA-N 320.393 -0.265 50 20 DBGD CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)C(=O)O)CCC[C@H]2C1 1589056920 KJIGLPMNHLVERJ-AEJSXWLSSA-N 312.326 -0.952 50 20 DBGD CCn1nncc1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604626296 DAWZBLVNIJYTCV-UHFFFAOYSA-N 300.286 -0.370 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cnccc1-c1nn[nH]n1 1606851549 CKUGEWACSJISSE-JTQLQIEISA-N 317.309 -0.408 50 20 DBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(C)=O)C2 1800974999 FHSCGIROTOYQBG-USZNOCQGSA-N 304.774 -0.150 50 20 DBGD CCCCNC(=O)NNC(=O)Cn1nc2ccccn2c1=O 68385722 YTLSCZBHKSSJGM-UHFFFAOYSA-N 306.326 -0.374 50 20 DBGD CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)CCl)C1 111001550 AQWRAQVPZAXKHJ-QMMMGPOBSA-N 304.821 -0.226 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)N1CCOCC1 171207445 KPGLSANAESVMJH-UHFFFAOYSA-N 303.322 -0.050 50 20 DBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)Cc1cccnc1 264245708 WJSNWPGNBFTLMR-LLVKDONJSA-N 307.354 -0.001 50 20 DBGD CCN(C)S(=O)(=O)NNC(=O)COc1ccccc1O 266771783 JPLGDWYHRIMCKL-UHFFFAOYSA-N 303.340 -0.412 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1ccco1 266988842 WXTHQNCISITUQU-SNVBAGLBSA-N 324.337 -0.080 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 278514235 BGNPOUOOUJGSOT-CYBMUJFWSA-N 320.349 -0.185 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NNC(=O)CO)C1 375255536 GTDDKVAZWKFHCO-LKFCYVNXSA-N 313.354 -0.227 50 20 DBGD CNS(=O)(=O)CCNC(=O)/C(C#N)=C\c1ccc(O)cc1 491127682 BPZPVVIKNPOYKT-FLIBITNWSA-N 309.347 -0.035 50 20 DBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)OC 497248441 XPAOPGZIHFQNHP-UHFFFAOYSA-N 323.352 -0.856 50 20 DBGD COCCN1CC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584945565 ZSDHYQRGIQQQMN-LLVKDONJSA-N 324.161 -0.796 50 20 DBGD CCN(C)C(=O)[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(C)C 584995082 IOIZAFHZIZPWQH-ZDUSSCGKSA-N 306.171 -0.401 50 20 DBGD CCN1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 729303544 SUCFVTVWRCUZDZ-GHMZBOCLSA-N 317.411 -0.557 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(N)c([N+](=O)[O-])c1 729510503 PYSNNSJKVBDKGK-UHFFFAOYSA-N 321.293 -0.475 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1nnc(O)c2ccccc12 739455267 YEFNLLXLZJFKLI-DTWKUNHWSA-N 316.273 -0.183 50 20 DBGD COCC(=O)NNC(=O)Nc1cccc(-n2nnnc2C)c1 755759691 ORDYZOQLRPOAEY-UHFFFAOYSA-N 305.298 -0.230 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])cn1 771971676 BSRYRJCDCDCMCS-ZETCQYMHSA-N 313.270 -0.720 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)c(O)c1 781906040 WTCJONNQWZLJHS-UHFFFAOYSA-N 320.349 -0.764 50 20 DBGD Cc1n[nH]c(C)c1CC(=O)NNC(=O)CNC(=O)c1ccco1 786859674 ZPGRWCDVDSDBNM-UHFFFAOYSA-N 319.321 -0.261 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 788890169 MGAXSESWXJSPOY-JOYOIKCWSA-N 320.415 -0.766 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccncc1 792779580 HOOTWYHNDUFELL-UHFFFAOYSA-N 323.334 -0.858 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cn(C)nc1C 808081636 SABZKVMKBRNDJA-UHFFFAOYSA-N 305.360 -0.742 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1ccnc(Cl)c1 855466417 MRNHGBNEKGKMAJ-UHFFFAOYSA-N 307.763 -0.426 50 20 DBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)OCC(F)(F)F)S1 856024378 TYNCSJXCTGXHGK-VKHMYHEASA-N 314.245 -0.137 50 20 DBGD CO[C@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C1 858171697 AHBPTHOXGNMHQZ-KYZUINATSA-N 310.310 -0.483 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H]2COCCN2)c1 861681507 OVWKEGVHUMMMDZ-GFCCVEGCSA-N 321.381 -0.315 50 20 DBGD CC(=O)N1C[C@H]2CN(C(=O)c3cc(B(O)O)ccc3F)C[C@H]2C1 908370737 WMBKGPVWDFNWMY-PHIMTYICSA-N 320.129 -0.944 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H](O)CCc1ccccc1 913732294 PMDZEVBUYGCDLM-CYBMUJFWSA-N 319.361 -0.250 50 20 DBGD O=C(COCC(F)(F)F)NNC(=O)C(=O)Nc1ccccn1 1116637749 KYWCJEGRXJRINE-UHFFFAOYSA-N 320.227 -0.254 50 20 DBGD C[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)C[C@@H](C)S1(=O)=O 1118864292 NNJDHZUOJQLTRF-OCAPTIKFSA-N 315.355 -0.729 50 20 DBGD CC[C@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(=O)OC 1256706187 RFDAIYXBEVQPEL-MRVPVSSYSA-N 308.294 -0.633 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)CN2C(=O)CNC2=O)n1 1319168301 HCTXQLDRIDPBRR-UHFFFAOYSA-N 321.341 -0.682 50 20 DBGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)C2CC2)o1 1319170371 INBKDVZPAFGPTL-UHFFFAOYSA-N 301.324 -0.500 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 1320245009 GHHZAAZRGVQFIY-UHFFFAOYSA-N 306.278 -0.103 50 20 DBGD O=C(CCc1nc(-c2ncccn2)no1)NNC(=O)NC1CC1 1325967906 CXKITPBAOMXFCX-UHFFFAOYSA-N 317.309 -0.048 50 20 DBGD CCC(=O)N[C@H](CCSC)C(=O)N1CC[C@H](B(O)O)C1 1329673450 YDRLACFYJTYDBR-VHSXEESVSA-N 302.205 -0.290 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)c1nnc(O)c2ccccc12 1331839613 HBLRMDTUAKCQKN-AWEZNQCLSA-N 320.305 -0.506 50 20 DBGD COCCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)ccc1=O 1337766854 PQOIWJHODNEXIT-UHFFFAOYSA-N 319.321 -0.779 50 20 DBGD CC(=O)CCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1337845788 SQZMSOMBFVBPNZ-SECBINFHSA-N 305.356 -0.737 50 20 DBGD NCCn1cc(C(=O)NNC(=O)c2cccc(Cl)c2)nn1 1580320558 ZJFRMGAFEZIDNU-UHFFFAOYSA-N 308.729 -0.035 50 20 DBGD O=C(NC[C@@H]1CCN1)NNC(=O)c1ccc2c(c1)OCCO2 1580658110 KALVEAAVMWXGEA-JTQLQIEISA-N 306.322 -0.236 50 20 DBGD O=C(NNC(=S)Nc1ccccn1)c1cnnn1C1CNC1 1580737734 XEOPWYORLNJIHZ-UHFFFAOYSA-N 318.366 -0.551 50 20 DBGD Cc1cccnc1NNC(=O)Cn1cnc(-c2nn[nH]n2)n1 1592263999 MVMSZUSXPXXBJS-UHFFFAOYSA-N 300.286 -0.695 50 20 DBGD O=C(NCCN1CCc2ccccc2C1)NNC(=O)C(=O)O 1601502453 SRPUYOFUCHGBBX-UHFFFAOYSA-N 306.322 -0.540 50 20 DBGD C/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792983146 AUSCUYXMESLUNL-DCADLRGKSA-N 316.785 -0.248 50 20 DBGD N=C(N)NCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2 1842884615 BONUONQAQQSDHM-UHFFFAOYSA-N 322.196 -0.523 50 20 DBGD CC[C@H](NC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557882 DYBXRRMMBLLVPY-BJDJZHNGSA-N 317.817 -0.214 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNc2ncccn2)s1 42041528 GNJPGSJLIMYTHW-UHFFFAOYSA-N 313.364 -0.129 50 20 DBGD Cn1cc(Cl)cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 48708523 FWCLUEULUOXXCD-SSDOTTSWSA-N 319.770 -0.126 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCn3cnnc3C2)cc1 105878118 YKFAJPDVZIJKOY-UHFFFAOYSA-N 314.349 -0.137 50 20 DBGD CC(=O)N1CCc2cc(C(=O)NNC(=O)CN(C)C)ccc21 113427435 SHTXEIQDBMMPJH-UHFFFAOYSA-N 304.350 -0.082 50 20 DBGD CCNC(=O)NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 139250481 PIWMLLSBAXFYLM-UHFFFAOYSA-N 314.367 -0.383 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])nc2C)[nH]n1 151224188 MIMQSNJGUOOBBI-UHFFFAOYSA-N 321.297 -0.017 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C2(NC(N)=O)CC2)cc1 270951910 OWDXVYABEVRYHW-UHFFFAOYSA-N 317.305 -0.715 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cncc(-c2cnn(C)c2)c1 369288591 RYTBDFQCEDBNMF-UHFFFAOYSA-N 302.338 -0.195 50 20 DBGD COCCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 491378384 LRHWLFHEXWIHDA-UHFFFAOYSA-N 304.347 -0.122 50 20 DBGD COC(=O)NNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 495366640 GNNJYXMKHUSNKJ-UHFFFAOYSA-N 311.319 -0.140 50 20 DBGD CN(NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 497031926 YXDBPZQHZBZCCD-VIFPVBQESA-N 320.371 -0.173 50 20 DBGD Cn1cnnc1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584930805 DXEHQLQOLHGVOZ-UHFFFAOYSA-N 314.154 -0.485 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)cc2)CN1CC(F)(F)F 584980765 JYBAODHTIFZLLP-UHFFFAOYSA-N 316.044 -0.829 50 20 DBGD CC(C)(C)N1CC[C@H](NC(=O)c2cccc(B(O)O)c2)C1=O 585001653 XIEDTGXQIMUNNO-LBPRGKRZSA-N 304.155 -0.504 50 20 DBGD CC(C)(C)N1C[C@H](CNC(=O)c2cccc(B(O)O)c2)CC1=O 585006006 PJSZNOBUEXJTLA-NSHDSACASA-N 318.182 -0.257 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCCCCl 696857936 XZICVPJQGUZYGJ-RKDXNWHRSA-N 319.832 -0.263 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 737809952 WFUCOZIBKMNPBE-UHFFFAOYSA-N 315.215 -0.025 50 20 DBGD Cc1c(C(=O)NNC(=O)COc2ccc(C#N)cc2)nnn1C 741659086 BFZGEPHPKUCNMZ-UHFFFAOYSA-N 314.305 -0.165 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 753445532 LWWWSSHGHRUUIX-NSHDSACASA-N 306.322 -0.927 50 20 DBGD COCC(=O)NN=Cc1ccc(C=NNC(=O)COC)cc1 761822248 ZCKPIYXYIZCROU-UHFFFAOYSA-N 306.322 -0.120 50 20 DBGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(C)=O 763518100 QITQZDQDUNWDCA-UHFFFAOYSA-N 309.278 -0.412 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc2c1oc(=O)n2C 775688553 ZVFWPBAIGSWQSG-UHFFFAOYSA-N 307.310 -0.154 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1cccc(F)n1 804771007 CLYCFOUAEFJAJI-SNVBAGLBSA-N 323.328 -0.209 50 20 DBGD CC(C)NC(=O)NNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 824404451 QIWQBIRNQAXHBA-SNVBAGLBSA-N 320.415 -0.168 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 825929703 KVLLBTGZXJNXNL-RKDXNWHRSA-N 307.372 -0.824 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C1CN(C(=O)C2CCCCC2)C1 836783989 ORSWWXXRNVOGSP-UHFFFAOYSA-N 311.382 -0.057 50 20 DBGD COc1ccc(Cn2nnc(C(=O)NNC(=O)CO)c2C)cc1 846637563 XTKZIJMHIIJJGE-UHFFFAOYSA-N 319.321 -0.603 50 20 DBGD COC(=O)c1cccc(NNC(=O)Cn2ncn(C)c2=O)c1C 855625865 LQHQISXBULCCCP-UHFFFAOYSA-N 319.321 -0.180 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H]2CCCSC2)N1 858459069 QDKBAOSQUUEUJJ-DTWKUNHWSA-N 300.384 -0.261 50 20 DBGD Cc1ccc([C@H](O)CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858694084 GELIJDLORVAJCR-NWDGAFQWSA-N 320.349 -0.363 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CNS(=O)(=O)c1cccs1 910169917 HUQVZLGCPSXBKC-MRVPVSSYSA-N 307.397 -0.630 50 20 DBGD C[C@@]1(Br)C[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913729874 BRCZTYLNYNXPKV-WRWORJQWSA-N 318.171 -0.070 50 20 DBGD O=C(NCCc1ccccn1)NNC(=O)C(=O)N1CCCC1 1251402192 MDGYVBGZBAMTPD-UHFFFAOYSA-N 305.338 -0.423 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNc1ncc(F)cn1 1329646266 GDXVZAWNDDTPHY-UHFFFAOYSA-N 305.335 -0.092 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)[C@@H]1CCC(=O)N1 1351373051 ZQNJHWATEBJXTR-IUCAKERBSA-N 322.321 -0.929 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H]2CN3CCN2C[C@H]3C)nc1 1351700426 RPGMDVSPRYVTSY-ZYHUDNBSSA-N 319.365 -0.300 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)C[C@H]1CNCCS1(=O)=O 1575124789 DSKIXVVCLFQZRW-VIFPVBQESA-N 305.400 -0.653 50 20 DBGD COc1ccc(OC)c(CCNC(=O)NNC(=O)C(=O)O)c1 1599602503 XKWFTVTWCYKWPP-UHFFFAOYSA-N 311.294 -0.339 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 266878419 NLWNPRGHGBRJTP-QMMMGPOBSA-N 315.355 -0.393 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 270534466 VLDVVOVMTDBTOU-GZMMTYOYSA-N 323.305 -0.282 50 20 DBGD CCN(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 270893010 QOFWYLNCQBJUTR-UHFFFAOYSA-N 319.365 -0.557 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)NC1CC1 279594059 ROUFDSXALDHGHM-AWEZNQCLSA-N 308.338 -0.599 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CC1OCCO1 492459203 TZUOQMLLFGDVGW-UHFFFAOYSA-N 303.315 -0.579 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)NC(C)(C)C 584934590 TUGILIGZWPMFFP-MRVPVSSYSA-N 310.134 -0.462 50 20 DBGD O=C(NCCCCN1CCCCC1=O)c1cccc(B(O)O)c1 584937624 AEKJCSNIWYEFQE-UHFFFAOYSA-N 318.182 -0.111 50 20 DBGD OB(O)c1ccc(CNC[C@H]2CN3CCCC[C@H]3CO2)cc1 585032501 VYABDKNQROXUAV-HOTGVXAUSA-N 304.199 -0.291 50 20 DBGD OB(O)c1ccc(CNCC2(N3CCOCC3)CC2)c(F)c1 585038388 COIDUXCRZIVXML-UHFFFAOYSA-N 308.162 -0.540 50 20 DBGD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCB(O)O)cc1 585057598 HNPCUYGOROBHQQ-SECBINFHSA-N 314.172 -0.495 50 20 DBGD CN1CCN(c2ncc(CN3CC[C@@H](B(O)O)C3)cn2)CC1 585077315 TUQNWZPQAIGTEM-CYBMUJFWSA-N 305.191 -0.723 50 20 DBGD CNS(=O)(=O)C1CCN(C(=O)NNC(=O)C(C)(C)C)CC1 732247702 LMUJUZQRGPSSMX-UHFFFAOYSA-N 320.415 -0.213 50 20 DBGD CN1CCN(CC(=O)NNC(=O)COCc2ccccc2)CC1 738545859 RXHWDPJWBQBDJH-UHFFFAOYSA-N 320.393 -0.402 50 20 DBGD COCCOC[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 745863822 JGXYAIMQDONLFG-JQWIXIFHSA-N 323.415 -0.581 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H](C)N1CCSCC1 750856369 IYCVBTFLFNQFKV-SNVBAGLBSA-N 304.416 -0.209 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(C)c1 764304340 YGGQRTOYOCNHEY-UHFFFAOYSA-N 308.338 -0.207 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1nccn2ccnc12 772161896 YBAUBPLYMPCNLT-QMMMGPOBSA-N 305.294 -0.168 50 20 DBGD CC(=O)NNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 775708456 OPOPIVXRVSBBMF-SNVBAGLBSA-N 305.294 -0.390 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2CCN(C)C2=O)cc1 776108659 UIKAFJNJCHIMEU-GFCCVEGCSA-N 320.349 -0.267 50 20 DBGD Cc1c(NC(=O)NNC(=O)CO)cccc1N1CCNC1=O 786345857 PYYNKRVIVAUVCB-UHFFFAOYSA-N 307.310 -0.330 50 20 DBGD CCc1occc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 797710937 BFZJWRXXSZKVSI-QMMMGPOBSA-N 315.351 -0.027 50 20 DBGD CN(C)c1ccc(NC(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 814223063 LFQHXAWOVQPPEO-UHFFFAOYSA-N 318.293 -0.404 50 20 DBGD O=C(Cn1cccnc1=O)NNc1ccc(-c2nn[nH]n2)cc1 826424297 FMVAPMQYWNLWLA-UHFFFAOYSA-N 312.293 -0.433 50 20 DBGD CO[C@@H]1COC[C@@H]1NCC(=O)NNC(=O)c1cccc(C)c1 839201726 XIGXXASVMGZUIU-QWHCGFSZSA-N 307.350 -0.241 50 20 DBGD CCCN(CC(N)=O)CC(=O)NNC(=O)Cc1ccccc1C 839608009 NHUFZOBBMLFMTQ-UHFFFAOYSA-N 320.393 -0.118 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)c1ccc(N2CCCC2)nn1 855358402 IZYSVJSWVGAFCI-UHFFFAOYSA-N 301.310 -0.125 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)OCC(F)(F)F 856021744 LLNBLSLSKVZMLE-UHFFFAOYSA-N 307.250 -0.755 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCNC2=O)c(C)c1 856792518 UUZMZLGOOZPFON-LLVKDONJSA-N 304.350 -0.001 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C(C)(C)C)n1 862458098 XIQULPVUIDQSFP-VIFPVBQESA-N 307.354 -0.243 50 20 DBGD C[C@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)COc2ccccc2O1 862463736 KTJIXPGUAQIXLO-BJOHPYRUSA-N 319.317 -0.358 50 20 DBGD Cc1cc(=NNC(=O)[C@@](C)(O)Cn2ccccc2=O)cc[nH]1 862512477 WIEUBHCUSPRRIN-HNNXBMFYSA-N 302.334 -0.132 50 20 DBGD Cc1ccc(F)c2c1C(=NNC(=O)CS(C)(=O)=O)C(=O)N2 863189307 HYSHDCRPXJBLSB-UHFFFAOYSA-N 313.310 -0.049 50 20 DBGD COCCOCC(=O)NNC(=O)C(=O)N1CCC(C)CC1 869908288 ZMBPDLFKUMDJDE-UHFFFAOYSA-N 301.343 -0.945 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@@H]2COCC[C@@H]21 888787405 VDHFNDTXWOSRLR-QWHCGFSZSA-N 309.102 -0.865 50 20 DBGD Cn1cnn(CCC(=O)NNC(=S)NC(C)(C)C)c1=O 899997588 ZLTQMTJQFUBVNW-UHFFFAOYSA-N 300.388 -0.734 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@H](C)N2CCN(C)CC2)n[nH]1 1261878435 MOQQQPYARPIVOQ-NSHDSACASA-N 308.386 -0.956 50 20 DBGD COCC(=O)N[C@H](C(=O)NNc1nnc(C)c(O)n1)C(C)C 1318678142 HGNMONAEAAZFMK-VIFPVBQESA-N 312.330 -0.884 50 20 DBGD CNC(=O)COc1ccc(NC(=O)NNC(=O)CCO)cc1 1320567313 RQZPSPOLBGDUCJ-UHFFFAOYSA-N 310.310 -0.654 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(NC(=O)COC)CC1 1322758352 WTFPHDIDYAQPSV-JTQLQIEISA-N 314.386 -0.841 50 20 DBGD Cn1c(=O)nc(O)c2cc(C(=O)NN=c3cc[nH]cc3)cnc21 1325092488 ZNLRPZBSOBUOSH-UHFFFAOYSA-N 312.289 -0.392 50 20 DBGD CCOC(=O)c1cc(C=NNC(=O)CS(C)(=O)=O)on1 1331723124 QJOUTMPNIKIKQJ-UHFFFAOYSA-N 303.296 -0.654 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1c(C2CC2)cnn1C 1333702467 ZJWGHAVUYVLDPA-MRVPVSSYSA-N 313.383 -0.315 50 20 DBGD COCCN(C)CCNC(=O)NNc1nncc(N)c1Cl 1340526323 GUGFUZHILKJAGX-UHFFFAOYSA-N 317.781 -0.084 50 20 DBGD NC(=O)NCCCCC(=O)NNC(=O)CCCc1cnn[nH]1 1577733254 VOROGXWKKYFYKN-UHFFFAOYSA-N 311.346 -0.887 50 20 DBGD CO[C@@H](C(=O)NNC(=O)NC1CCNCC1)[C@@H]1CCOC1 1578890762 ANCNPAKGGDIFEG-MWLCHTKSSA-N 300.359 -0.880 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)COc1cc(C)cc(C)c1 1593909128 PRCZLXJOIABZJY-LBPRGKRZSA-N 310.306 -0.071 50 20 DBGD CC[C@H](C)[C@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)O 1594901821 JUNLFGQXSJZZLW-ZANVPECISA-N 309.127 -0.639 50 20 DBGD NS(=O)(=O)CCCNC(=O)NNc1cccc(C(=O)O)c1 1601193481 BUBTWLMMWPRMDL-UHFFFAOYSA-N 316.339 -0.311 50 20 DBGD O=C(O)[C@@H](CC1OCCO1)NS(=O)(=O)CCCCl 1601645356 MWJLEISBKRDOTI-SSDOTTSWSA-N 301.748 -0.249 50 20 DBGD CC(C)(CCl)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841224939 GTDCZCSLEZRFBB-UHFFFAOYSA-N 304.774 -0.235 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)c(OC)c1 8392190 ZQWMRFNFYVWLSR-UHFFFAOYSA-N 307.306 -0.257 50 20 DBGD CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)CN(C)C 120086936 GNMLUCHFARSYQZ-UHFFFAOYSA-N 320.393 -0.213 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-n2cnnn2)cc1 269429141 GOWMBVPMENIEBG-LBPRGKRZSA-N 316.321 -0.008 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CN(C)CCO2)nc1C 272170530 JKVULYSLILXPPA-NSHDSACASA-N 323.353 -0.265 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(-n2cnnn2)cc1 274779718 DHZIASHMIKVACJ-UHFFFAOYSA-N 304.314 -0.623 50 20 DBGD CN(C)C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 299345566 FUQSENXVUIXNNU-UHFFFAOYSA-N 304.306 -0.025 50 20 DBGD O=C(NCc1cn2c(n1)CCCC2)c1ccc(B(O)O)c(F)c1 584940544 XBTJYHSNCUQCQU-UHFFFAOYSA-N 317.129 -0.032 50 20 DBGD O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585057978 PTERAZQXPQKBQE-JTQLQIEISA-N 314.128 -0.027 50 20 DBGD CC(C)[C@H](C(=O)N1CC[C@@H](B(O)O)C1)N1CCCS1(=O)=O 585064597 RYEKXTYMJJNXBR-GHMZBOCLSA-N 318.204 -0.878 50 20 DBGD C=CCN(CC(=O)NNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 733197788 BPUXDPPHDQARIL-NSHDSACASA-N 315.395 -0.781 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 746166691 DDGGGYVYUIXQOG-NSHDSACASA-N 318.333 -0.144 50 20 DBGD CC[C@H](SC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746835699 QTPCTDJBDNIGOH-SFYZADRCSA-N 309.413 -0.355 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(=O)O)[nH]1 749815329 NHOLUHPMKODAKB-LURJTMIESA-N 302.312 -0.899 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(=O)O)cs1 755697578 FXMDQBMIMRCCEG-ZCFIWIBFSA-N 319.364 -0.166 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2cn(-c3ccccc3)nn2)nn1 757391147 BGWJKUWUUMWVQB-UHFFFAOYSA-N 324.304 -0.087 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)Cn1cnc(C#N)n1 769078308 XJLQJTJAAWJZBZ-UHFFFAOYSA-N 324.304 -0.433 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnccc1N(C)C 776180310 LWBLOFKTILOJNC-SECBINFHSA-N 313.383 -0.465 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 793456390 RXGKPYBZCXBAFY-UHFFFAOYSA-N 300.340 -0.554 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNc2cccnn2)C1 801067949 IETIOULEGJFMRQ-UHFFFAOYSA-N 300.344 -0.817 50 20 DBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)Cc1cc[nH]n1 814954387 DYMKHUOOUSRZQW-UHFFFAOYSA-N 315.399 -0.028 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@]1(C(=O)O)CCOC1 833473878 PZGLNTHXOPZCAW-RNCFNFMXSA-N 301.343 -0.598 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCNC2=O)cc1C 854261258 XKAIZLIOBHBRPA-LLVKDONJSA-N 318.333 -0.475 50 20 DBGD C[C@@]1(CNC(=O)CN2CCNCC2=O)C[C@@H]1Br 857007625 QJJXNYKRWBUGKJ-KWQFWETISA-N 304.188 -0.292 50 20 DBGD CCOC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 858367966 ZVBGKEXNTBJNIS-VIFPVBQESA-N 310.314 -0.416 50 20 DBGD O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)NNC(=O)NC2CC2)CN1 874194224 TZPQMDHHXACAEG-RNFRBKRXSA-N 308.260 -0.206 50 20 DBGD CCCNC(=O)NNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 921041637 GNJXYYSYPRTDEX-NXEZZACHSA-N 310.354 -0.098 50 20 DBGD CC(C)c1ocnc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116023602 JQBPNCQHSWMQJK-MRVPVSSYSA-N 315.351 -0.006 50 20 DBGD C[C@@H](NCC(=O)NNC(=O)C1CC1)c1nnc2ccccn12 1116578313 RPQLKWHPMGXLOF-SECBINFHSA-N 302.338 -0.063 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1118314082 LIRZRWHLQANYDD-IUCAKERBSA-N 301.310 -0.383 50 20 DBGD Cn1nncc1C=NNC(=O)C1CCN(c2ncccn2)CC1 1252657749 RYFJHRSAOYFLTK-UHFFFAOYSA-N 314.353 -0.028 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-n2cccn2)nc1 1320234386 DJYPPLAHAWDCEH-UHFFFAOYSA-N 314.305 -0.237 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cc(OC)ccc1OC 1322254326 QXFLEXQNOGKHHI-UHFFFAOYSA-N 311.294 -0.293 50 20 DBGD N[C@@H]1CCO[C@@H]([C@H]2CCCN(CC(=O)NNC(=O)C3CC3)C2)C1 1326538684 DOLHEEPASPAQEP-BFHYXJOUSA-N 324.425 -0.238 50 20 DBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326832426 JPFFGPGSSZWNDT-BDAKNGLRSA-N 323.353 -0.507 50 20 DBGD O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cn[nH]c3)CC[C@H]2N1 1329193937 SGWVKUBLNUHRDP-PSASIEDQSA-N 306.326 -0.635 50 20 DBGD O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)[C@H]1CCC(=O)N1 1330107548 DZQOVUBVTKMBEK-SNVBAGLBSA-N 316.317 -0.850 50 20 DBGD CSCCNC(=S)NNC(=O)c1nc2ncccn2n1 1334373449 LXRLYGSCSPJXJN-UHFFFAOYSA-N 311.396 -0.404 50 20 DBGD C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCC(=O)N1 1588998466 BAXCRHBJBMGZRH-CBAPKCEASA-N 316.325 -0.381 50 20 DBGD OB(O)c1cccc(CNCc2nc(-c3nn[nH]n3)cs2)c1 1593497553 BOKXHDPKZYJFSJ-UHFFFAOYSA-N 316.155 -0.707 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccn(CC(=O)O)n1 1594646131 VZNPARVHOXCWTF-JGVFFNPUSA-N 311.298 -0.455 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](B(O)O)C1 1606591367 NGXXTPVIBVWVSP-LLVKDONJSA-N 301.115 -0.516 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 15639407 IAZCXPHMPURGDE-NSHDSACASA-N 307.331 -0.246 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 49949900 JTTIQGWGRNFMOG-OIBJUYFYSA-N 308.294 -0.969 50 20 DBGD NC(=O)[C@H]1CCCN1CC(=O)NNC(=O)c1ccc(F)cc1 176224306 LRRPUFXQSJGXAC-LLVKDONJSA-N 308.313 -0.464 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)C1CC1 299242407 VQCTXCHFTFDRCP-UHFFFAOYSA-N 303.365 -0.416 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)NC1CC1 299248243 NUKQXDCFRZMQMP-BQBZGAKWSA-N 308.260 -0.064 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](CO)O1 319809112 XLYNGQVPNABMMD-AAEUAGOBSA-N 307.350 -0.471 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 495366724 HNRDAPYYLVWCMN-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD C[C@](O)(CNC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F 584968404 XCSKXHXWOHRZDT-JTQLQIEISA-N 309.024 -0.451 50 20 DBGD O=C(NC[C@H]1CCn2ccnc2C1)c1ccc(B(O)O)c(F)c1 584974408 OKRYAIPVCMYPOC-JTQLQIEISA-N 317.129 -0.306 50 20 DBGD COCCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCO[C@@H]1C 584981354 DVPLRZVTGBQXLN-RISCZKNCSA-N 307.155 -0.368 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584999514 VHOGCXXBMKSMFQ-RDBQEKCUSA-N 303.098 -0.469 50 20 DBGD COCCOCCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 728753179 YSFYTDVTEDLEKY-GFCCVEGCSA-N 323.415 -0.580 50 20 DBGD C[C@H](C#N)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 733885338 ZRILEEACSYWGPL-MRVPVSSYSA-N 309.351 -0.100 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cnc(C)nc1C 741463557 GUYKCQIRTXIRAL-SECBINFHSA-N 313.383 -0.129 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)Cn1cnc(C#N)n1 769678900 DYEBTIZRNGHHID-UHFFFAOYSA-N 314.305 -0.452 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)c3ncccc3O)nc21 771021329 QRBPGKJRVQQLBA-UHFFFAOYSA-N 301.266 -0.074 50 20 DBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)Cc1ccncc1 773049758 NZFNGEFDIQHARB-UHFFFAOYSA-N 307.354 -0.273 50 20 DBGD CSCCONC(=O)NNC(=O)CNC(=O)c1ccco1 792881816 KBXVORKJSUWZAZ-UHFFFAOYSA-N 316.339 -0.366 50 20 DBGD O=C(NCCCOC(F)F)NNC(=O)C(=O)N1CCCC1 802437769 SFZQRTFHWRXSFV-UHFFFAOYSA-N 308.285 -0.432 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNc2ccccc2C(N)=O)n[nH]1 809723504 JACKFFFPECMWHY-UHFFFAOYSA-N 316.321 -0.310 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 823993795 WCMSPBFDIJSJNM-JTQLQIEISA-N 315.395 -0.106 50 20 DBGD CCCONC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 828227599 URLWTAPGMCFJNU-UHFFFAOYSA-N 305.298 -0.052 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1=O 843648545 XWAMURAZXGOBNK-MXWKQRLJSA-N 313.354 -0.946 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 920433853 ZVNLFENLOLKZED-LLVKDONJSA-N 324.381 -0.453 50 20 DBGD Cc1n[nH]c(C)c1CCC(=O)NNC(=O)CN1CCCC1=O 920435063 BNKUQUXSPWBECE-UHFFFAOYSA-N 307.354 -0.271 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CSCC(=O)N1 932376791 MIXKWYRTYGBRJN-JTQLQIEISA-N 311.338 -0.253 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnc(N2CCCC2)n1 1117664817 LLZXPPPAOQHTOU-UHFFFAOYSA-N 320.353 -0.638 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)CN2C1 1263702059 AFXRCNPMKOQHLG-IJLUTSLNSA-N 310.398 -0.221 50 20 DBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)Cc2cccnc2)C1 1318704681 WHPNOLDZIAQONQ-ZDUSSCGKSA-N 320.397 -0.800 50 20 DBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1Cl 1342592516 SFEMMWJZSRIOAJ-UHFFFAOYSA-N 324.724 -0.065 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 1345595393 PFDBAGCVLNZTEV-QMMMGPOBSA-N 308.356 -0.302 50 20 DBGD CSCC[C@@H](N)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 1579377468 DISPIYKXGZDTHH-MRVPVSSYSA-N 320.415 -0.261 50 20 DBGD O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(B(O)O)cc1 1601422818 WHHIZOFHUIGQEO-AWEZNQCLSA-N 313.118 -0.208 50 20 DBGD O=C(O)Cc1cccc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 1602135326 VHZSTXMRTZEGHW-NSHDSACASA-N 308.290 -0.510 50 20 DBGD O=C(O)c1ccc(NNC(=O)c2cnn(C[C@H](O)CO)c2)nc1 1602384638 SXJMOLORHYSSSJ-JTQLQIEISA-N 321.293 -0.914 50 20 DBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1C 1605341799 MVOAMHSJJKDCRI-UHFFFAOYSA-N 323.305 -0.046 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(-c2nn[nH]n2)o1 1606853740 BXCIFNAXWLACEW-UHFFFAOYSA-N 314.265 -0.257 50 20 DBGD C=CCN(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1609056227 XNAJIKNWTLJRFC-UHFFFAOYSA-N 315.337 -0.255 50 20 DBGD CC(C)(C)N1CC[C@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 1776098599 QNVIXZBPPPUTEO-JTQLQIEISA-N 308.342 -0.314 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)c1ccc[nH]1 192628979 BUJAXGHNLCQODQ-UHFFFAOYSA-N 300.278 -0.715 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C1=O 265834319 VMGDSGBTTFIBHP-LBPRGKRZSA-N 319.365 -0.073 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ccccc1[N+](=O)[O-] 270250329 UOVYNNQVNRPWAR-UHFFFAOYSA-N 302.312 -0.023 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCC1(O)CCC1 285411320 MRAKXKOEOUQTHC-UHFFFAOYSA-N 324.337 -0.355 50 20 DBGD CC(C)CC(=O)NNC(=O)CNS(=O)(=O)c1cccnc1 289628585 VSFKWWVNRJABBE-UHFFFAOYSA-N 314.367 -0.447 50 20 DBGD CSCCNC(=S)NNC(=O)C[C@H]1CCCC(=O)N1 291688270 NPFGWBYHSMLSKA-MRVPVSSYSA-N 304.441 -0.097 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 291987377 VMKJPIANQOJISL-OAHLLOKOSA-N 320.349 -0.226 50 20 DBGD O=C(CN1CCSC[C@@H]1C(=O)O)NNC(=O)c1ccccc1 316867787 BGDPQPQHVBJHDY-LLVKDONJSA-N 323.374 -0.050 50 20 DBGD CCN1CCN(C[C@@H](C)CNCc2ccc(B(O)O)cc2)CC1 585022647 UXMOAZNAOMAPPC-HNNXBMFYSA-N 319.258 -0.270 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 725909709 LMSIVHLPCDIYCR-SECBINFHSA-N 301.306 -0.318 50 20 DBGD C[C@]1(NNC(=O)N[C@H]2CCN(C3CC3)C2)CCS(=O)(=O)C1 734279516 SWTGSOJKKOVIGS-GWCFXTLKSA-N 316.427 -0.396 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccccn1 748837682 GRALLFSRNITKEZ-SECBINFHSA-N 314.305 -0.381 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=S)NC[C@@H]1CCOC1 749725011 ZVJHZMPQTYWTGW-ZJUUUORDSA-N 305.400 -0.430 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(F)c1 764317180 IYMPPDVDTXRTNL-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD CSC[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 764344256 WFBJTHJKBDVHFQ-VIFPVBQESA-N 310.379 -0.042 50 20 DBGD COCCCNC(=O)NNC(=O)CN(C)[C@H]1CCSC1 766824217 HMQZFOMVSQCBEQ-JTQLQIEISA-N 304.416 -0.209 50 20 DBGD CSCCNC(=S)NNC(=O)C(C)(C)S(C)(=O)=O 770245673 IOCIZJBDDDQABH-UHFFFAOYSA-N 313.470 -0.332 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](SC)[C@H](N(C)C)C1 775999653 HZUOPWCLTJTKKQ-HBNTYKKESA-N 302.444 -0.090 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCC1(C)C 776140173 VNWTVJDPKCQAQK-IUCAKERBSA-N 305.400 -0.102 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)CS(C)(=O)=O)nc1C 778425637 CJGHADLIQQPMIS-UHFFFAOYSA-N 316.339 -0.551 50 20 DBGD O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)[C@@H]1COCCO1 823273325 JTCUHXUZZWXXBU-VIFPVBQESA-N 308.323 -0.206 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H]2CCc3nnnn3CC2)n1 845700650 VPTGXLWEDMOBCV-VIFPVBQESA-N 318.341 -0.124 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N1CCN(C)C(=O)C1 846710481 CTOWUODIZJABMI-UHFFFAOYSA-N 306.322 -0.176 50 20 DBGD O=C1CC[C@@H](C(=O)NNc2ncc(Br)cn2)N1 848320432 UWFYCVYMCXNGHZ-LURJTMIESA-N 300.116 -0.039 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cc[nH]n1 855359489 UCIMQSMXEMTMBI-VIFPVBQESA-N 317.305 -0.188 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CN1CC(=O)N(C)C1=O 858153131 HSEIJHUEVCYOGP-UHFFFAOYSA-N 304.306 -0.350 50 20 DBGD CC(C)[C@@H](O)C1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 858697293 RGMONDZXMKBPBO-GXSJLCMTSA-N 312.370 -0.608 50 20 DBGD C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858700461 MCSULBRVJWQEGM-WOPDTQHZSA-N 323.397 -0.436 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cnn(CC(F)F)c2)N1 860677346 IWRPYDLVOWGJLJ-ZETCQYMHSA-N 316.268 -0.421 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccc(C(F)(F)F)nn2)C1=O 901201786 UTFTVOVZLFUOFG-QMMMGPOBSA-N 319.243 -0.204 50 20 DBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)[C@H]1CCSC1 913731495 KVERQLZZEBISDX-JTQLQIEISA-N 314.411 -0.807 50 20 DBGD CN1CCN(C(=O)CN(C)S(=O)(=O)CCCCl)CC1 919321040 MCOCTBWUHQHYMQ-UHFFFAOYSA-N 311.835 -0.349 50 20 DBGD O=C(COC1CCCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886883 VZGDWYIFJXGABL-SECBINFHSA-N 319.383 -0.537 50 20 DBGD CCOCC1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1256580530 HINSYUNNFVDJMA-UHFFFAOYSA-N 306.322 -0.016 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccnc(-n2cccn2)c1 1318876948 MCBBYCYZGOVXRM-UHFFFAOYSA-N 318.293 -0.729 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1ccccn1 1351152396 JCOGBQQQFXJWSO-DGCLKSJQSA-N 303.366 -0.840 50 20 DBGD N#CSCCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CNC[C@H]12 1580056662 XZUIWPWCGLXRJC-MXWKQRLJSA-N 317.436 -0.270 50 20 DBGD C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCC(=O)N1 1588998472 BAXCRHBJBMGZRH-VXNVDRBHSA-N 316.325 -0.381 50 20 DBGD COC(=O)c1ccc(N2CC[C@H](B(O)O)C2)c(-c2nn[nH]n2)n1 1591293414 DNWHKPWIZULPSD-ZETCQYMHSA-N 318.102 -0.899 50 20 DBGD Cn1cc(-c2nn[nH]n2)c(NC(=O)NNC(=O)CC2CC2)n1 1592560498 HXBTWRJJPBIVFD-UHFFFAOYSA-N 305.302 -0.447 50 20 DBGD O=C(NNC(=O)C(=O)O)NC1CCN(C(=O)c2ccoc2)CC1 1601552655 CMFUUUHDBVZBBO-UHFFFAOYSA-N 324.293 -0.701 50 20 DBGD CONC(=O)CNC(=O)NNc1ccc(C(=O)O)cc1F 1606996184 LKRVGDNKCHSOED-UHFFFAOYSA-N 300.246 -0.172 50 20 DBGD C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Cl)CCO2 1783519203 LIVAKSLPUURELN-YGOYTEALSA-N 308.737 -0.269 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@@H]1CCOC1 178757343 PDKRUKXZSBGHIP-SNVBAGLBSA-N 303.322 -0.004 50 20 DBGD O=C1CN(CCNC(=O)NNC(=O)c2ccccc2)CCN1 273054888 XVFGJSCPQVOHTE-UHFFFAOYSA-N 305.338 -0.938 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)ccc1F 273502683 PMCPCYSOLLIZHW-LURJTMIESA-N 321.305 -0.337 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H](F)C(F)(F)F 290560747 QSUHSSCLYWBNNF-MRVPVSSYSA-N 322.218 -0.141 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)NC1CC1 299248247 NUKQXDCFRZMQMP-RQJHMYQMSA-N 308.260 -0.064 50 20 DBGD CN(C)CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 492131409 JEERUIADNUPVKI-UHFFFAOYSA-N 303.363 -0.597 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NN(C)C(=O)OC)CC1 495626382 PRNBPNFDBGBFBW-UHFFFAOYSA-N 307.372 -0.223 50 20 DBGD Cc1nc([C@@H]2CCCN(C(=O)c3ccc(B(O)O)cc3)C2)n[nH]1 584971038 JTUHEAKDNBSYOK-GFCCVEGCSA-N 314.154 -0.187 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@H]1[C@@H]1CCCO1 584988562 PZMUDRQKBBAGBQ-KGLIPLIRSA-N 305.139 -0.614 50 20 DBGD O=S1(=O)CCCC[C@@H]1CNCc1ccc(B(O)O)cc1F 585034686 LMQRBKTYXUBQBC-GFCCVEGCSA-N 315.175 -0.438 50 20 DBGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)CN(C)C)cc1 727650283 YMVUDAKHIUZUHM-UHFFFAOYSA-N 312.395 -0.004 50 20 DBGD Cn1c(N)c(C=NNC(=O)NC2CCCC2)c(=O)n(C)c1=O 749814827 GRYBPRRYVOLYKE-UHFFFAOYSA-N 308.342 -0.758 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN2c2ncccn2)n[nH]1 763133708 AINHUSVXNMJMML-NSHDSACASA-N 315.337 -0.062 50 20 DBGD NC(=O)NCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 765569364 GPHLXEFBEHOBRB-UHFFFAOYSA-N 308.323 -0.433 50 20 DBGD CN(NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)C(N)=O 770436321 FDKAHWUTQPGQBU-JTQLQIEISA-N 304.310 -0.852 50 20 DBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccn2)ccn1 776312798 PJIAQYDINRYVJG-UHFFFAOYSA-N 321.318 -0.801 50 20 DBGD C#CCOCCNC(=O)NNC(=O)COc1ccccc1O 784546380 UDHMZXQSPYVREO-UHFFFAOYSA-N 307.306 -0.249 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)CO)cc1N1CCNC1=O 786390286 QLYZPSGFXXCEEH-UHFFFAOYSA-N 307.310 -0.330 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc(N2CCNC2=O)ccc1F 787951427 VCQFJIPLSFGQRJ-UHFFFAOYSA-N 324.312 -0.113 50 20 DBGD COc1cccc(C2=NO[C@@H](C(=O)NNC(=O)CN(C)C)C2)c1 792637470 GPKAJGYOOJNTRG-CYBMUJFWSA-N 320.349 -0.103 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cncc(F)c1 799234033 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O=C(N[C@H]1CCCCC12OCCO2)c1ccc(B(O)O)cc1 863876319 VAMXFNJXBVMMGA-ZDUSSCGKSA-N 305.139 -0.218 50 20 DBGD COc1nn(C)cc1C(=O)NNC(=O)Cn1nc(C)cc1C 883955692 HAJGLJLIQGKSDA-UHFFFAOYSA-N 306.326 -0.297 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 915261940 JSYJUUIDWXIEOA-SKDRFNHKSA-N 321.333 -0.112 50 20 DBGD CNC(=O)c1cccc(C(=O)NNc2ncnc3[nH]cnc23)n1 1116283816 BRYCMJLNJVOIEN-UHFFFAOYSA-N 312.293 -0.136 50 20 DBGD Cc1cnn(CC(=O)NNC(=O)C(=O)Nc2ccccn2)c1 1252894125 FNIWBNVLLJYDTH-UHFFFAOYSA-N 302.294 -0.627 50 20 DBGD O=C(Cc1nc2ncccn2n1)NNC(=O)NC1CCCC1 1318039535 FBWXEBAXSYNTHO-UHFFFAOYSA-N 303.326 -0.060 50 20 DBGD CC(C)(C)n1nnc(C=NNC(=O)C(=O)Nc2ccccn2)n1 1328536265 DJYNMAWUBIIBJP-UHFFFAOYSA-N 316.325 -0.088 50 20 DBGD C[C@@H](NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1329058563 BQIQRMKAENIKDD-HTQZYQBOSA-N 317.333 -0.323 50 20 DBGD Cc1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1331518800 FXBHKJOYDDMHDZ-MRVPVSSYSA-N 311.367 -0.131 50 20 DBGD 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CCc1ccccc1OCC(=O)NNC(=O)NCC#CCO 923790546 YIUWTEGSHVDKAT-UHFFFAOYSA-N 305.334 -0.046 50 20 DBGD CNC(=O)NNC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1116098933 LDPNYVLKCYOVJQ-UHFFFAOYSA-N 312.351 -0.604 50 20 DBGD COc1cc2c(cc1NC(=O)C(=O)NNC(C)=O)NC(=O)CC2 1320284833 GLIIQPDPMKSNBY-UHFFFAOYSA-N 320.305 -0.314 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc(C(C)C)nc1 1321089058 LYQYQSBRYSOQQN-UHFFFAOYSA-N 309.326 -0.278 50 20 DBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)C2CCC2)CC1 1321848412 FQEWGGYYMGQYFF-UHFFFAOYSA-N 318.399 -0.890 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCc3c[nH]nc3C2)cn1 1323813839 MZYDVOSSJGDYKA-SNVBAGLBSA-N 303.326 -0.355 50 20 DBGD O=C(NNC(=O)c1ncnc2ccsc12)C(=O)NC1CC1 1329459540 FOMUDYKROKJQTQ-UHFFFAOYSA-N 305.319 -0.269 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1COc2c(C)cccc2C1 1330070787 SVAKWYXJYJFZJY-SNVBAGLBSA-N 307.306 -0.198 50 20 DBGD O=C(NCCOC[C@@H]1CCOC1)NNC(=O)C1CCOCC1 1330830871 HDCDAPYHRYWMFJ-LLVKDONJSA-N 315.370 -0.204 50 20 DBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)C1CCOCC1 1334331824 WVGRUFGYCRUIKN-CYBMUJFWSA-N 313.379 -0.374 50 20 DBGD CN(C)N(C(=O)[C@H]1NCc2n[nH]cc21)[C@H]1CCS(=O)(=O)C1 1578420165 AVOWQTSOOVMTHM-KWQFWETISA-N 313.383 -0.954 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1-c1nn[nH]n1 1592128459 HJYHEDYUTNHJKF-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNC(=O)CC1CC1 1592913803 IRWLHWCVCZKEQD-UHFFFAOYSA-N 301.310 -0.248 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 1601635338 DMGWBYGJFIQBIA-UHFFFAOYSA-N 319.195 -0.124 50 20 DBGD O=C(NCc1ncc(C(=O)O)s1)NNC(=O)c1cccnn1 1608475917 VJSOIVCPMNQSQA-UHFFFAOYSA-N 322.306 -0.225 50 20 DBGD O=C(O)Cc1ccc(NNC(=O)CN2C(=O)CNC2=O)cc1 1608781258 VJOXXZGJVFMWJX-UHFFFAOYSA-N 306.278 -0.691 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)NC1CC1 8392646 QZKHCEGWQQVVOW-UHFFFAOYSA-N 307.306 -0.500 50 20 DBGD CCOc1ccc(OCC(=O)NNC(=O)C(=O)NC2CC2)cc1 8393010 DEZCWRNPHHLVJU-UHFFFAOYSA-N 321.333 -0.110 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)c1ccccc1O 61477167 JFECJZKSSGKUND-UHFFFAOYSA-N 321.333 -0.208 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 113425656 NGAWVZWJCPKFGR-UHFFFAOYSA-N 302.338 -0.351 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H]2CO)n1 118400653 VSRXVLGNFTVLRZ-JTQLQIEISA-N 312.395 -0.402 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccsc1 264163609 TZALGTYVZFJWTC-QMMMGPOBSA-N 319.408 -0.234 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)c1ccccn1 270787615 VYPXLIIWWAFNOP-UHFFFAOYSA-N 300.340 -0.876 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1(NC(N)=O)CC1 270966296 SCIBASPOWQMMPI-MRVPVSSYSA-N 324.312 -0.059 50 20 DBGD CN(NC(=O)CCOc1ccc(S(C)(=O)=O)cc1)C(N)=O 272228632 VGDRFHUIVNOJPH-UHFFFAOYSA-N 315.351 -0.099 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)o1 272644715 MASRZNYGFUBYQS-KCJUWKMLSA-N 309.322 -0.375 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 276173031 BLVZUBIQMIHGNZ-UHFFFAOYSA-N 303.322 -0.142 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C(F)(F)C1(O)CCCC1 284129412 AJDFEHNIOCSIKO-UHFFFAOYSA-N 307.297 -0.401 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 291782585 WYGYRVULYMJVOR-AWEZNQCLSA-N 309.322 -0.028 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCCC2)NN=c1cc[nH]cc1 365007891 BHROPFYGLUNVLL-UHFFFAOYSA-N 302.338 -0.269 50 20 DBGD CC(C)(CNC(=O)c1cccc(B(O)O)c1)N1CCOCC1 584925014 QAGBQLICXLMIHH-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(B(O)O)c(F)c1 584992597 NKTQISJYSJNLNR-SNVBAGLBSA-N 324.161 -0.212 50 20 DBGD COc1ncc(C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 733929697 HNGARFNUNRYKBU-UHFFFAOYSA-N 319.277 -0.731 50 20 DBGD C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cnn(C)c2)C1 739672701 ZSXBYRSKVVXPLI-UWVGGRQHSA-N 315.399 -0.123 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCCS(=O)(=O)CC1 744400267 FSNLYAYQVHNQRE-UHFFFAOYSA-N 305.400 -0.700 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(OCC(=O)N(C)C)cc1 755645503 HEOVATMRLBEYJU-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD COCC(=O)NNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 764299290 FOEGXKUGWBOYFE-VIFPVBQESA-N 307.306 -0.406 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 764429375 QXWYNYZLMYOBJX-UHFFFAOYSA-N 321.211 -0.337 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCN(C)C2=O)cc1OC 771861725 ZGRWSWLNXOGSAY-SNVBAGLBSA-N 321.333 -0.057 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)O[C@@H](CO)C2)cc1 787314249 FAMQCPQWMCGCIR-TZMCWYRMSA-N 321.377 -0.162 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)COc1ccc(C#N)cc1 789870067 ZBURZJMYBSROGB-UHFFFAOYSA-N 300.278 -0.175 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)N2CCN(C)CC2)nn1 790178918 OOYJRXFWTLMYQA-UHFFFAOYSA-N 323.357 -0.868 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)o1 802027930 CKDBWWKKSWOIEP-UHFFFAOYSA-N 324.318 -0.034 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 832691373 HLXUKEXXEDCZPK-SCZZXKLOSA-N 322.321 -0.399 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)CNC(C)=O 845255252 SMVSWGSPONQLOH-MRVPVSSYSA-N 301.343 -0.362 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CC[C@H]2C(N)=O)nc1C 847673389 FRZZWFAUTIBWCT-BDAKNGLRSA-N 321.337 -0.084 50 20 DBGD COCCN(C)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 848378162 JRTQBBNOCVWDAQ-OAHLLOKOSA-N 320.349 -0.036 50 20 DBGD CCOC(=O)[C@H](N)C(=O)NNc1nc(-c2cccnc2)no1 852865103 RJHNHPYNEBJECO-MRVPVSSYSA-N 306.282 -0.535 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)N2CCN(C)CC2)nc1 854379305 WPWKDJOTMNVXAO-UHFFFAOYSA-N 321.337 -0.530 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCCCS2)N1 858402978 PUHBSQJKLABXRD-BDAKNGLRSA-N 300.384 -0.119 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@@H](O)c2ccccc2F)N1 858694378 NFOWTJVKMUEXMH-GHMZBOCLSA-N 324.312 -0.532 50 20 DBGD CC1=C(C(=O)NN=c2cc[nH]c(C)c2)Cn2nnnc2N1C 862512001 GQUOCMMZEZFROA-UHFFFAOYSA-N 300.326 -0.334 50 20 DBGD COC(=O)C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C1CC1 863876487 CVMLAFPDWXASST-GFCCVEGCSA-N 309.102 -0.423 50 20 DBGD COCC(=O)NNC(=O)Nc1cc(Br)nn1C 879644316 XEMANBHHBRQFCW-UHFFFAOYSA-N 306.120 -0.018 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 910183951 VXJOIMOZAMOMIX-SNVBAGLBSA-N 315.395 -0.106 50 20 DBGD O=C(CN1C(=O)COc2ccccc21)NNC(=O)c1cc[nH]n1 918687973 FLMLQUUTNNISJF-UHFFFAOYSA-N 315.289 -0.404 50 20 DBGD Cc1noc(CCC(=O)NNC(=O)CNC(=O)c2ccco2)n1 1115937877 SGXBKWVTQLAEAN-UHFFFAOYSA-N 321.293 -0.519 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCOC2(CCC2)C1 1253201619 YUZQVJNQBWWXGU-JTQLQIEISA-N 310.354 -0.303 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 1256009043 FABKPIZIMYFGLU-UHFFFAOYSA-N 320.227 -0.431 50 20 DBGD Cc1nnc(NNC(=O)c2ccc3c(c2)NC(=O)CO3)nc1O 1317760763 UGSRAQHTJKGDEA-UHFFFAOYSA-N 316.277 -0.027 50 20 DBGD CO[C@@]1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCOC1 1320251646 NZEAUOJCSOWBJO-NWDGAFQWSA-N 321.399 -0.827 50 20 DBGD Cc1ncnc(O)c1CCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1326673763 AOLCRLMQRFKCNG-GXSJLCMTSA-N 308.338 -0.004 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCSCC(F)(F)F 1341603888 BUNXDJKGHZSDFL-UHFFFAOYSA-N 303.262 -0.215 50 20 DBGD Cc1nn(C)c2ncc(C=NNC(=O)CS(C)(=O)=O)cc12 1348412841 ZLYICTKNEDALSZ-UHFFFAOYSA-N 309.351 -0.229 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](B(O)O)C2)c(C)o1 1351729918 QMSKCELHCDKZHU-QMMMGPOBSA-N 316.144 -0.815 50 20 DBGD N#CC1=CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 1433869952 CKLBZDSXESFCKQ-SNVBAGLBSA-N 302.294 -0.318 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2 1574163182 HIZZBCSJUNOMHV-PKFCDNJMSA-N 314.338 -0.312 50 20 DBGD C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cn1)NC(N)=O 1574507427 IUFFVISTPJZQBT-ZCFIWIBFSA-N 305.302 -0.848 50 20 DBGD CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN 1579377713 RWLMEGRURAAYJH-MRVPVSSYSA-N 320.415 -0.261 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CCC(O)(C(=O)O)CC2)cn1 1600946851 PWKBUSSJXSBPLQ-IZZDOVSWSA-N 304.306 -0.235 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 1604435682 XZTPVAFYLLPHPP-QMMMGPOBSA-N 318.232 -0.095 50 20 DBGD Cc1csc(C(=O)O)c1NC(=O)C(=O)NNC(=O)CCO 1610545042 NFKYSUPQNGUICL-UHFFFAOYSA-N 315.307 -0.777 50 20 DBGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN 1795972465 CDBJZOFNQILYOP-VLEAKVRGSA-N 303.790 -0.163 50 20 DBGD O=C(C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1)C1CC1 1841348362 QBZZRZYBOANQTB-JTQLQIEISA-N 314.769 -0.231 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 8391364 VQBZWIMLPIECSY-SNVBAGLBSA-N 318.333 -0.002 50 20 DBGD CCOC(=O)NNC(=O)c1ccc(OCC(N)=O)c(OC)c1 52539033 YTQVLQAZTHNNHT-UHFFFAOYSA-N 311.294 -0.050 50 20 DBGD C[C@@H](CN1CCOCC1)NS(=O)(=O)CBr 126703234 SFHKWTBGZLWYNV-QMMMGPOBSA-N 301.206 -0.021 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCO[C@@H](C#N)C1 137215330 GLVICZOIWNSHOM-AWEZNQCLSA-N 316.361 -0.091 50 20 DBGD Cc1nc2c(c(C)c1CC(=O)NNC(=O)C1CC1)c(=O)[nH]n2C 264076591 HOWMLJSSNWGRLW-UHFFFAOYSA-N 317.349 -0.022 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@]2(O)CCSC2)cc1 270821354 RTWPQTXMHFWJEV-AWEZNQCLSA-N 321.358 -0.048 50 20 DBGD CNC(=O)[C@@]1(C)CCN(C(=O)NNC(=O)Cc2cccnc2)C1 280428228 CCHGRCHJZPZTTI-HNNXBMFYSA-N 319.365 -0.177 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1COCCO1 298424184 HBBGPVDBUPEYFE-GFCCVEGCSA-N 309.322 -0.330 50 20 DBGD O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cc(B(O)O)ccc1F 584929130 IEWXJIAXQGTRIW-KBPBESRZSA-N 306.146 -0.138 50 20 DBGD CC(=O)NC[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584937822 CNJVUJWDRJQFAN-LLVKDONJSA-N 322.145 -0.506 50 20 DBGD C[C@@H](CCNC(=O)c1ccc(B(O)O)c(F)c1)[S@@](C)=O 584962631 JGIITTQFOWXCHD-FFVOIRBGSA-N 301.148 -0.608 50 20 DBGD O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cccc(B(O)O)c1 584963908 FFNIDHSZXUBWRB-AWEZNQCLSA-N 319.166 -0.176 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H]1[C@H](O)C(F)(F)F 584965943 WHCZZLADPSRJHL-QWRGUYRKSA-N 317.072 -0.106 50 20 DBGD O=C(c1cccc(B(O)O)c1)N(CCOCCO)C1CCC1 585009327 XFNZYSZBGKYZKN-UHFFFAOYSA-N 307.155 -0.630 50 20 DBGD O=C(NCCc1nc(-c2ccc(B(O)O)cc2)no1)C1CCC1 585051060 SLXKYKVWEAUBMR-UHFFFAOYSA-N 315.138 -0.125 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCNC(=O)c1ccco1 726614150 PATVIBUDWLUFEK-UHFFFAOYSA-N 310.310 -0.929 50 20 DBGD NC(=O)COc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1 732256342 ASRKWTGRUCCIFI-UHFFFAOYSA-N 302.290 -0.046 50 20 DBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccn1 733252008 AHXGYSUITVYSKS-SNVBAGLBSA-N 314.367 -0.584 50 20 DBGD CNC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)O)C1 739748379 KIBXYAOONIPFFX-JTQLQIEISA-N 305.294 -0.334 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCCN1C 748624749 JXCXNQVHNJNWNY-WDEREUQCSA-N 302.375 -0.538 50 20 DBGD N#CCCSc1ccccc1NC(=O)C(=O)NNC(=O)CO 764421655 PVHVNPRVQGNINY-UHFFFAOYSA-N 322.346 -0.229 50 20 DBGD C[C@H](O)C[C@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 767028892 HQYNGMNFHFDXHD-QWRGUYRKSA-N 301.387 -0.348 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN(CCO)C1CCOCC1 781982308 JURLTGIIYTWXLF-UHFFFAOYSA-N 301.387 -0.347 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@]2(CCO[C@@H]2C)O1 790396929 SZPLQZVDWLAAAN-HFAKWTLXSA-N 311.382 -0.188 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1nc2ccccn2n1 791261643 JSPUPJQWRCCCCO-KWQFWETISA-N 318.337 -0.552 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CCc2nncn2C1 793271649 ODWHJDJVSIPQDS-QMMMGPOBSA-N 314.440 -0.301 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801107408 VWPDCQWIFYQJAT-AWEZNQCLSA-N 309.322 -0.522 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)CCn2cnccc2=O)n1 816047218 ZPPSKJJOSFRDOA-UHFFFAOYSA-N 309.717 -0.198 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NCC(Cl)Cl 819794562 MLXODJUXZZHQJH-UHFFFAOYSA-N 307.199 -0.138 50 20 DBGD CCn1c(NNC(=O)[C@@H]2CCNC2=O)nc2ccccc2c1=O 820692645 RGXRBGWBGOIQMO-SNVBAGLBSA-N 315.333 -0.004 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cccnc1 826123763 VRULOPDXDWPAIF-VIFPVBQESA-N 314.367 -0.901 50 20 DBGD CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)CCl 830845229 KAWLFBYJFAWIBY-JGVFFNPUSA-N 304.821 -0.180 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)ncc1C(N)=O 843656208 AFWQUAXWQKIXAW-RKDXNWHRSA-N 306.322 -0.325 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](CN2CCCC2=O)C1 852680410 UTMIDHAVUKMPRR-VXGBXAGGSA-N 310.398 -0.123 50 20 DBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)[C@@H]1COc2ccccc2O1 854179903 HYYORTRAIRXDLH-KCJUWKMLSA-N 305.290 -0.748 50 20 DBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)C1CC1 859366958 VLEAFCBFHLJIRT-UHFFFAOYSA-N 301.368 -0.864 50 20 DBGD COC(=O)N1CCC(CNC(=O)c2ccc(B(O)O)cc2)CC1 863883301 VLFNCIINQYLSMH-UHFFFAOYSA-N 320.154 -0.425 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2nc3ccccc3n2C)C1=O 863915140 BHZYHGDCWJJOEA-UHFFFAOYSA-N 316.321 -0.090 50 20 DBGD CN(C)CCc1cn(CC(=O)NNC(=O)c2ccccc2)nn1 880996937 MAIANHSYGCDVGU-UHFFFAOYSA-N 316.365 -0.157 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 916562796 ZIUXJXDYJBFMTE-SNVBAGLBSA-N 320.349 -0.086 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)N=c1cc[nH]cc1 1117721880 AMRYTJGXVFYCPC-UHFFFAOYSA-N 305.298 -0.999 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCc2cccc(C(N)=O)c2)cn1 1252357375 YVLFHFVOVZUEQM-UHFFFAOYSA-N 316.321 -0.337 50 20 DBGD O=C(CC1(O)CCCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1252383128 LCAQTDXUQBGODH-SECBINFHSA-N 304.368 -0.736 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1Cl 1320710875 JKBQMKOIPSEKGT-UHFFFAOYSA-N 324.680 -0.529 50 20 DBGD COc1ccc(C(=O)NNC(=O)Cn2ncn(C)c2=O)cc1 1337380019 DNYPAIUODKFVPP-UHFFFAOYSA-N 305.294 -0.948 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@]1(CO)CCCNC1 1575523173 SQBCWMZXIMIRSE-BXUZGUMPSA-N 300.403 -0.728 50 20 DBGD C[C@](O)(C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 1590011279 LIIMUSIXYZWMRY-CQSZACIVSA-N 316.321 -0.211 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)O 1598884334 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COCCN1C[C@@H](C(=O)NNc2nccnc2OC)CC1=O 274052110 HFCZTMOPOMEDMQ-VIFPVBQESA-N 309.326 -0.577 50 20 DBGD O=C(C[C@H]1CCCO1)NNC(=O)c1ccc(-n2cnnn2)cc1 298656968 HABMHAHYNUEXOC-GFCCVEGCSA-N 316.321 -0.008 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n1cncn1 494458454 ZQKVJEDTIRCSDV-QMMMGPOBSA-N 312.330 -0.489 50 20 DBGD CCN1CCN(CCCNC(=O)c2cccc(B(O)O)c2)CC1 584928179 FMFFOPSUBIRYRK-UHFFFAOYSA-N 319.214 -0.876 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](N2CCCC2)C1 584940178 QQPKBFWHFUYCSU-LBPRGKRZSA-N 306.146 -0.184 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)N1CCCCC1 584943674 KFNLOKUTBDGDCE-JTQLQIEISA-N 322.145 -0.364 50 20 DBGD C=CCNC(=O)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584944748 MXOGRXRIBVZDPV-CYBMUJFWSA-N 320.129 -0.588 50 20 DBGD CN(C)C1(CNC(=O)c2ccc(B(O)O)cc2)CCOCC1 584947173 HYXXVYHUUVMRBC-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@]2(CCOC2)O1 584982745 IBEMBLMLOLIJJZ-IAQYHMDHSA-N 305.139 -0.614 50 20 DBGD OC[C@@H](CNCc1ccccc1B(O)O)CC1CCOCC1 585039330 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COC(=O)[C@H](C)n1cccc1C=NNC(=O)C(=O)NC1CC1 774590229 TUPDHOPNGBDZKU-VIFPVBQESA-N 306.322 -0.049 50 20 DBGD O=C(NCCNC(=O)c1cc[nH]n1)NNc1ccc(Cl)nn1 780050146 GULVCHREKIUKET-UHFFFAOYSA-N 324.732 -0.091 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)n1 787440077 HQACRZGGBXAGED-UHFFFAOYSA-N 314.309 -0.164 50 20 DBGD CC(=O)NNC(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 787863561 DEDPBGZCLFGMSL-UHFFFAOYSA-N 306.282 -0.451 50 20 DBGD C#Cc1cc(F)c(NC(=O)C(=O)NNC(=O)COC)c(F)c1 802567836 YXYRLEFGYVYLGM-UHFFFAOYSA-N 311.244 -0.322 50 20 DBGD COc1cc(C)nc(NNC(=O)COCc2nncn2C)n1 815739824 MDGJMVJRVZQCBP-UHFFFAOYSA-N 307.314 -0.418 50 20 DBGD O=C(NNC(=O)c1ccccc1O)c1ccc(-c2nn[nH]n2)[nH]1 826444968 AYLVIAPLXGNVPC-UHFFFAOYSA-N 313.277 -0.025 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@]1(O)CCSC1 854385658 BQHCZIZPDMDUJT-GFCCVEGCSA-N 306.384 -0.209 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1 858974152 RDSSLLBKWFXZIZ-IUCAKERBSA-N 302.331 -0.706 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccc(F)cc2F)N1 863413167 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APFKRTBCKXMWBX-UHFFFAOYSA-N 321.297 -0.017 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ncnc2[nH]cnc12 743473377 PDTIKBMSQOWOCS-UHFFFAOYSA-N 317.269 -0.091 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(C)(C)CO)CC1 747840510 OXKRBYVCRAOVDX-LLVKDONJSA-N 300.403 -0.679 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)C(N)=O 748005834 BUIKUSLQWXMQOB-JTQLQIEISA-N 309.282 -0.582 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1cc(Cl)nc(C)n1 748340713 ZGFSWWZKYHVKPR-UHFFFAOYSA-N 322.774 -0.057 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)Cn1ccnc1 748454274 QYVKQSWOZHQSIS-WDEREUQCSA-N 313.358 -0.347 50 20 DBGD Cn1c(N)c(C=NNC(=O)c2ccccc2O)c(=O)n(C)c1=O 749808660 XTCVDGSONNDNBC-UHFFFAOYSA-N 317.305 -0.864 50 20 DBGD COCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 753361478 RVEFFBCYPGEMNZ-LLVKDONJSA-N 324.289 -0.837 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)COC)cc1 756640170 KJTNBYGAXFMYOM-UHFFFAOYSA-N 316.339 -0.606 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN[C@@H](CO)C2CC2)n1 771810389 YNKCTLCHPIASEZ-JTQLQIEISA-N 312.395 -0.498 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cnn(CCOC)c1 782477923 CQEWENDOOYMNNW-UHFFFAOYSA-N 305.360 -0.616 50 20 DBGD NC(=O)c1ccccc1NCC(=O)NNC(=O)Cc1cc[nH]n1 809667650 LEEKBQLRMYFIJS-UHFFFAOYSA-N 316.321 -0.689 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cn(C)nc2C2CC2)CC1 819935021 PEKQSWOQXBNBJW-UHFFFAOYSA-N 306.370 -0.101 50 20 DBGD CCN(CCO)NC(=O)[C@@H](C)Sc1nnnn1C1CC1 823852999 WIKSZBYJJLNATE-MRVPVSSYSA-N 300.388 -0.166 50 20 DBGD CON1CCC(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1 826984784 QSLFFBJXECNXLP-GXSJLCMTSA-N 300.359 -0.232 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1cc(Cl)nc(N)n1 831988764 SXIKPTMPFCOPNO-RXMQYKEDSA-N 322.778 -0.517 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2cncn2)nc1 843974789 OXFJPOIZERGJTC-ONGXEEELSA-N 316.321 -0.152 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 844352618 ZKICGLJGVOAMKJ-UHFFFAOYSA-N 303.322 -0.451 50 20 DBGD O=C(NNC(=O)[C@H]1CCNC1=O)[C@@H]1COc2ccccc2O1 854180619 NUFBTIJVVVEVFJ-KWQFWETISA-N 305.290 -0.890 50 20 DBGD CS(=O)(=O)CCCC(=O)NNC(=O)c1cccc(F)n1 856424692 RBTJRPRJECYFJF-UHFFFAOYSA-N 303.315 -0.194 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 858125907 PKIZIPKNHZCVQQ-SECBINFHSA-N 322.394 -0.546 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCc2ccc(O)cc2)N1 858696396 KQFDMGBMHRCFTO-LBPRGKRZSA-N 320.349 -0.066 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc3ncnn3c2)N1 861165630 OVHHVLBANUMGLY-QMMMGPOBSA-N 303.282 -0.839 50 20 DBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862460862 KOAMYHIJRZMNFZ-NRPADANISA-N 314.342 -0.817 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(O)n1 862461404 OXJCNIXDRSUCLS-SECBINFHSA-N 306.322 -0.050 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1coc(C2CCC2)n1 863465025 QBSKKYZOMUDKPB-UHFFFAOYSA-N 301.324 -0.252 50 20 DBGD O=C(N[C@@H]1CCCCC12OCCO2)c1ccc(B(O)O)cc1 863876318 VAMXFNJXBVMMGA-CYBMUJFWSA-N 305.139 -0.218 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(N2CCOC2=O)CC1 863885503 KENQVKGVQSQWOO-UHFFFAOYSA-N 318.138 -0.577 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnn(CCN(C)C)c1 869068212 NYMBWAJLFBHWFB-JQWIXIFHSA-N 309.370 -0.369 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@]1(O)CCc2ccccc2C1 869904684 FDLYHKCFXACWEZ-MRXNPFEDSA-N 322.361 -0.283 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NNC(=O)NC2CC2)C1 900385316 XNYWGYOTQUHAFQ-JTQLQIEISA-N 312.370 -0.246 50 20 DBGD CNC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 919879282 ZAXNHQVCRHQGSW-JTQLQIEISA-N 322.300 -0.794 50 20 DBGD COc1ccc(O)c(C(=O)NNC(=O)CN2CCCC2=O)c1 920434173 RVWRAXCKAVBVCG-UHFFFAOYSA-N 307.306 -0.216 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2ncccc12 1115884271 MVUUZGZCYVNOSU-MRVPVSSYSA-N 322.346 -0.241 50 20 DBGD COC[C@@H]1COCCN1C(=O)NNC(=O)Cc1cccnc1 1121944845 SKWDFYRIPHCDHO-GFCCVEGCSA-N 308.338 -0.288 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCCNC(N)=O 1261501508 DDKFSBJBQIIIMF-ZJUUUORDSA-N 300.359 -0.213 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc(C(=O)OC)cn1 1320499433 FSXIBRGIDNWTFA-SSDOTTSWSA-N 324.293 -0.634 50 20 DBGD CCOC(Cn1cc(C(=O)NNC(=O)OC)nn1)OCC 1323971003 IFUAICPJNHNUCV-UHFFFAOYSA-N 301.303 -0.322 50 20 DBGD Cn1nc(C(=O)NNC(=O)CS(C)(=O)=O)cc1C1CC1 1330167520 CSXOJMFDUALQJK-UHFFFAOYSA-N 300.340 -0.897 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)c1cnn(C)c1 1339203871 DQAFBKWDLIBLKW-UHFFFAOYSA-N 307.270 -0.706 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)c2cnn(C)c2)nc1C 1341494384 OLAGPQURICWFIE-UHFFFAOYSA-N 312.355 -0.432 50 20 DBGD CCNC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cn[nH]c2)C1 1348110258 FSWNDOMNPUDZQO-VIFPVBQESA-N 309.330 -0.843 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)N1CCN(C)CC1 1349881501 PNMISVJVKUWMNJ-NSHDSACASA-N 308.386 -0.405 50 20 DBGD CCN1CC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1590731155 IYMYOAKDEDCTBS-LLVKDONJSA-N 315.337 -0.278 50 20 DBGD O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CC[C@H](B(O)O)C1 1593458529 WPGSWLSQNVCWBO-QMMMGPOBSA-N 323.143 -0.896 50 20 DBGD COc1cccc([C@@H](NNC(=O)[C@@H]2COCCO2)C(=O)O)c1 1599659740 NLWGNVAZVXGWKZ-NWDGAFQWSA-N 310.306 -0.143 50 20 DBGD C[C@H](NNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)C(F)(F)F 1603019344 DKYMBNAWJVRFAR-UHNVWZDZSA-N 319.251 -0.409 50 20 DBGD CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1792861584 NAXBNBVLLSUZKM-RCZSTQMZSA-N 322.764 -0.119 50 20 DBGD O=C(NNC(=O)c1nc(=O)[nH][nH]1)c1cnn(-c2ccccc2)c1 113434669 CVIKMRDHKLYAEX-UHFFFAOYSA-N 313.277 -0.642 50 20 DBGD COc1ccc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)cc1 138257468 YIHMCKZJVBBZBS-UHFFFAOYSA-N 319.317 -0.005 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1cnn(C)c1 150729462 NFAZEBJVFWKFGH-UHFFFAOYSA-N 306.326 -0.390 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(F)c1F 263944906 BFCWVTUIEHSZRK-UHFFFAOYSA-N 321.305 -0.201 50 20 DBGD O=C(CN1C[C@H](O)[C@H](O)C1)NNC(=O)c1ccccc1Cl 278620497 FXBPRTIOQXJBEB-PHIMTYICSA-N 313.741 -0.862 50 20 DBGD CC1=C(C(=O)NNC(=O)C(C)(C)O)[C@H](C)n2ncnc2N1C 282542234 ZQCNHZSGKBGKRR-QMMMGPOBSA-N 308.342 -0.519 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)cc1C(=O)O 292230254 AUTNCSNDIKIYJH-SECBINFHSA-N 317.323 -0.788 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2occ3c2CCOC3)CC1 377194251 DABILLGJLJSHRR-UHFFFAOYSA-N 308.338 -0.046 50 20 DBGD CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(B(O)O)ccc1F 584951827 ZNGHLHUUCXUJBW-AWEZNQCLSA-N 308.162 -0.082 50 20 DBGD OB(O)c1ccc(CNCCCc2nnc3n2CCCCC3)o1 585026985 MFDRSNPZSUCXKC-UHFFFAOYSA-N 318.186 0.000 50 20 DBGD COCCC(=O)N1CCC(NCc2ccc(B(O)O)o2)CC1 585029982 CTBVFFJVOSVPTF-UHFFFAOYSA-N 310.159 -0.924 50 20 DBGD CCn1c(=O)n(CC(=O)N2CC[C@H](B(O)O)C2)c2ccccc21 585069000 JZOMIMZBVZSHPF-NSHDSACASA-N 317.154 -0.102 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(C#N)c1)N1C(=O)CCC1=O 728826380 DPSYQQDZIYMQFR-VIFPVBQESA-N 314.301 -0.143 50 20 DBGD CCc1sc(C(=O)NNC(=O)CN(C)CC(N)=O)cc1C 736308999 PSBALTLKTLZJFN-UHFFFAOYSA-N 312.395 -0.203 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 739826582 YHNNBDKZKIKZGB-UHFFFAOYSA-N 305.250 -0.657 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)C(=O)NC(CC)CC 740852558 CAZNRFKYBGPEHE-MRVPVSSYSA-N 300.359 -0.647 50 20 DBGD CN(CCCNC(=O)C1CCC1)CC(=O)NNC(=O)C1CC1 759998020 FXQWKXGSQMMZHX-UHFFFAOYSA-N 310.398 -0.218 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CC1CCOCC1 763819527 CONRMAVMIBACLA-UHFFFAOYSA-N 320.349 -0.225 50 20 DBGD COc1nccnc1NNC(=O)CCC[C@]1(C)NC(=O)NC1=O 764469892 RMJALSGVPMUIAL-ZDUSSCGKSA-N 322.325 -0.303 50 20 DBGD C[C@H]1CN(CCNS(=O)(=O)CBr)CCO1 780855854 GVJKIAPTDHUNFE-QMMMGPOBSA-N 301.206 -0.021 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 800687986 LAVNFZFDUBJKNH-DTORHVGOSA-N 310.358 -0.627 50 20 DBGD CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 801187849 PUVGOOORRVGEIX-DTWKUNHWSA-N 301.343 -0.364 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCCC23OCCO3)nn1 807046026 MXEPEPZZUSYEJT-MRVPVSSYSA-N 307.310 -0.438 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cccn1C 816823973 LXJLGYGZGHGENP-QMMMGPOBSA-N 302.356 -0.886 50 20 DBGD O=C(NNS(=O)(=O)c1ncc[nH]1)c1ccc2c(c1)OCCO2 821135963 XEEIGAHAJPQARN-UHFFFAOYSA-N 324.318 -0.196 50 20 DBGD COCC(=O)NN[C@@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 821680853 WKXFBOSUARZMAQ-LLVKDONJSA-N 320.309 -0.652 50 20 DBGD CN1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O 826017204 IITFVMIEZGLFBP-VIFPVBQESA-N 301.310 -0.212 50 20 DBGD NC[C@@H]1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 843348388 MHDAYQLYZDDQHY-JTQLQIEISA-N 321.337 -0.364 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 848044316 HOGDMRCBARLMKU-UHFFFAOYSA-N 317.353 -0.272 50 20 DBGD C=C[C@H](CO)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 852589397 UEVBKUHZHLATEK-SNVBAGLBSA-N 314.386 -0.194 50 20 DBGD CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cc[nH]n1 855359202 JMVPZSZGMHLTNJ-QMMMGPOBSA-N 313.383 -0.181 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS(=O)(=O)C1)c1cccc(F)n1 856427276 TUDKEVOBSRAKPR-QMMMGPOBSA-N 315.326 -0.194 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)CN1CCOCC1 857443674 NRFHCLVHGIOIAF-UHFFFAOYSA-N 307.350 -0.065 50 20 DBGD COC(=O)c1oc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1C 864231273 GGDVFTYHDYZDSR-QMMMGPOBSA-N 317.128 -0.388 50 20 DBGD CC(C)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 915775944 BQSLVRPMQPUUNT-UHFFFAOYSA-N 303.315 -0.110 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nnc2n1CCCCC2 1116187014 KLWSUAQPLPFTFD-UHFFFAOYSA-N 310.314 -0.992 50 20 DBGD Cn1ccnc(NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1=O 1116193062 JQZROVSYFDICNE-UHFFFAOYSA-N 307.270 -0.582 50 20 DBGD CN1CC[C@H]1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 1122108679 MZHJMOBZIWANPO-GXFFZTMASA-N 320.349 -0.139 50 20 DBGD CN(C)c1nccc(NNC(=O)C2CCS(=O)(=O)CC2)n1 1318657860 FJYDDWQOSISWHK-UHFFFAOYSA-N 313.383 -0.190 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1=CCN(C)CC1 1319959877 KRCOOCHUMHICLI-LLVKDONJSA-N 323.397 -0.410 50 20 DBGD COc1cc(CC(=O)NNC(=O)CS(C)(=O)=O)ccc1O 1335367889 PYQSVDXVJXLACD-UHFFFAOYSA-N 316.335 -0.865 50 20 DBGD C[C@]1(Cn2nnnc2N2CCNC(=O)C2)C[C@H]1Br 1337714423 QINGNLJJPJBDKG-GMSGAONNSA-N 315.175 -0.217 50 20 DBGD CO[C@H]1CN[C@@H](C(=O)NNC(=O)COc2cccc(C)c2)C1 1574001779 JKWQTVBGWJMOGK-CHWSQXEVSA-N 307.350 -0.102 50 20 DBGD C[C@H]1Oc2c(cccc2C(=O)NNC(=O)[C@@H]2CCN2)NC1=O 1576902502 ABCAUULQKRKKDC-XCBNKYQSSA-N 304.306 -0.471 50 20 DBGD CC(=NNC(=O)CS(C)(=O)=O)c1cccc(-c2nn[nH]n2)c1 1588775654 BLOUJHMKJRKCKX-UHFFFAOYSA-N 322.350 -0.249 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cnc(C)c(C(=O)O)c1 1605494569 DLPGPUCJSIZCLJ-UHFFFAOYSA-N 302.312 -0.399 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1 1605589277 ITQLZGSNHUFYGN-DTWKUNHWSA-N 318.326 -0.445 50 20 DBGD O=C(O)C[C@@H]1C(=O)NCCN1CCI 1608690213 CCZVDNZDALDFRB-ZCFIWIBFSA-N 312.107 -0.304 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)n2cncn2)C[C@@H](C)O1 264838401 KNQMFDSZIHQOGA-GRYCIOLGSA-N 324.385 -0.514 50 20 DBGD O=C(CCCNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCO1 292039112 AHNRIZSJHOZBEU-LBPRGKRZSA-N 320.349 -0.082 50 20 DBGD CNC(=O)NNC(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C 299132878 QJJUYTDBUIRNMC-LLVKDONJSA-N 321.316 -0.135 50 20 DBGD C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584931707 FIEKWWDAAMTLHH-WCBMZHEXSA-N 308.118 -0.769 50 20 DBGD C[C@H](CNC(=O)c1cc(B(O)O)ccc1F)CN1CCOCC1 584948602 IMILIUHMOBQLQK-LLVKDONJSA-N 324.161 -0.796 50 20 DBGD O=C(N[C@@H]1CCCn2ncnc21)c1ccc(B(O)O)c(F)c1 584960936 OBMBTDNQSHRMRW-LLVKDONJSA-N 304.090 -0.638 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)cc1)N1CCCCC1=O 584980168 SCPYHIMFICYWLW-LLVKDONJSA-N 304.155 -0.503 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCN([C@@H]2CCOC2)CC1 585006124 AVTRCKJQSGUZNS-GFCCVEGCSA-N 322.145 -0.948 50 20 DBGD C[C@H]1CN(C(C)(C)CNCc2ccc(B(O)O)o2)C[C@@H](C)O1 585015468 ZLNIPLCDVUWSLE-TXEJJXNPSA-N 310.203 -0.063 50 20 DBGD C[C@]1(O)CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1 748833321 SPYWXNFRCDTYFL-HNNXBMFYSA-N 302.334 -0.224 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@@H]1CCOC1 752253409 RVSLNKBPZOYGAR-BXKDBHETSA-N 307.306 -0.054 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 754223655 JBYZPOBIKZRKPQ-UHFFFAOYSA-N 301.306 -0.179 50 20 DBGD COCCCCC(=O)NNC(=O)CNC(=O)c1cccnc1 764342684 HGCOELOANJHZGS-UHFFFAOYSA-N 308.338 -0.225 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(OC(F)F)c1 764422577 XLSVKSNQYKZRML-UHFFFAOYSA-N 303.221 -0.634 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc(S(C)(=O)=O)ccc1F 768244828 OSLWUVUIVLLKLQ-UHFFFAOYSA-N 318.326 -0.239 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COC[C@H]1CCCO1 772132906 PHDDLKCHVXIQQD-VHSXEESVSA-N 302.327 -0.329 50 20 DBGD CNC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 773845624 BYTSPFGXQOTNJW-UHFFFAOYSA-N 321.268 -0.552 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)Nc1ccccc1 813573342 DAEIDDBWSWEZKY-NSHDSACASA-N 308.338 -0.028 50 20 DBGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1cc[nH]n1 814785434 XWJJRFHHQAESCI-UHFFFAOYSA-N 309.311 -0.362 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 842591584 DNFUXQGSYMVBLF-PSASIEDQSA-N 302.356 -0.363 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)N1 845089426 VSAMXKFXROVSQP-JTQLQIEISA-N 315.326 -0.793 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=S)N[C@H](C)C1CC1 855098783 MALLWNJAXYCSSC-MRVPVSSYSA-N 302.400 -0.615 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC[C@H](O)c2ccccc2)N1 858698234 XFYJWGZDBOAONS-RYUDHWBXSA-N 320.349 -0.281 50 20 DBGD CCCc1nnc(S)n1CC(=O)NNC(=O)c1cn[nH]c1 862474953 ULXVGUCGQUWGMA-UHFFFAOYSA-N 309.355 -0.296 50 20 DBGD Cc1cc(=NNC(=O)[C@H](NS(C)(=O)=O)C(C)C)cc[nH]1 862510583 LNPBMBVMECIVTD-LLVKDONJSA-N 300.384 -0.171 50 20 DBGD COC(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1 863378642 HPVHBKLHRAADKP-JQWIXIFHSA-N 309.297 -0.061 50 20 DBGD COC(=O)N(C)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 875464450 KPYFWEMFIHMTDP-SECBINFHSA-N 303.315 -0.179 50 20 DBGD CC(=O)N1C[C@H]2CN(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)C[C@H]2C1 883705263 GRPFHVHNJDBPKD-FOUMNBMASA-N 324.381 -0.438 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CNS(=O)(=O)c1cccc(F)c1 910181567 UOQZXJVSHPUDBJ-SECBINFHSA-N 319.358 -0.552 50 20 DBGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)CC2 1115961803 WZUPQUJXWOIEJY-VIFPVBQESA-N 303.326 -0.126 50 20 DBGD CS(=O)(=O)C1(C(=O)NNc2ccc(-n3ccnc3)nn2)CC1 1261184556 RKNKJQBFPRIPBN-UHFFFAOYSA-N 322.350 -0.317 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCN1C 1318838434 QJHUGDNUWSLNJV-NQBHXWOUSA-N 318.443 -0.150 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccn1 1319269200 DTQIFFDKXITUBC-SECBINFHSA-N 313.335 -0.714 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 1330315101 SCCCGGIUENQUSH-LLVKDONJSA-N 318.333 -0.192 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)nc1Cl 1337696457 UHCAFHNGDJACRT-UHFFFAOYSA-N 300.702 -0.224 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1ccccc1O)S(C)(=O)=O 1341112100 QGBXYJBDTVJZKQ-MRVPVSSYSA-N 315.351 -0.231 50 20 DBGD CCC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCOCC1 1341926262 JTZGQAPLYKGRQP-JTQLQIEISA-N 318.395 -0.225 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)c1ccncc1 1346141814 ODORXZPGIQCFEC-UHFFFAOYSA-N 314.367 -0.309 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1C[C@@]12CCNC2 1574300401 LISKLOVFHVHRJT-YMTOWFKASA-N 322.390 -0.375 50 20 DBGD Cn1cc(C(=O)C(=O)NNc2cccc(-c3nn[nH]n3)c2)cn1 1592563285 ZMKGFFXZQDMIPC-UHFFFAOYSA-N 312.293 -0.074 50 20 DBGD O=C(COC(F)F)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1592885234 BZKQADLLVDZZQA-UHFFFAOYSA-N 312.236 -0.133 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)NCc1ccco1 1594568756 PIVSDBGSRFEJMM-UHFFFAOYSA-N 307.266 -0.145 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)/C=C\c1cc(C(=O)O)co1 1599747203 JNYAELOGNHJNOR-IHWYPQMZSA-N 316.291 -0.817 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCCC(=O)O)C[C@@H](C)O1 1603461471 POBWBGXIJVQTCG-GHMZBOCLSA-N 315.370 -0.112 50 20 DBGD Cc1ccc(NNC(=O)CN2CCN(C)C(=O)C2)cc1C(=O)O 1607810116 QUURUKYPVUYXHA-UHFFFAOYSA-N 320.349 -0.090 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1ccc(C(=O)O)cc1F 1608376729 DZARLLBWXZYNJY-UHFFFAOYSA-N 322.252 -0.071 50 20 DBGD CCC(=O)Nc1cccc(CNC(=O)NNC(=O)C(=O)O)c1 1609882721 YKSVVQUAUAOVDB-UHFFFAOYSA-N 308.294 -0.050 50 20 DBGD COc1cc(C(=O)O)ccc1C=NNC(=O)CS(C)(=O)=O 1776097059 GMICRDVDOZMLJA-UHFFFAOYSA-N 314.319 -0.112 50 20 DBGD NC(=O)NCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1847105214 MRNCHJOYQQPLTG-QMMMGPOBSA-N 306.725 -0.608 50 20 DBGD CC[C@@H](OC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 65835453 ASMXCKKTBXTUEY-LLVKDONJSA-N 304.310 -0.152 50 20 DBGD Cc1ccc(CCC(=O)NCC(=O)NNC(=O)CN(C)C)cc1 113426088 RJRDDQGAFBLSNE-UHFFFAOYSA-N 320.393 -0.247 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1 117678590 ZFLLJQHABROIAU-NSHDSACASA-N 307.354 -0.028 50 20 DBGD N#C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)CCO1 155580786 JZCXATGQVLTHLE-GFCCVEGCSA-N 306.297 -0.189 50 20 DBGD C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1Cl 173296357 XXASSBFBNCDWSI-SECBINFHSA-N 324.768 -0.079 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc2c([nH]c1=O)CCCC2 186112865 URMXDFOPAHTGSB-UHFFFAOYSA-N 315.333 -0.020 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1 268643318 RYHUDWFDRXRIQL-LLVKDONJSA-N 322.369 -0.913 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 268698755 RJKAFWIGUUKRQH-IJLUTSLNSA-N 318.333 -0.474 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)N1CCSCC1 269702009 RFVCVEUCEQLBDO-SECBINFHSA-N 302.400 -0.904 50 20 DBGD COc1ccc(NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)nc1 275483407 GBAJMGQYERBPHJ-PRHODGIISA-N 308.338 -0.191 50 20 DBGD CN(C)C(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 299399175 VEKBQYZKJCAERQ-NSHDSACASA-N 318.337 -0.591 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CN2CCCN1CC2 378309751 PKNHBFIGWOOPIT-AWEZNQCLSA-N 320.368 -0.095 50 20 DBGD O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NCB(O)O 585056120 KEIZZNUYWQFFKR-UHFFFAOYSA-N 304.033 -0.437 50 20 DBGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)CN(C)C 733359306 LLAUQSJVKZMHMR-VIFPVBQESA-N 302.400 -0.603 50 20 DBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)N1CCOCC1 745987652 CSRBNOHKCURXCB-VIFPVBQESA-N 300.359 -0.390 50 20 DBGD Cn1cc(Br)cc(NC(=O)NNC(=O)CO)c1=O 757595579 CBYRHMMQTYOMOQ-UHFFFAOYSA-N 319.115 -0.707 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 757759945 BRFAKWBEGILNKO-SNVBAGLBSA-N 318.293 -0.770 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)COCc1ccccc1 757759951 BTSAXUWEWLOTKS-UHFFFAOYSA-N 304.310 -0.394 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc2c(c1)ncn2C 761259381 RXNOEPNPKCFPDB-SECBINFHSA-N 323.378 -0.039 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccccc1OCC(N)=O 761661640 IKFJDJNNGJEQIB-UHFFFAOYSA-N 308.363 -0.154 50 20 DBGD Cn1c(S(=O)(=O)NNC(=O)NCC2CC2)cnc1Cl 765060769 SQXCEYDXCXEKIT-UHFFFAOYSA-N 307.763 -0.024 50 20 DBGD CCNC(=O)CNC(=O)NNc1ccccc1S(C)(=O)=O 766850710 YGUYBPMZGBDEMH-UHFFFAOYSA-N 314.367 -0.148 50 20 DBGD COCCO[C@@H](C)C(=O)NN[C@H](C(=O)OC)c1cccnc1 771904190 SGESPSKRASCWPO-JQWIXIFHSA-N 311.338 -0.032 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc(N(C)CCO)cc1 779824117 YUVOERLVSJJCLC-UHFFFAOYSA-N 308.338 -0.079 50 20 DBGD C[C@@H](CNC(=O)NNc1nc2ccccn2n1)S(C)(=O)=O 790433084 DGWVMWIOBMIDDD-QMMMGPOBSA-N 312.355 -0.212 50 20 DBGD CC(C)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 822203724 KMKHGCDHNLPMEW-UHFFFAOYSA-N 324.362 -0.284 50 20 DBGD CCN(CCO)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 823865168 LKXRXBLIWNILHM-NSHDSACASA-N 317.386 -0.032 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1COC(C)(C)OC1 826903046 QXFHSTSTHIETOZ-WPRPVWTQSA-N 301.343 -0.107 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(O)(C(=O)O)CC1 833473470 LFNODYOLWOMFNR-JTQLQIEISA-N 315.370 -0.520 50 20 DBGD C[C@H](NC(=O)O)C(=O)OCC(=O)NNC(=O)c1cccs1 833740782 SXUGRDKFTGLRPW-LURJTMIESA-N 315.307 -0.292 50 20 DBGD CCOC(=O)[C@H](CC)C(=O)NNC(=O)N1CCN(C)CC1 839734978 SMBQXGNSGLQXEN-SNVBAGLBSA-N 300.359 -0.436 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)c1cnn(C)c1 843973258 YAKRAKVOXAVTRR-ONGXEEELSA-N 308.338 -0.045 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1CCc2nnnn2CC1 846262035 WSJXMANLWJEYPQ-MRVPVSSYSA-N 304.314 -0.433 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 854388775 XOODWQQJBIWHKM-JGVFFNPUSA-N 303.315 -0.580 50 20 DBGD Cn1nncc1NNC(=O)COCCNC(=O)OC(C)(C)C 857271629 SRANZPNXFCVRNA-UHFFFAOYSA-N 314.346 -0.201 50 20 DBGD CC(=O)N[C@@H](CC(=O)NC[C@@]1(C)C[C@@H]1Br)C(N)=O 857733328 JDHOOQLRGUDZPO-DKCNOQQISA-N 320.187 -0.344 50 20 DBGD Cc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858099651 SWCHRUFCSHEZFB-LBPRGKRZSA-N 320.349 -0.017 50 20 DBGD CC(C)(C)N1C[C@@H](NC(=O)NNC(=O)c2cn[nH]c2)CC1=O 858402728 IRGIZCBYXFOPEQ-VIFPVBQESA-N 308.342 -0.247 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H](C2CC2)C(F)(F)F)N1 858462419 VCAIVJGVNDJOMN-XPUUQOCRSA-N 308.260 -0.064 50 20 DBGD COC(=O)c1ccccc1NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 860606682 ZELBOHBDNFSXSM-MNOVXSKESA-N 307.306 -0.051 50 20 DBGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862461303 NGYHSOWBGCJOCM-VXGBXAGGSA-N 321.333 -0.975 50 20 DBGD Cc1nc(Cl)ccc1C(=O)NNC(=O)CS(C)(=O)=O 863463970 BDUACJKKZAJBSB-UHFFFAOYSA-N 305.743 -0.151 50 20 DBGD CN1CCCC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1=O 874257696 JTVOPBHPSCYKHF-SNVBAGLBSA-N 310.354 -0.985 50 20 DBGD O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NNc1nccc(N2CCOCC2)n1 896666769 UBUNSVAXORHPMY-OASPWFOLSA-N 317.349 -0.019 50 20 DBGD CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c1cccs1 920595790 VMUIENPELRMGTL-UHFFFAOYSA-N 320.348 -0.903 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CSc1cccc[n+]1[O-] 1116032286 UWOAHAKATIBVJI-UHFFFAOYSA-N 307.335 -0.095 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn2c(=O)cc[nH]c12 1118278916 AISVTLUCTHHBII-JGVFFNPUSA-N 305.294 -0.791 50 20 DBGD O=C(NNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)c1cn[nH]c1 1118864143 LERVUDLFWMQKJS-SNVBAGLBSA-N 320.353 -0.292 50 20 DBGD CN(C)c1cccnc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261790205 DDZTXKOWQVQVEW-VIFPVBQESA-N 320.353 -0.743 50 20 DBGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1320348949 JYIQAICSNFBXJD-UHFFFAOYSA-N 304.306 -0.292 50 20 DBGD COc1cccc(C=NNC(=O)Cc2cc(O)nc(O)n2)n1 1326248419 KGXVRZIDDQVUOT-UHFFFAOYSA-N 303.278 -0.016 50 20 DBGD Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331804032 RROZXPXWYKEKCA-RDDDGLTNSA-N 307.354 -0.369 50 20 DBGD CCn1cc(-c2nn(C)cc2C(=O)N2CC[C@@H](B(O)O)C2)cn1 1335434281 VJYXUKXJLKTDEK-LLVKDONJSA-N 317.158 -0.008 50 20 DBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(F)F 1343895661 NVPMYYATORFLRA-RQJHMYQMSA-N 313.326 -0.205 50 20 DBGD CO[C@]1(C(=O)NN[C@@H](C)C(F)(F)F)CCS(=O)(=O)C1 1350817640 FCQHAZSJCYOCCD-POYBYMJQSA-N 304.290 -0.238 50 20 DBGD C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)NNC(=O)C(=O)O)O2)CO1 1594287970 ZJRNKLMFABDBEA-RGNHYFCHSA-N 301.299 -0.872 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1ccc(CC(=O)O)cc1 1599141444 OBEBMQCYQQEIAH-UHFFFAOYSA-N 309.322 -0.138 50 20 DBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@H]2CCCO2)O1 1602036208 NGPKSHRGWKDRFP-IVZWLZJFSA-N 300.311 -0.275 50 20 DBGD O=C(O)COCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 1602078231 MUXAZILSOURXCC-UHFFFAOYSA-N 305.290 -0.041 50 20 DBGD O=C(O)CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1608697898 PTCSQIJANXISEN-UHFFFAOYSA-N 309.102 -0.168 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1 1842301388 OPOIZQUESSOXQG-SECBINFHSA-N 312.757 -0.174 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2ccccn2)CC1=O 45263663 HKTXPGSBEFKXLV-SNVBAGLBSA-N 306.322 -0.663 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)N1CCCC1=O 106417317 IETHHMDHQBSMCU-CYBMUJFWSA-N 307.354 -0.253 50 20 DBGD COC(=O)COCC(=O)NNC(=O)CCc1ccc(OC)cc1 287008298 FOSTWWUTOCEYBR-UHFFFAOYSA-N 324.333 -0.035 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 371800512 BSOQYXHQZPIPGA-JTQLQIEISA-N 312.370 -0.510 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 496244353 IIQHFEVBEMPQTK-HQJQHLMTSA-N 321.289 -0.284 50 20 DBGD C[C@H]1CCCCN1C(=O)CCNC(=O)c1cccc(B(O)O)c1 584939431 VYTPZIMWZDUMBX-LBPRGKRZSA-N 318.182 -0.113 50 20 DBGD CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584940101 PDGBAFYTQYUWED-DTWKUNHWSA-N 310.134 -0.462 50 20 DBGD C[C@H]1[C@@H](C)N(C(=O)c2cccc(B(O)O)c2)CCS1(=O)=O 584949715 UGQXRHZCDZPPCR-ZJUUUORDSA-N 311.168 -0.986 50 20 DBGD O=C(Cc1ccc(F)cc1)NNC(=O)NCCn1cncn1 726710437 YXUMMHZXXOQRRW-UHFFFAOYSA-N 306.301 -0.010 50 20 DBGD CCCCNC(=O)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730533239 WWWUUAGROIOQDU-UHFFFAOYSA-N 307.314 -0.798 50 20 DBGD C[C@@]1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCOC1 733650974 DKTPWNFWESGRDA-RYUDHWBXSA-N 305.400 -0.206 50 20 DBGD CO[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744837015 PXZKJYODOAUOMN-SECBINFHSA-N 305.290 -0.103 50 20 DBGD O=C(NCCCN1CCCC1)NNC(=O)C(=O)N1CCCC1 748452091 WBGAOJNQRGXKDC-UHFFFAOYSA-N 311.386 -0.575 50 20 DBGD CNC(=O)c1ccc(C(=O)NNc2nccnc2OC)cn1 764466048 UMZGWDGEAHWCHU-UHFFFAOYSA-N 302.294 -0.003 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnn(C)c1C 778540958 YCRACBVBTKMMBZ-SNVBAGLBSA-N 313.383 -0.061 50 20 DBGD O=C(NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CC1 779580384 YNCCTDHAVKBZDL-QWRGUYRKSA-N 304.306 -0.485 50 20 DBGD C[C@@H](O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802067857 OQARTPDKLNJVES-SSDOTTSWSA-N 301.324 -0.376 50 20 DBGD CC(=O)N[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)C1 817281503 XNDQGXSZNOEJDM-AWEZNQCLSA-N 318.377 -0.034 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 826045958 FFRGCVUSDXTQSB-WOPDTQHZSA-N 314.386 -0.538 50 20 DBGD CCOC(=O)COCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 826902176 JCBJDNLNMBIVEB-ZJUUUORDSA-N 317.342 -0.679 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCc2ncncc2C1 843779457 SAHQUCIODUUGIC-SNVBAGLBSA-N 305.338 -0.346 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 843980907 YCXPURKARRWQRN-CBAPKCEASA-N 320.305 -0.402 50 20 DBGD O=C(Cc1cccnc1)NNS(=O)(=O)N1CCCOCC1 844655493 JRYQYMXNHPWTGG-UHFFFAOYSA-N 314.367 -0.788 50 20 DBGD O=C(NNC(=O)N1CC(=O)N(C2CC2)C1)c1cccc(F)n1 852709664 CVQYFBHFLQOIPD-UHFFFAOYSA-N 307.285 -0.161 50 20 DBGD C[C@@H]1CN(C)C(=O)CN1C(=O)NNC(=O)c1cccc(F)n1 852710615 TTZIMPMJWVZQEP-MRVPVSSYSA-N 309.301 -0.262 50 20 DBGD O=C(NNC(=S)NCC1CCC1)C1=NN2CCCN=C2N1 855087054 CZDDYTXJIQEOLI-UHFFFAOYSA-N 309.399 -0.740 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2CCCCN2C2CC2)N1 858395604 DEMHAVIUSUMRHU-NEPJUHHUSA-N 323.397 -0.388 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CN2CC(=O)N(C)C2=O)n1 862013218 PEGHPEGMRUFLMG-UHFFFAOYSA-N 312.717 -0.224 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@]1(C)C[C@@H]1Br 913433596 LBBTVMRHRFFWFI-XVKPBYJWSA-N 309.160 -0.030 50 20 DBGD N#CCOc1ccccc1C(=O)NNC(=O)CN1CCCC1=O 920433865 ZWZIAHJWIKSBHT-UHFFFAOYSA-N 316.317 -0.028 50 20 DBGD COc1c(F)cc(CC(=O)NNC(C)=O)cc1S(N)(=O)=O 1117778508 WDWMVJMXGAQSTN-UHFFFAOYSA-N 319.314 -0.809 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccc(C#N)cc1 1123631592 XKVKITJZCVKFAY-SMDDNHRTSA-N 313.361 -0.292 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](c1ccsc1)N(C)C 1319298208 BCKYAGWFSIROOB-SECBINFHSA-N 314.367 -0.146 50 20 DBGD COc1nccnc1NNC(=O)C(=O)Nc1ccc(C)nc1O 1325558598 OIPILTSQCMZWDS-UHFFFAOYSA-N 318.293 -0.024 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc2oc(O)nc2n1 1328745224 KSJHAJNUBGIBOA-UHFFFAOYSA-N 307.266 -0.385 50 20 DBGD CCS(=O)(=O)CCN(C)C(=O)NNC(=O)c1cn[nH]c1 1328804203 NTNKXPGZWVZYEL-UHFFFAOYSA-N 303.344 -0.869 50 20 DBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)C1CCOCC1 1331290703 VZGXDCIKYRLRFP-SECBINFHSA-N 300.359 -0.390 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@@H]1C(=O)O 1603301084 QPYGYLLYCPKYLX-MRVPVSSYSA-N 303.384 -0.318 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cn1 1605491166 NXWDVZKWBPJLOC-XIISILMESA-N 316.317 -0.113 50 20 DBGD COc1ccc(C(=O)O)c(NC(=O)C(=O)NNC(=O)C2CC2)c1 1610318051 XWJSXVBUSGLAHJ-UHFFFAOYSA-N 321.289 -0.111 50 20 DBGD O=C(NCc1ccc(N2CC=CC2)cc1)NNC(=O)C(=O)O 1610697309 FQMOOKJBCGMUMI-UHFFFAOYSA-N 304.306 -0.022 50 20 DBGD C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841235598 IBNDYPWUDVFWHK-UHFFFAOYSA-N 316.430 -0.648 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)NCC(=O)NC2CC2)cc1 144675249 TXLJHOQLDAITSI-UHFFFAOYSA-N 301.306 -0.219 50 20 DBGD CC[C@H](NC(=O)NNc1cccnn1)C(=O)N1CCOCC1 267796780 PADBHYILDDYXDU-JTQLQIEISA-N 308.342 -0.260 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1OCCc2ccccc21 269678969 XPRNSNRXAIVAQI-GFCCVEGCSA-N 305.334 -0.028 50 20 DBGD Cn1c(N)c(C(=O)CN2CC=C(C#N)CC2)c(=O)n(C)c1=O 272624837 JIMPYEWDOHEAFF-UHFFFAOYSA-N 303.322 -0.995 50 20 DBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 285022243 DTTDFFFRWPBEBA-LLVKDONJSA-N 314.363 -0.132 50 20 DBGD COC(=O)N(C)NC(=O)CNS(=O)(=O)c1cccs1 286247541 GVNAFDYLXPGCRC-UHFFFAOYSA-N 307.353 -0.244 50 20 DBGD COC(=O)N(C)NC(=O)CSCC(=O)N1CCOCC1 286416412 QBJUUAHAUCVIAN-UHFFFAOYSA-N 305.356 -0.692 50 20 DBGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1nnc[nH]1)C2=O 294083535 ZDQSKWBYZAADPT-SDBXPKJASA-N 321.341 -0.252 50 20 DBGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)C1CC1 298790702 QNCKKQFMJFYDEO-UHFFFAOYSA-N 308.338 -0.202 50 20 DBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)NC1CC1 299369390 MDSLHDUNNLIEBI-NSHDSACASA-N 317.301 -0.806 50 20 DBGD CC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](O)C(F)(F)F 584967716 BFYODEOSYAQJQA-ZJUUUORDSA-N 323.051 -0.063 50 20 DBGD COCCN1CCC[C@@H]1CNCc1ccc(B(O)O)cc1F 585019961 LEEWMWQIEVAMTK-CQSZACIVSA-N 310.178 -0.294 50 20 DBGD Cc1cc(OCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)no1 728176974 VAPBJFKSJVUHAU-SNVBAGLBSA-N 317.367 -0.146 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)NCC 734125529 JQEFSCDVLAFFKK-JTQLQIEISA-N 320.415 -0.069 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1cccn1C)C(C)C 741207215 CFZQVJKEZIMBPW-LBPRGKRZSA-N 310.354 -0.427 50 20 DBGD CN(C)S(=O)(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 743268605 AEOVWTFRZPQQIP-UHFFFAOYSA-N 304.284 -0.659 50 20 DBGD CC(C)NC(=O)NNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 745136249 SDPNQOJBZHXBAA-JTQLQIEISA-N 310.358 -0.359 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c[nH]1 753165925 RINFJGFBOYWWBR-SSDOTTSWSA-N 316.339 -0.811 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)[C@H]1COCCO1 762847419 JRUXZPBAZJEPDH-SNVBAGLBSA-N 309.326 -0.828 50 20 DBGD N#Cc1cccnc1-n1cc(NC(=O)NNC(=O)CO)cn1 764741985 ZVLHXFLXCWVXDM-UHFFFAOYSA-N 301.266 -0.716 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)nc1 765587160 QEYPDBHMLQYALK-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(O)c(F)c1 767295157 YGNUYHHUJQPIIU-QMMMGPOBSA-N 316.310 -0.273 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 778713963 OJGJKUVAOJSUOK-VIFPVBQESA-N 323.353 -0.024 50 20 DBGD COCCO[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 781962805 SDZUUBWJLVSXFX-LLVKDONJSA-N 301.387 -0.083 50 20 DBGD CN(C)c1c(C=NNC(=O)C2CCCC2)c(=O)n(C)c(=O)n1C 807963464 VPPLPUJJIOVVTQ-UHFFFAOYSA-N 321.381 -0.210 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 816007168 ZWLGYVUVMVDMFC-AOOOYVTPSA-N 308.338 -0.370 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NN=C1CCN(CCO)CC1 819804443 DUFOSVVRAQRLJY-ZDUSSCGKSA-N 312.414 -0.485 50 20 DBGD CC(=O)NC[C@H](CC(=O)NNC(=O)CN(C)C)CC(C)C 825709350 UFYGEYLUIKWKMU-LBPRGKRZSA-N 300.403 -0.116 50 20 DBGD COCCN(C)NC(=O)C1(C(=O)NN(C)CCOC)CCC1 837623807 PQFJSYGJTXJQFW-UHFFFAOYSA-N 316.402 -0.625 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)CN2CCOCC2=O)cc1 846376406 YZKIKERUSGYNIV-UHFFFAOYSA-N 321.333 -0.296 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccn(COC)n1 854285276 JPIFOFATMPQUMJ-UHFFFAOYSA-N 315.399 -0.025 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNc1ncc(Cl)cn1 857358847 JRWASKBSQISFEM-UHFFFAOYSA-N 323.744 -0.032 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H](O)c2ccc(F)cc2)N1 858694482 POKHTOBPWBCGJR-MNOVXSKESA-N 324.312 -0.532 50 20 DBGD COC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCSCC1 863880008 KLPLDMXJRJMOSR-UHFFFAOYSA-N 323.179 -0.465 50 20 DBGD COC(=O)c1cncc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 864232647 RNNFFNHDQGHWMN-SECBINFHSA-N 314.128 -0.894 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)Cn1cccnc1=O 915189204 DIOXNHKCXCAXIP-UHFFFAOYSA-N 320.280 -0.391 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@@H]2C(=O)NCC2(C)C)c1 931659363 WYHASKOLPMMEQY-CYBMUJFWSA-N 318.377 -0.130 50 20 DBGD Nc1cnnc(NNC(=O)C2=NN3CCCN=C3N2)c1Cl 1261671215 KQVJDBNKGSMPHS-UHFFFAOYSA-N 309.721 -0.866 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(OC)c1 1320599383 DZEWCYHJDQWZHL-UHFFFAOYSA-N 313.241 -0.907 50 20 DBGD O=C(NNC(=O)c1c[nH]nc1-c1ccccn1)C(=O)NC1CC1 1323865671 JTIFKAZMOSIPSC-UHFFFAOYSA-N 314.305 -0.489 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 1323942037 XPXXUSKURZHPQI-UHFFFAOYSA-N 320.305 -0.255 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CCCCS2(=O)=O)nc1O 1324161539 KLKYXGVCFAYMFQ-SSDOTTSWSA-N 301.328 -0.704 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 1324433233 LIMIJLNDOYDLTR-QPUJVOFHSA-N 304.368 -0.880 50 20 DBGD C[S@](=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1335330253 SCZGDYVMCTUYJK-SAHAZLINSA-N 323.374 -0.608 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccnc(C)n1 1339006886 MCNAOKIORKXAPF-JTQLQIEISA-N 311.367 -0.005 50 20 DBGD CC(C)(NCC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)O 1588795004 DJJJHTVYMJDNJQ-UHFFFAOYSA-N 304.306 -0.228 50 20 DBGD CCN1CCOC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1590735716 ACAFAGUHCXPVQT-JTQLQIEISA-N 318.341 -0.575 50 20 DBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNC(=O)NC1CC1 1605552752 URSQZBALJXFUQG-UHFFFAOYSA-N 302.298 -0.323 50 20 DBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1cccc(-c2nn[nH]n2)c1 1609558011 JAFKHQOFYWZUTE-CYBMUJFWSA-N 320.284 -0.244 50 20 DBGD CCC(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1842636343 ARWPPERFPRNSIM-UHFFFAOYSA-N 310.398 -0.027 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)NC)c1 48949460 AQRQVRVFVWDKIR-UHFFFAOYSA-N 300.340 -0.441 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2cnccn2)CC1 111199737 OVHSPVHJILKGRI-LLVKDONJSA-N 306.370 -0.456 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)COCc2ccccc2)CC1=O 267751106 VYWAWQVQMXUZNV-GFCCVEGCSA-N 320.349 -0.236 50 20 DBGD CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)C(=O)NC1CC1 270521088 MGSCGJPXEXSHGQ-QMMMGPOBSA-N 314.342 -0.815 50 20 DBGD O=C(NCC1CC1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 276363613 ZKQFMRFSVBFXCV-UHFFFAOYSA-N 319.317 -0.255 50 20 DBGD Cc1nc2ccccc2c(=O)n1CC(=O)NNC(=O)C(C)(C)O 278010730 RUXWYOLKGTZGLZ-UHFFFAOYSA-N 318.333 -0.377 50 20 DBGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)[C@@H]2CCCO2)cn1 294143632 UTWVAHRZIRVLOU-JTQLQIEISA-N 304.310 -0.250 50 20 DBGD CCc1noc(CN(C)C(=O)c2cc(B(O)O)ccc2F)n1 584940588 XIWUTGKXCNLOTR-UHFFFAOYSA-N 307.090 -0.277 50 20 DBGD COCCOC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584955389 MQWRKYKTXMFALV-GFCCVEGCSA-N 307.155 -0.509 50 20 DBGD CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584999988 VSWBMPVRDFLPCU-GXFFZTMASA-N 311.118 -0.713 50 20 DBGD Cn1nnc2c1CC[C@H](NCc1ccc(B(O)O)cc1F)C2 585045081 AZAVVINIOQIJLO-NSHDSACASA-N 304.134 -0.719 50 20 DBGD CN1C(=O)[C@H](NCc2ccc(B(O)O)o2)Cc2ccccc21 585047920 XSQHYBZFTDBKHA-GFCCVEGCSA-N 300.123 -0.363 50 20 DBGD O=C(NCB(O)O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 585061794 HCGAIKAOGGNBLA-CYBMUJFWSA-N 304.155 -0.404 50 20 DBGD CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 744385982 UILHXNUHKFOKPF-JTQLQIEISA-N 319.427 -0.311 50 20 DBGD Cc1nc2n(n1)CCN(CC(=O)NNC(=O)c1cccs1)C2 750058857 ZGPUCGNRVBSBJZ-UHFFFAOYSA-N 320.378 -0.075 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCN1c1ncccn1 755270857 VLHPTJONBAHTSM-LLVKDONJSA-N 315.337 -0.441 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2c(c1)OCC(=O)N2 755282114 MVKIGYLXOCBEAH-UHFFFAOYSA-N 315.289 -0.256 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(OCCC(N)=O)cc1 756504772 YGNQGIWOLVFKSP-UHFFFAOYSA-N 310.310 -0.260 50 20 DBGD CC(C)CCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048478 SWQGIEHAMUHTLF-ZJUUUORDSA-N 323.415 -0.477 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)c(F)c1 769738237 IUZDCJHCAVGWNJ-UHFFFAOYSA-N 301.299 -0.356 50 20 DBGD CC(C)[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccs1 777583103 MCIMCUZEYZSZHO-GFCCVEGCSA-N 324.406 -0.035 50 20 DBGD O=C(COCc1cccnc1)NNC(=O)C(=O)N1CCCC1 805171635 GDFDJBXTJSTGFY-UHFFFAOYSA-N 306.322 -0.632 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)c1cccc(Cl)c1 807551740 FKVWNYXUAKJODF-UHFFFAOYSA-N 309.713 -0.076 50 20 DBGD COCCN(C)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 808073244 HPAQCWWNCUPGPA-UHFFFAOYSA-N 305.356 -0.247 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(COC)CCOCC1 811434544 UMMSACOMJMWCTF-SNVBAGLBSA-N 316.354 -0.081 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1nc[nH]n1 816633758 LSJFFGHRRMLVJT-SECBINFHSA-N 316.387 -0.158 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)c2ccccc2O)c1=O 816830822 VPSISYPCSLKAEM-UHFFFAOYSA-N 305.294 -0.861 50 20 DBGD COCCN(C)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 822843418 MNASJKPOTVROME-YUMQZZPRSA-N 318.317 -0.181 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)c1ccc(C#N)cc1)S(N)(=O)=O 824694913 RYNDFNJLUKQELN-NSHDSACASA-N 324.362 -0.224 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)n(C)c1 829513677 OGMKRADDLFBXQG-UHFFFAOYSA-N 304.328 -0.374 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC([C@@H]2OCC[C@H]2N)CC1 843389406 SMFWOZAMANQIRR-SUHUHFCYSA-N 312.414 -0.240 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)C[C@H]1CNCCO1 843436536 BIUOJPMMPKDVHQ-JTQLQIEISA-N 313.379 -0.088 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)C[C@H]1COCCO1 852497267 WOVFCWQUKGAASD-JTQLQIEISA-N 313.379 -0.144 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1c(F)ccc(O)c1F 857433343 WTZCVWCWBGNVBM-UHFFFAOYSA-N 301.249 -0.044 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)N1 862452501 XJNJUJKWWIGTGE-ZETCQYMHSA-N 308.250 -0.660 50 20 DBGD CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(B(O)O)cc1 863877152 UHFZHTPVHQMFMP-CYBMUJFWSA-N 305.139 -0.172 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCCN(CC(F)F)CC1 863877403 CWPLNECAXJMPKK-UHFFFAOYSA-N 312.125 -0.221 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)C1CN(S(C)(=O)=O)C1 900001089 GIEBRWCWCHFOBE-UHFFFAOYSA-N 308.429 -0.828 50 20 DBGD C[C@]1(C(=O)NCCN2CCNC(=O)C2)C[C@@H]1Br 907286397 QFVZUHGADMKASG-KWQFWETISA-N 304.188 -0.292 50 20 DBGD CCCN1CCC[C@@H](C(=O)NNC(=O)CN2CCCC2=O)C1 913729551 RLVMQHMDZAROHJ-GFCCVEGCSA-N 310.398 -0.122 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)OC)c1 919960757 HCTNXTGQGUEJFA-UHFFFAOYSA-N 303.296 -0.699 50 20 DBGD O=C(CO)NNC(=O)Cn1nc(-c2ccccc2)ccc1=O 1319868948 CCMDSMMBMFZLKX-UHFFFAOYSA-N 302.290 -0.950 50 20 DBGD Cc1cccnc1NNC(=O)c1cn(CC(=O)N(C)C)nn1 1320711959 VDUIIGQSUKIHPL-UHFFFAOYSA-N 303.326 -0.173 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCc1ccnn1C 1321135932 LUUUJFYHCVWLOD-JTQLQIEISA-N 313.358 -0.656 50 20 DBGD Cn1nnc2c1CC[C@@H](NC(=O)NNC(=O)[C@H]1CCCCO1)C2 1326877158 TXDNGUJPQDTWGG-BXKDBHETSA-N 322.369 -0.428 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)c2ncccn2)CC1 1327387749 VHMSFYZIDJOKCG-UHFFFAOYSA-N 315.355 -0.933 50 20 DBGD NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1329236424 NDUGICAVJVUGPV-NSHDSACASA-N 303.322 -0.474 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccnc(F)c1 1338099091 XBERUVGORSLDOY-MRVPVSSYSA-N 301.299 -0.584 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1n[nH]c2c1CCCC2 1343378974 YUTQVZJMDSKBNT-ZJUUUORDSA-N 322.321 -0.318 50 20 DBGD CCc1ncc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1348422894 MDZOCZPKOOIHDC-ZCFIWIBFSA-N 318.380 -0.706 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(C)c1-n1cnnc1 1349455517 MANYBUQVZGUBPR-DTWKUNHWSA-N 319.325 -0.813 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2C(=O)CCC2=O)nc1 1527950923 ZPTUFYWGYJJNOG-UHFFFAOYSA-N 306.278 -0.540 50 20 DBGD CC(C)(C)OC(=O)N1CC(C)(C(=O)NNC(=O)NCCN)C1 1575168711 DRXFAECMWADYFK-UHFFFAOYSA-N 315.374 -0.468 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN1)[C@H]1CC(=O)N(c2ccccc2F)C1 1580732480 DJVPHISVRZJSCR-ONGXEEELSA-N 320.324 -0.312 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@]12CCNC2)[C@H]1CCN1C1CCOCC1 1580732963 LBDIWSKIAHWAIN-ZENOOKHLSA-N 322.409 -0.613 50 20 DBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1COCCOC1 1593165930 MJDKHCNKZVUSCO-UHFFFAOYSA-N 319.325 -0.092 50 20 DBGD C[C@@H]1CCCN(C(C)(C)CNC(=O)NNC(=O)C(=O)O)C1 1594380774 VWPSSQLANYYXPN-SECBINFHSA-N 300.359 -0.088 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1594442290 QQRBDVREEKNXPH-DTWKUNHWSA-N 310.310 -0.251 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN(c2ncccc2F)C1 1601552949 OTDBRAOLKYHZNQ-SSDOTTSWSA-N 311.273 -0.786 50 20 DBGD O=C(O)[C@]1(CNS(=O)(=O)CBr)CCOC1 1608571265 UKLDLUDFRRIDNM-ZETCQYMHSA-N 302.146 -0.251 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cs1 1609099983 MCZOAERMBKZYER-UHFFFAOYSA-N 323.338 -0.786 50 20 DBGD O=C(NN=Cc1cc(C(=O)O)co1)N[C@@H]1CCS(=O)(=O)C1 1610699381 WEJIUJVNTHLRGS-MRVPVSSYSA-N 315.307 -0.202 50 20 DBGD CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362736 IWDQZBUTAYMMIN-QCMRWSPLSA-N 321.780 -0.328 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)Cn2ncn(C)c2=O)cc1 271445931 SYFYVMVEYRIWQJ-UHFFFAOYSA-N 319.321 -0.883 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 276332182 YIPRUUVPTOHYCW-IUCAKERBSA-N 311.338 -0.920 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2C(=O)O1 299344546 SNSBMUDVZBPXKT-LLVKDONJSA-N 319.317 -0.560 50 20 DBGD O=C(/C=C\c1ccc(O)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 492614591 QFGUOIXNDBWYIS-ZTYXWKCZSA-N 324.358 -0.013 50 20 DBGD C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(B(O)O)cc1 584973634 FJCYJCVFEXZWBZ-JTQLQIEISA-N 306.171 -0.258 50 20 DBGD CSCC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N(C)C 584990639 ZHTMSQBWUWOLRH-LBPRGKRZSA-N 324.211 -0.694 50 20 DBGD O=C(NCB(O)O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 585063127 ZHOAMAWQWUUANL-LBPRGKRZSA-N 302.139 -0.344 50 20 DBGD CC1=CC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)CC1 730568992 IQJQZWQGDXDELW-UHFFFAOYSA-N 323.378 -0.217 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1c[nH]c2ncccc12 741764768 XTDSNKUOHRPNCF-MRVPVSSYSA-N 309.351 -0.049 50 20 DBGD COC(C)(C)C[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 745867334 PRUOZRDSBSWSFX-QMMMGPOBSA-N 300.359 -0.201 50 20 DBGD Cn1cc(C=NNC(=O)Cc2ccncc2)c(=O)n(C)c1=O 747641207 ZWWUODFIARVTLW-UHFFFAOYSA-N 301.306 -0.828 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)CCc1ccccc1 749848703 XYUNILKXSXAZPE-UHFFFAOYSA-N 320.349 -0.981 50 20 DBGD O=C(CC1CCCC1)NNC(=O)CN1CCCS1(=O)=O 749940895 WPEXMVMFTJRMDM-UHFFFAOYSA-N 303.384 -0.250 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)Cn2cc([N+](=O)[O-])cn2)n1 753450884 BFJNMCGQLFKHPW-UHFFFAOYSA-N 312.677 -0.040 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)NCC(F)F)cc1 753980673 AFNQNOAELUWXTQ-UHFFFAOYSA-N 315.276 -0.097 50 20 DBGD CS(=O)(=O)c1ccccc1C(=O)NNC(=O)Cc1cc[nH]n1 755283919 FZOCQUUCONZJDD-UHFFFAOYSA-N 322.346 -0.183 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(O)cc1O 757462111 VHEMKDSDZAYBAK-MRVPVSSYSA-N 315.351 -0.124 50 20 DBGD Cc1cnn(CC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764344883 KTXARJBITQMEQB-UHFFFAOYSA-N 316.321 -0.836 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1=O 771915785 ZQOXYKALKXHJHY-GFCCVEGCSA-N 304.350 -0.008 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccnc1N1CCOCC1 775550833 CNVIPINGPKGXCD-UHFFFAOYSA-N 322.369 -0.368 50 20 DBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 800328621 QYSWARSLLOQWDG-JXUBOQSCSA-N 319.383 -0.683 50 20 DBGD C[C@@H](C(=O)NNC(=O)NCC1CC1)n1cnc2c(N)ncnc21 823803881 GVBOWFPHPOSCCG-ZETCQYMHSA-N 318.341 -0.290 50 20 DBGD C[C@@H](CO)N(C)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 823923148 PIYRCOJDYYBODI-ZDUSSCGKSA-N 320.393 -0.321 50 20 DBGD C[C@@H](CO)N(C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 823977308 UDDTZWZPVRZNBW-WDEREUQCSA-N 319.365 -0.331 50 20 DBGD O=C(CCNC(=O)[C@H]1CCCN1)NNC(=O)c1ccccc1 844204448 NSPFZUWTJKZCTK-GFCCVEGCSA-N 304.350 -0.294 50 20 DBGD CN1CCC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1=O 852193591 SMCKHDVXLPNSNP-VIFPVBQESA-N 309.301 -0.215 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCSC#N 854362254 HRPUFAOHROKHFN-NSHDSACASA-N 312.395 -0.166 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)c1cncc(N2CCOCC2)c1 855357464 KEZUCUSUVPUYDM-UHFFFAOYSA-N 316.321 -0.284 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC2CCSCC2)N1 858696775 NFSHCOHYOGKWBZ-VIFPVBQESA-N 300.384 -0.261 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NN[C@H](C)C(F)(F)F 862312317 JJEUIDSYSSOBCL-APPZFPTMSA-N 324.303 -0.315 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n2nc(C)cc2n1 862451966 ICCKJRVBFOHEAC-VIFPVBQESA-N 316.321 -0.614 50 20 DBGD COc1cc(C)cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1O 862457303 GLIKIJBQOZGUDR-VIFPVBQESA-N 307.306 -0.251 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1(c2ccccc2)CC(=O)C1 863465824 HJPIRUFBMVIBLL-UHFFFAOYSA-N 324.358 -0.521 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)C2CCOCC2)CC1=O 883060960 CPIQQUMVDDEABM-LLVKDONJSA-N 313.354 -0.945 50 20 DBGD C[C@@]1(C(=O)NNC(=O)C(=O)N2CCCC2)C[C@H]1Br 906470652 NNFGCONJQRQCFL-RDDDGLTNSA-N 318.171 -0.070 50 20 DBGD CCN(CC)CCC(=O)NNC(=S)NCC(=O)N(C)C 918716727 BMNRHBGYURSDJC-UHFFFAOYSA-N 303.432 -0.698 50 20 DBGD O=C(NNC(=O)c1noc2c1CCCCC2)C(=O)NC1CC1 1116690533 JMEZYWOCMOFNJT-UHFFFAOYSA-N 306.322 -0.017 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)CCC2=O)cc1 1248684416 WPXMSXAXGRWAGF-VIFPVBQESA-N 319.317 -0.006 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1ccc(O)nn1 1318588252 UVDWPMGXUOEXDD-UHFFFAOYSA-N 304.262 -0.272 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 1323943285 CYXFPTOATYUKFT-UHFFFAOYSA-N 320.305 -0.960 50 20 DBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1325940391 IDUBLBQROZHDRE-ZJUUUORDSA-N 301.368 -0.418 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1331691895 QUNJYETYJQCFRJ-VHSXEESVSA-N 310.354 -0.939 50 20 DBGD O=C(CCn1cncn1)NNc1nccc(N2CCOCC2)n1 1340464611 FPBXRFRXVSHSBO-UHFFFAOYSA-N 318.341 -0.562 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1590000018 CVHISUARXOJQHP-GZMMTYOYSA-N 306.326 -0.756 50 20 DBGD CCOCC(=O)NNC(=O)NCc1ccc(-c2nn[nH]n2)cn1 1590798975 AWOZRJZJNKNQPF-UHFFFAOYSA-N 320.313 -0.871 50 20 DBGD CN(CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C1CC1 1591097917 SPHNWUTUIVBVBK-UHFFFAOYSA-N 317.357 -0.018 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@@H]1CC(=O)O 1591111567 PXSJXPAREXCLSV-QWRGUYRKSA-N 315.370 -0.256 50 20 DBGD CN1CCN(C(=O)NN=Cc2nc(-c3nn[nH]n3)cs2)CC1 1591190081 INDWKCNNJXZQRM-UHFFFAOYSA-N 321.370 -0.386 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCCCC(=O)O)ccc1=O 1594530510 YLLMRYUSFXBOQY-UHFFFAOYSA-N 310.310 -0.416 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)O)cc2F)nn1 1600931752 FCAAFWWOYFPFMB-UHFFFAOYSA-N 307.241 -0.273 50 20 DBGD Cn1ccnc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)c1=O 1606255750 ISJDJVPBCHBJPD-UHFFFAOYSA-N 318.322 -0.221 50 20 DBGD NC(=O)CCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606412784 JOAWESZYPAORJD-UHFFFAOYSA-N 317.309 -0.717 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1cscc1-c1nn[nH]n1 1609557968 GJXIQZFBHBFBCK-QMMMGPOBSA-N 324.322 -0.895 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cccnc1 21330359 URTYBNOGCCBXLI-UHFFFAOYSA-N 323.334 -0.858 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CN(C)CCO1 81234067 AOHJZNZQTPTXAR-NSHDSACASA-N 317.349 -0.266 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1cnn(C)c1 156155468 UESVGAXJMBCNDY-VOTSOKGWSA-N 307.354 -0.115 50 20 DBGD Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CN(C)C)c1 170796338 UNTBJYSRBGLYEN-UHFFFAOYSA-N 306.366 -0.258 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccc(C=O)cc1 263855210 PKQULPZXKZYPGC-UHFFFAOYSA-N 307.306 -0.450 50 20 DBGD Cc1cc(C)nc(NNC(=O)NC[C@H]2CN(C)CCN2C)n1 264841937 LGHFXSZMTOESIY-LBPRGKRZSA-N 307.402 -0.035 50 20 DBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)C3CCC3)C2=O)cn1 265418016 VJNGGTNGFIDPGT-NSHDSACASA-N 320.353 -0.344 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)COc2ccccc2O)C1=O 265853965 ZUEQUQDWBBJCJN-VIFPVBQESA-N 322.321 -0.668 50 20 DBGD C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccc(F)cc1 298093178 KXENSCMISBAAQL-SECBINFHSA-N 308.313 -0.593 50 20 DBGD CCOC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 495065891 JAMSGEZKUPTZOK-UHFFFAOYSA-N 318.355 -0.334 50 20 DBGD CC(=O)N1CCC(CNC(=O)c2ccc(B(O)O)cc2)CC1 584940901 AQHFVQXFPWRCPQ-UHFFFAOYSA-N 304.155 -0.645 50 20 DBGD N#CCCN(C[C@@H]1CCOC1)C(=O)c1cc(B(O)O)ccc1F 584941251 AHRZSDKZNLNQEH-NSHDSACASA-N 320.129 -0.102 50 20 DBGD CN(C)[C@@]1(CNC(=O)c2ccc(B(O)O)cc2)CCSC1 584956795 HXKOXGCSUQIFSB-CQSZACIVSA-N 308.212 -0.467 50 20 DBGD CN1CC[C@H]2CCN(C(=O)c3cc(B(O)O)ccc3F)[C@H]2C1 584972217 QHDWUZPIFVMNGZ-HZMBPMFUSA-N 306.146 -0.328 50 20 DBGD COCC(C)(C)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 585001303 UDDOHJGIYMAVAH-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD NC(=O)CNC(=S)NNC(=O)COc1ccccc1F 727065399 ZDRJZWVGYCBZJT-UHFFFAOYSA-N 300.315 -0.815 50 20 DBGD Cc1nn(CCC(=O)NNC(=O)c2cnn[nH]2)c(C)c1[N+](=O)[O-] 729458112 GTFGQTSOUNOIBA-UHFFFAOYSA-N 322.285 -0.622 50 20 DBGD C=CCN1CCC(NC(=O)NNC(=O)C(=O)N2CCCC2)CC1 730124690 BPDKYCSNCHCEJW-UHFFFAOYSA-N 323.397 -0.410 50 20 DBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)C(=O)N3CCCC3)cc12 748239916 MKSSIAUSMCCSOZ-UHFFFAOYSA-N 316.321 -0.350 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCNC(=O)C2)cc1OC 760234324 GAMNDOCJNJMUMW-JTQLQIEISA-N 321.333 -0.009 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ncc(F)cn1 762091391 YYRNFSAHUNBGOP-SNVBAGLBSA-N 324.316 -0.814 50 20 DBGD CO[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 771268132 YRLITXZZCROGNG-RKDXNWHRSA-N 307.372 -0.825 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc(OCC(N)=O)c1 775489088 MUIIRJXUMUPUAW-UHFFFAOYSA-N 309.326 -0.735 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)c(C)o1 781063671 KJWFQZGVUOQGLR-UHFFFAOYSA-N 304.328 -0.458 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)NCC(F)(F)F 798315490 IYELAGOJNPWGEC-UHFFFAOYSA-N 322.243 -0.245 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](S(C)(=O)=O)C1 800468694 NMFLYFZROYNTEW-VIFPVBQESA-N 305.400 -0.701 50 20 DBGD Cc1nc(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)n[nH]1 820114462 OSOIAVKCLAJCBF-UHFFFAOYSA-N 317.305 -0.112 50 20 DBGD CC(C)[C@H](C(=O)NN(C)[C@H](C)CO)N1CCCS1(=O)=O 823946687 MURYLGAXWHJWFS-GHMZBOCLSA-N 307.416 -0.610 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)nn1 833086082 HGHJLCCTYBXSTL-JGVFFNPUSA-N 307.310 -0.090 50 20 DBGD CO[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C12CCC2 838763531 DDIXBPRGSDIPQI-ZJUUUORDSA-N 310.354 -0.447 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)CC2 845353913 KWAAABPXPXJXCW-LLVKDONJSA-N 319.365 -0.476 50 20 DBGD O=C(NNc1nc2ccccn2n1)[C@H]1CCc2nnnn2CC1 846003919 VCBZQPOTFDJQSP-VIFPVBQESA-N 313.325 -0.188 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ncccc1F 846126035 SUFGSNUVMUWDQU-UHFFFAOYSA-N 305.335 -0.598 50 20 DBGD CC(C)C(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 847290364 YCBCXDQCFAYNKB-UHFFFAOYSA-N 305.400 -0.149 50 20 DBGD CO[C@@](C)(C(=O)O)C(=O)NNc1nc2ccccc2c(=O)n1C 852946692 ZCMCSDVFVMVZQJ-CQSZACIVSA-N 320.305 -0.134 50 20 DBGD COc1ccc(C(=O)NNC(=O)C[C@@H]2CC(=O)N2)cc1OC 854180069 IFEUDIALUXQBNU-VIFPVBQESA-N 307.306 -0.257 50 20 DBGD COC(=O)N(C)NC(=O)c1nc(S(C)(=O)=O)ncc1C 854409791 LWSSSYKSIYPCDH-UHFFFAOYSA-N 302.312 -0.468 50 20 DBGD Cc1ccc([C@H](C)[C@@H](O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862458189 ZKSCBLDRQHFSAK-ZKYQVNSYSA-N 319.361 -0.115 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCc3cccnc32)N1 862459381 SEMLEFPWWWEAPS-QWRGUYRKSA-N 302.334 -0.073 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2csc(NC3CC3)n2)N1 862461046 KYWUDCBDFMMEPC-SSDOTTSWSA-N 309.351 -0.243 50 20 DBGD CCOC(=O)CC1(S(=O)(=O)NNC(=O)c2cn[nH]c2)CC1 863413424 IHPDSHDOIARSDA-UHFFFAOYSA-N 316.339 -0.540 50 20 DBGD CN(CC(=O)NNc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 874649612 USAKJFFMNZYMLC-SNVBAGLBSA-N 316.358 -0.217 50 20 DBGD CN1CCC(N2CC[C@H](NCc3ccccc3B(O)O)C2)CC1 877026572 CLMCQCAHOGIGOU-HNNXBMFYSA-N 317.242 -0.376 50 20 DBGD C#CCCCC(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 887149050 HXENVJWFJIOCNX-TXEJJXNPSA-N 317.345 -0.112 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=S)NCCc1ccccn1 1318141119 PNUODTNVPJAISH-UHFFFAOYSA-N 309.395 -0.356 50 20 DBGD CC(=O)N1CC[C@@H](CN(C)CC(=O)NNC(=O)C(C)(C)C)C1 1319579507 IDGYEIAXMRITEO-LBPRGKRZSA-N 312.414 -0.020 50 20 DBGD O=C(CCO)NNC(=O)Nc1ccnn1Cc1ccccn1 1323985077 IKOACEBFAJTTMV-UHFFFAOYSA-N 304.310 -0.139 50 20 DBGD CCn1nc(C)c(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 1329531035 PTHSIKVQIAVPOT-LLVKDONJSA-N 307.354 -0.512 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(O)nc(C3CC3)n2)N1 1331689365 ARPAMZMKBYMIFF-SSDOTTSWSA-N 305.294 -0.901 50 20 DBGD Cc1ncc(/C=C\C(=O)NNC(=O)CS(C)(=O)=O)s1 1331832966 DMOJGDGGBHKOFH-ARJAWSKDSA-N 303.365 -0.343 50 20 DBGD Cn1[nH]cnc1=NC(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1351155437 KXFHKCJGRRWLDT-LDWIPMOCSA-N 316.159 -0.535 50 20 DBGD CS(=O)(=O)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1 1351649845 BPPDUKJUJJRGJT-LLVKDONJSA-N 309.347 -0.181 50 20 DBGD COC(=O)C[C@H](N)C(=O)NNc1cccc(C(=O)OC)c1F 1578818885 GWRAHWQTFBTUBT-QMMMGPOBSA-N 313.285 -0.054 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC2(N)CCCCC2)ccc1=O 1579953375 WMMBCYHSWXMDSL-UHFFFAOYSA-N 321.381 -0.009 50 20 DBGD CCOc1cc(C(=O)NNC(=O)CO)ccc1OCC(=O)O 1597005832 JRTBUYPARXSPOG-UHFFFAOYSA-N 312.278 -0.698 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)NCc1ccccc1 1601381732 DMJFIAQIJPQCLX-UHFFFAOYSA-N 318.293 -0.493 50 20 DBGD CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)C1 1603500522 CLUKIDLOOMAZCY-LJGSYFOKSA-N 301.299 -0.478 50 20 DBGD CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796361915 YCNRWMRWAHKJBY-QGKZMRNZSA-N 322.764 -0.119 50 20 DBGD CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835199763 JBNAAUQAGBYYAC-JQWIXIFHSA-N 308.737 -0.003 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1C 274050876 GZRQGQBCGSBMAS-LBPRGKRZSA-N 321.333 -0.195 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1cnc2sccc2c1=O 277923841 IZNWAPLEZSWQSD-UHFFFAOYSA-N 310.335 -0.624 50 20 DBGD CCC[C@@H](OC)C(=O)NNC(=O)CNC(=O)c1cccnc1 294871644 HQFLPQQQIUOVAA-LLVKDONJSA-N 308.338 -0.226 50 20 DBGD O=C1COc2ncc(C(=O)NNC(=O)c3ccc[nH]3)cc2N1 368429113 LHEVKCGPHWZIDC-UHFFFAOYSA-N 301.262 -0.185 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@]2(CCOC2)O1 584983940 PRPJBSAVARPZGU-ZUZCIYMTSA-N 323.129 -0.475 50 20 DBGD CC(C)N1C[C@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1=O 584995707 QKUPMRAZZFSQSD-JTQLQIEISA-N 322.145 -0.508 50 20 DBGD CCS(=O)(=O)C[C@H](C)NCc1ccc(B(O)O)cc1F 585023765 LTQFBLJBDMMDIB-VIFPVBQESA-N 303.164 -0.582 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 738136892 VBBWFRSFSWVUKH-RKDXNWHRSA-N 308.290 -0.058 50 20 DBGD COc1cc(OC)c2cc(C(=O)NNC(=O)CO)[nH]c2c1OC 753443085 RRHDTAAHEYFRHT-UHFFFAOYSA-N 323.305 -0.053 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)NC(N)=O)nc1C 775893907 CXWZJSXZANCCHS-ZETCQYMHSA-N 310.314 -0.538 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)N1CCC2(CC1)OCCO2 782477262 MFIYYMMEZRMQEZ-UHFFFAOYSA-N 322.387 -0.764 50 20 DBGD CC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)N1CCCC1=O 788168788 CVMWPLCONMUVEX-LLVKDONJSA-N 311.386 -0.624 50 20 DBGD COc1cc(NNC(=O)[C@H](CO)NC(N)=O)ccc1Cl 790179406 QEYKWADXVKJYSK-QMMMGPOBSA-N 302.718 -0.179 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1 802036199 RMSXWDZHCOZKBA-UHFFFAOYSA-N 314.305 -0.275 50 20 DBGD CSSCCNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 807234732 SIYCSHMSCZXPHV-SSDOTTSWSA-N 304.397 -0.057 50 20 DBGD CCC[C@H](C(=O)NNc1nc(C)cc(C)n1)S(N)(=O)=O 816837169 LVWIFZLXGUOPLG-SECBINFHSA-N 301.372 -0.006 50 20 DBGD C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN(C)C(N)=O 824746598 WNUORXPPSCITBW-SSDOTTSWSA-N 305.298 -0.324 50 20 DBGD CC[C@@H]1CCC[C@H]1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 825732285 SOYQPAUGAWMQKI-OPRDCNLKSA-N 305.400 -0.102 50 20 DBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)[C@H]1CCCCO1 836349825 MRVWYDMPRWNKOK-VXGBXAGGSA-N 314.386 -0.393 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 843659003 GYBRDLBMKALVFV-DTWKUNHWSA-N 306.384 -0.228 50 20 DBGD CN(C)N(C(=O)CN1CSCC1=O)[C@@H]1CCS(=O)(=O)C1 844340749 CHVRNKDMUUFSSC-SECBINFHSA-N 321.424 -0.988 50 20 DBGD CO[C@H](C)CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 851916991 PMHQJPUPIVENFW-SECBINFHSA-N 319.325 -0.359 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1nnn(C)c1C 854282509 YJEWWWSFMDRYPA-UHFFFAOYSA-N 300.388 -0.389 50 20 DBGD Cc1ncc(CN(C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 858694013 DQCHECNINJRCLN-VIFPVBQESA-N 311.367 -0.097 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H](O)c2ccccc2)N1 858695367 WWEBYOFSGSOOMO-QWRGUYRKSA-N 306.322 -0.671 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(N3CCCC3)nn2)N1 862454012 PMJKLQCKMPTIFH-VIFPVBQESA-N 318.337 -0.884 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cn[nH]c1 862473339 OIABLAYDLNOFNU-VIFPVBQESA-N 317.305 -0.188 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O 894135367 XHVJTSDOOLXEPQ-ZDUSSCGKSA-N 318.377 -0.256 50 20 DBGD C[C@@H](O)CN(C)NC(=O)Cc1cccc(NS(C)(=O)=O)c1 910168165 QEGOAHKADRGZBQ-SNVBAGLBSA-N 315.395 -0.056 50 20 DBGD CC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 913173131 NJIUMPJSXKYHPT-UHFFFAOYSA-N 313.335 -0.665 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1ccc2c(c1)OCO2 1116194532 QEQIKRNSEVCYEN-SNVBAGLBSA-N 308.290 -0.018 50 20 DBGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)OC)c1C 1116577166 KOSXBPFWIBMVSX-UHFFFAOYSA-N 313.314 -0.528 50 20 DBGD CN1CCc2ccc(NC(=O)NNC(=O)CCO)cc2C1=O 1116635796 LIAUMWLZVJXWBN-UHFFFAOYSA-N 306.322 -0.150 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 1118702723 HUHFGCYFMSWKBH-SVRRBLITSA-N 313.383 -0.732 50 20 DBGD COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)CCO)c1 1320241491 UQRZNSFKCOXTDR-UHFFFAOYSA-N 311.294 -0.828 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 1321186589 VRNKTHXRBKCPQV-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)c2ccc[nH]2)CC1 1321725323 QUJWORHEVPWKBF-UHFFFAOYSA-N 322.413 -0.015 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NCC2CC2)cc1 1322689000 JMAPODMHVKRTAL-UHFFFAOYSA-N 318.333 -0.393 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccccc1-n1cncn1 1325554634 LTFPPAMYCIEJAP-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNc1ncccn1 1326730577 VYYPNCTYCIJPOM-UHFFFAOYSA-N 308.323 -0.416 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CN1CCC(=O)NC1=O)C1CC1 1329350630 QZOODMAGUPDCRX-SSDOTTSWSA-N 313.383 -0.778 50 20 DBGD CCOC(=O)c1nn(C)cc1C=NNC(=O)[C@@H]1CCC(=O)N1 1331823039 XXJKBKJDSDEHSI-VIFPVBQESA-N 307.310 -0.675 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(C2CC2)on1 1337620540 QCKCQPYUGPKTJC-QMMMGPOBSA-N 313.335 -0.252 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1339526853 WEIYCQVIEYHDPL-PHDIDXHHSA-N 302.274 -0.233 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc2nn[nH]c12 1343291372 BEURMDZQWUQOOU-ZETCQYMHSA-N 323.334 -0.846 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1csc2nccn12 1348434674 ADILSCJFLWQSQF-UHFFFAOYSA-N 316.364 -0.870 50 20 DBGD CN1C[C@H](C(=O)NNc2cc(F)c(F)cc2F)NCC1=O 1578519192 HWZUVZCUEVMFFJ-SNVBAGLBSA-N 302.256 -0.023 50 20 DBGD O=C(Cn1cccn1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1592938678 WFXLTGUOYIIEJA-UHFFFAOYSA-N 312.293 -0.476 50 20 DBGD CN1CCN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C(=O)O)C1 1598614637 ASNMQIILPLIIOA-JTQLQIEISA-N 314.386 -0.872 50 20 DBGD Cc1nc2cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc2s1 1600725176 ADPSBMFAKOSRDS-UHFFFAOYSA-N 322.302 -0.225 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 1601553105 UNOJRBXCVPAVHC-QYNIQEEDSA-N 305.381 -0.219 50 20 DBGD C[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793116706 RENXUXUEBRNXID-NZFPMDFQSA-N 304.774 -0.395 50 20 DBGD C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 14311840 CSQYPZYQPRKEJO-PELKAZGASA-N 319.317 -0.359 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 65769688 FGZAUBRBQIJJER-UHFFFAOYSA-N 306.282 -0.019 50 20 DBGD COC[C@H](C)CNC(=O)NNC(=O)CNC(=O)c1ccco1 264083898 DLUMIZPMMZOSFE-SECBINFHSA-N 312.326 -0.378 50 20 DBGD C=CCCOCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 270453808 LFXMBTFDQNKLLV-GFCCVEGCSA-N 305.400 -0.040 50 20 DBGD Nc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)N1CCOCC1 272360543 BWASXZXMXUXMML-UHFFFAOYSA-N 309.282 -0.136 50 20 DBGD Cc1cccnc1NNC(=O)C1CCN(S(N)(=O)=O)CC1 276803524 YRSPMVLSDDXJIZ-UHFFFAOYSA-N 313.383 -0.251 50 20 DBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CNc2ccccc2)O1 287108941 NKGIYPOCCNENBF-GHMZBOCLSA-N 306.322 -0.721 50 20 DBGD C[C@H]1NC(C(=O)NNC(=O)C2CC2)=NN(c2ccccc2)C1=O 298668501 SEUQWJBOYBVMIH-SECBINFHSA-N 315.333 -0.118 50 20 DBGD NC(=O)NCc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1 299379941 NMJAMKZHQLEAAR-UHFFFAOYSA-N 321.337 -0.459 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2ccc[nH]2)C1=O 299456933 WLJULOVORHNIGB-CQSZACIVSA-N 319.321 -0.504 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)CBr)C1 400125070 NRGBMOHSBBTUDB-ZCFIWIBFSA-N 321.218 -0.708 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCN(S(=O)(=O)CC)CC1 490782231 IRNTWABHDSTCLS-KHPPLWFESA-N 301.368 -0.076 50 20 DBGD C[C@H](O)C[C@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584973499 AGDQBVXOCCZRFY-ONGXEEELSA-N 311.118 -0.883 50 20 DBGD COc1cccc(/C=C(/C(=O)NCB(O)O)n2nnnc2C)c1 585056394 UPIUQKAADFHDCA-GHXNOFRVSA-N 317.114 -0.884 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc[nH]2)c[nH]1 743251520 RQGHDZYWQCFCPK-UHFFFAOYSA-N 312.307 -0.247 50 20 DBGD CC[C@H](SC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746835701 QTPCTDJBDNIGOH-YUMQZZPRSA-N 309.413 -0.355 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 748635544 PFAGCKNTPZFFNO-QJPTWQEYSA-N 316.402 -0.149 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCN(C2CC2)C1 748636734 XGPQXHRQFIXNCF-MNOVXSKESA-N 314.386 -0.395 50 20 DBGD CS(=O)(=O)Cc1ccc(NC(=O)NNC(=O)CO)cc1 756270181 VTZKBDYXSXYQAE-UHFFFAOYSA-N 301.324 -0.624 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C1(O)CCOCC1 771868368 NJNLWDWIKNZTBT-UHFFFAOYSA-N 324.333 -0.237 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnn2cccnc12 771921259 IRPCMQHEZVXCHR-QMMMGPOBSA-N 305.294 -0.168 50 20 DBGD Cc1nccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 776495588 HONXPTCOWIOXFN-MRVPVSSYSA-N 313.339 -0.628 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1n[nH]c2c1CCCC2 777231434 XKXFQMPJYHRFCC-UHFFFAOYSA-N 307.354 -0.497 50 20 DBGD CCc1ccc(C(=O)NNC(=O)NCc2nnn(C)n2)cc1 787437412 RAYYPEJJQXEDHG-UHFFFAOYSA-N 303.326 -0.083 50 20 DBGD CC(C)(CCNC(=O)NNC(=O)C(=O)NC1CC1)C(=O)O 818625294 XRWCQTRBJINIAK-UHFFFAOYSA-N 300.315 -0.904 50 20 DBGD O=C(Cn1cnc(-c2nn[nH]n2)n1)NNc1c(F)cccc1F 826425696 PCRDRAPNFAOHSU-UHFFFAOYSA-N 321.251 -0.120 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C[C@@H]1CCC(=O)N1 854191085 TZVBPCAQAUCYAR-JTQLQIEISA-N 321.333 -0.110 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H]2C2CCOCC2)N1 858696770 NZCDCXBRAIFCOG-NEPJUHHUSA-N 324.381 -0.103 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2F)N1 862452015 INHMGVYDMIHHES-SECBINFHSA-N 310.241 -0.227 50 20 DBGD C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNC(=O)CS(C)(=O)=O 863467063 MAWXLYQMZNCWAT-JTQLQIEISA-N 323.374 -0.071 50 20 DBGD CNS(=O)(=O)CCCNS(=O)(=O)CCCCCl 867632863 RGFKJNMQHOILME-UHFFFAOYSA-N 306.837 -0.136 50 20 DBGD COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc(B(O)O)ccc1F 867943824 HGSRMNPRAOMAJY-KWQFWETISA-N 313.065 -0.769 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 887140969 ZOUKJZNDWVSKSS-LLVKDONJSA-N 315.395 -0.249 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CNS(=O)(=O)c1ccccc1F 910182394 XZGXZYTYLNTIOI-SECBINFHSA-N 319.358 -0.552 50 20 DBGD C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cc(B(O)O)ccc2F)[C@H]1C 911777945 IBSCZZANPLFUPL-CIUDSAMLSA-N 308.118 -0.757 50 20 DBGD CCC(=O)N[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1 914674422 OIJGHDMMMUVPET-SNVBAGLBSA-N 321.333 -0.095 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1cccnc1 1319920655 NNWXLIVXYFVKJF-TVQRCGJNSA-N 320.349 -0.953 50 20 DBGD Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)NN(C)C(N)=O 1320141596 CSLFMFQQDPOAKK-UHFFFAOYSA-N 316.321 -0.275 50 20 DBGD Cn1cnc(C=NNC(=O)CSc2nnc(O)nc2O)c1 1321539926 GLSRIWVIZSCDRS-UHFFFAOYSA-N 309.311 -0.741 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1C 1326048324 SARSNQDBKWJNSL-RKDXNWHRSA-N 309.326 -0.761 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCc2nnn(C(C)(C)C)n2)cn1 1326743897 OYUFCEDBZDQBCL-UHFFFAOYSA-N 321.345 -0.694 50 20 DBGD CN(CCNC(=O)NNC(=O)c1cccnn1)CC(F)(F)F 1333162078 WMECMQRGZTYRAF-UHFFFAOYSA-N 320.275 -0.085 50 20 DBGD CS(=O)(=O)Nc1cccc(C(=O)N2CC[C@H](B(O)O)C2)c1 1335429415 BYRIHUWGUBPPKU-JTQLQIEISA-N 312.156 -0.253 50 20 DBGD C=CCNC(=S)NNC(=O)CCc1nc(-c2nc[nH]n2)no1 1339802186 GCVQCMIBTPDXPX-UHFFFAOYSA-N 322.354 -0.531 50 20 DBGD Cn1nncc1NNC(=O)CCCNC(=O)c1cccnc1 1347987417 ARNIXTRLVVQQEG-UHFFFAOYSA-N 303.326 -0.137 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CN3CCN2C[C@H]3C)nc1 1351700422 RPGMDVSPRYVTSY-PWSUYJOCSA-N 319.365 -0.300 50 20 DBGD C[C@H](C(=O)NNC(=O)NC1CCCCC1)N1CCNCC1=O 1575068473 BPVYBHBUEZPOLV-SNVBAGLBSA-N 311.386 -0.530 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 1604435674 XZTPVAFYLLPHPP-MRVPVSSYSA-N 318.232 -0.095 50 20 DBGD CON(C)C(=O)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 1605141608 REUSDLSYTYSYEB-UHFFFAOYSA-N 320.313 -0.487 50 20 DBGD O=C(Cn1c(O)nnc1O)NNc1ccc(C(=O)O)c(F)c1 1608373202 HVDHGDYHEHCLLZ-UHFFFAOYSA-N 311.229 -0.330 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 43715093 ZCHQCTJPILEHMI-NSHDSACASA-N 322.321 -0.755 50 20 DBGD O=C(CN1CC[C@@H](CN2CCOCC2)C1)NNC(=O)C1CC1 129174637 QELQRTZIFDSXLW-LBPRGKRZSA-N 310.398 -0.802 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2CN(C)CCO2)c1 267995072 LOOJKIQRTHABPQ-CYBMUJFWSA-N 322.365 -0.415 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)n1 272573128 DEONQKFUPOVNMB-KWQFWETISA-N 323.353 -0.488 50 20 DBGD COc1ccnc(NNC(=O)[C@@H]2COCCN2CC(F)F)n1 274586748 IHNYPQMVYXIWAZ-QMMMGPOBSA-N 317.296 -0.106 50 20 DBGD Cc1c(NNC(=O)C(=O)NCC(=O)N(C)C)cccc1[N+](=O)[O-] 275872000 ORUJKUPKSRXIPC-UHFFFAOYSA-N 323.309 -0.449 50 20 DBGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)OC)cc1 276737157 DLNOEXNOXCSJIB-UHFFFAOYSA-N 315.351 -0.086 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCCS(=O)(=O)N(C)C)n1 291046601 VERMCKGLGJPNSB-UHFFFAOYSA-N 316.387 -0.389 50 20 DBGD CN(C)N(C(=O)COc1cccnc1)[C@H]1CCS(=O)(=O)C1 292521448 BSGLTZOOUYULBP-NSHDSACASA-N 313.379 -0.047 50 20 DBGD O=C(NNS(=O)(=O)C1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 294152722 HOIVNSXXZZMCEE-SECBINFHSA-N 322.408 -0.170 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CN3CCCN2CC3)n1 367160624 RPPGBOQMBULSAM-CYBMUJFWSA-N 320.397 -0.963 50 20 DBGD CC(C)CN1N=C(C(=O)NNC(=O)c2cnn(C)c2)CCC1=O 373330730 FUEOOPXVEJWSBV-UHFFFAOYSA-N 320.353 -0.185 50 20 DBGD Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C2)cn1 584956206 YLPWHWOYOUHRBP-LBPRGKRZSA-N 313.166 -0.195 50 20 DBGD O=C(NCCCNCc1ccc(B(O)O)o1)c1cccs1 585024376 VNRDUHABLADRSH-UHFFFAOYSA-N 308.168 -0.069 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNCc2ccc(B(O)O)cc2)O1 585034726 NBRNHBFRAWDQGA-ZIAGYGMSSA-N 306.171 -0.908 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2cnnn2)cc1C 726281354 ODFYGZBGPLOLDI-UHFFFAOYSA-N 317.309 -0.924 50 20 DBGD COC(=O)CN(C)CC(=O)NNC(=O)Cc1nc(C)cs1 741536011 ZSWAQPVIMGVSJW-UHFFFAOYSA-N 314.367 -0.754 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(=O)N(C)C 764191242 DSSLYMVZUTVNEC-UHFFFAOYSA-N 324.356 -0.003 50 20 DBGD COc1nccnc1NNC(=O)CCN1CCCS1(=O)=O 764469822 OJFUJKRSMLKMJY-UHFFFAOYSA-N 315.355 -0.646 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cnc2ccccc2n1 765989453 LWMARLHWXUGXGN-UHFFFAOYSA-N 316.321 -0.675 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 771601801 CZWCXGHRAQGWRY-BXKDBHETSA-N 319.317 -0.405 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1C(C)=O 772211128 FHHPXTMWOXQROR-KOLCDFICSA-N 313.354 -0.124 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2cc(Cl)nc(N)n2)C1=O 773863637 YMYJCIVRGJAYAU-UHFFFAOYSA-N 313.705 -0.951 50 20 DBGD COC(=O)Cn1cccc1C=NNC(=O)C(=O)N1CCCC1 776179689 CRSCEFKJTNVNLY-UHFFFAOYSA-N 306.322 -0.266 50 20 DBGD C#C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[C@H]1CCCO1 776225652 QHUHMUVLCBNEPN-LOWVWBTDSA-N 315.395 -0.452 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2COCCO2)c1 776537973 RDHFGHIMDQWMOT-NSHDSACASA-N 300.336 -0.051 50 20 DBGD Cn1ccc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 782185881 UZQJZAUKMHSNHW-CYBMUJFWSA-N 316.317 -0.050 50 20 DBGD COCCONC(=O)NNC(=O)[C@H]1COc2ccccc2O1 789336200 DFZHWMICHQEIHR-LLVKDONJSA-N 311.294 -0.265 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CCSc2nnnn2C)n1 794077279 MSHKTKPTFVTJKC-UHFFFAOYSA-N 321.366 -0.143 50 20 DBGD CO[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)c1cnn(C)c1 802032095 BHCQBDPVAHECNA-NSHDSACASA-N 304.310 -0.223 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](CC)S(=O)(=O)[C@H](C)C1 805771827 BAMAYOKVXQRKAR-VWYCJHECSA-N 319.427 -0.170 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)NCCC(=O)O 818635775 LBBYPOFCOXWLMP-UHFFFAOYSA-N 311.294 -0.121 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NN(CC)CCO)cc1 823837792 FYXCNWCQZVGGKX-UHFFFAOYSA-N 315.395 -0.056 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)[C@@H](C)CO)cc1 823983594 XNUCRXNSMYQBKC-VIFPVBQESA-N 301.368 -0.448 50 20 DBGD CCNC(=O)N(C)NC(=O)c1sccc1S(N)(=O)=O 831857268 ASGWREVROZUCQH-UHFFFAOYSA-N 306.369 -0.298 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCCS2(=O)=O)nc1 847615621 CTDISVXTPVHCQQ-VIFPVBQESA-N 313.335 -0.112 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](O)CCSC 854283149 JRRNDLQORZSCEQ-VIFPVBQESA-N 309.457 -0.026 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C(C#N)=C\c2cnn(C)c2)CC1 854383165 XSOOWKDCXPVLST-GHXNOFRVSA-N 317.353 -0.685 50 20 DBGD CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858254036 BKSHVWHLVOHGBU-HLTSFMKQSA-N 300.384 -0.121 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)NC[C@@H]1COCCN1 861682244 PTDBLCQZJYPFHF-LLVKDONJSA-N 310.329 -0.313 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(N3CCCC3)nc2)N1 862452250 DHXQJEKMRCCYEW-LLVKDONJSA-N 317.349 -0.279 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(NC3CC3)nc2)N1 862453395 UPRBJZNGAGOEAH-SNVBAGLBSA-N 303.322 -0.305 50 20 DBGD CC(C)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 862458552 GNDRLMXSGVWWQB-JTQLQIEISA-N 305.338 -0.059 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccc(Cl)s2)N1 863413617 KMPNGEZRVGVOOK-RXMQYKEDSA-N 323.783 -0.010 50 20 DBGD CO[C@H](CC(=O)NNC(=O)CS(C)(=O)=O)C(F)(F)F 863467399 VQABUOOIYWMESO-RXMQYKEDSA-N 306.262 -0.854 50 20 DBGD C[C@@H](CN1CCCCC1)NC(=O)NNC(=O)C(=O)NC1CC1 916461380 BQBYFDYISNKBDM-JTQLQIEISA-N 311.386 -0.530 50 20 DBGD CCNC(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 920858099 MBQVSSMFIXWGEC-UHFFFAOYSA-N 306.388 -0.458 50 20 DBGD C[C@H](NC(=S)NNC(=O)CC[C@@H]1NC(=O)NC1=O)C1CC1 1118702724 HUHFGCYFMSWKBH-XPUUQOCRSA-N 313.383 -0.732 50 20 DBGD CC(C)NC(=O)NNC(=O)c1ccc(S(N)(=O)=O)s1 1318273777 UEXVVFWZBBZIMU-UHFFFAOYSA-N 306.369 -0.252 50 20 DBGD N#CCc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1 1319336474 BWJAHDXTSXODKV-UHFFFAOYSA-N 324.362 -0.012 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)c2cnn(C)c2)s1 1319573514 RSIMETJCNXRSHL-UHFFFAOYSA-N 301.353 -0.192 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 1320711707 SXSRRTFYMXCBAG-UHFFFAOYSA-N 320.305 -0.781 50 20 DBGD Cc1ccccc1NC(=O)NNC(=O)C(=O)Nc1cnnn1C 1323907713 VBPVWZFUHIVYJM-UHFFFAOYSA-N 317.309 -0.085 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNc1ncc(F)cn1 1324539338 FKECNDUJAOXSOD-UHFFFAOYSA-N 312.305 -0.909 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(S(N)(=O)=O)c(C)o1 1328340056 QFTAEODLMGVODX-UHFFFAOYSA-N 306.369 -0.684 50 20 DBGD C[S@](=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 1330168606 NEYSXBGRLZIFAU-IBGZPJMESA-N 318.376 -0.770 50 20 DBGD CC(C)(C)N1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1334931826 ZYQYOBCHHMJFEP-JTQLQIEISA-N 311.386 -0.578 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1OCCc2ccccc21 1339819725 UZUAZOPPSFNAPM-NSHDSACASA-N 307.306 -0.196 50 20 DBGD COc1ccc(C(=O)NNC(=O)C[C@@H](CN)OC)c(OC)c1 1579194952 ZEVJRXZAHUZQLJ-JTQLQIEISA-N 311.338 -0.171 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@H]1NCC12CCOCC2 1580736528 WGDVCSDGWYRTHE-LLVKDONJSA-N 305.338 -0.575 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCn1ccc(C(=O)O)n1 1594644106 LGSHJMYOBGLBKZ-UWVGGRQHSA-N 324.337 -0.066 50 20 DBGD CN(C)C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cc(N(C)C)c1 1604670475 DQFZFIQVDPZSPC-UHFFFAOYSA-N 318.341 -0.151 50 20 DBGD Cc1nn(CC(=O)NNc2ccc(C(=O)O)c(F)c2)c(=O)n1C 1608003691 MEQHHKQGZSKTSX-UHFFFAOYSA-N 323.284 -0.129 50 20 DBGD O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NN=Cc1cccc([N+](=O)[O-])c1 6241271 NFEUOFFYZVHWIU-UHFFFAOYSA-N 317.261 -0.336 50 20 DBGD C/C(=C/C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 48953025 HRDYIBYPBYSMPE-BJPMOSCESA-N 301.368 -0.140 50 20 DBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)Cn2nc(C)cc2C)C1 133007192 VEXGCYHJSYDVES-GFCCVEGCSA-N 321.381 -0.094 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)Cn2nc(C)cc2C)c(=O)c1 194364523 RYKSEIPRBIODBE-UHFFFAOYSA-N 317.349 -0.182 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)COC1CCCC1 268905421 ZGEKXRKCFFDXEL-UHFFFAOYSA-N 320.349 -0.082 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cn1 274535625 ZPTVNZYUGCAKGR-UHFFFAOYSA-N 312.351 -0.497 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 299457189 VWQADQUTJMHRTH-UHFFFAOYSA-N 301.324 -0.078 50 20 DBGD CCn1cc(C(C)=NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 728434845 QYJBRHRMFZUJFB-SECBINFHSA-N 301.372 -0.319 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](N2CCNC2=O)C1 732198615 ZAYALCYCCTUNFJ-WDEREUQCSA-N 311.386 -0.578 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C 736308308 BXCKARDBLMDBOB-UHFFFAOYSA-N 310.339 -0.105 50 20 DBGD O=C(O)CSCCNC(=O)NNC(=O)Cc1ccccn1 739862890 HJOCAPSOAXPKQA-UHFFFAOYSA-N 312.351 -0.228 50 20 DBGD CC(C)(C)C(=O)NCCC(=O)NNC(=O)N1CCOCC1 745988120 QMAPLVYLPCSSCH-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD O=C(CO)NNC(=O)Nc1ccccc1CN1CCOCC1 756113550 DWXRQIOATPNPTO-UHFFFAOYSA-N 308.338 -0.336 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 764300390 ZLUBNRSNRAXVMH-UHFFFAOYSA-N 317.305 -0.191 50 20 DBGD COc1nccnc1NNC(=O)CCSc1nnnn1C 764465529 NKTJJOSQQNPQFH-UHFFFAOYSA-N 310.343 -0.366 50 20 DBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)Cc1cccnc1 773006492 UKIIUBGFRJQNJF-UHFFFAOYSA-N 307.354 -0.273 50 20 DBGD CCOCCO[C@@H](C)C(=O)NNC(=O)N1CCN(C)CC1 807383020 YUUMMNCQUXBZLO-NSHDSACASA-N 302.375 -0.584 50 20 DBGD CC[C@]1(C)NC(=O)N(NS(=O)(=O)CBr)C1=O 808310684 VNVXESGTNNUPOH-ZETCQYMHSA-N 314.161 -0.106 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)N2CCOCC2)CC1 824621221 KIWDCVPBTRDMRN-UHFFFAOYSA-N 314.342 -0.462 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ncncc1Cl 832672396 SXRXVGRPFURUGY-LURJTMIESA-N 307.763 -0.099 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)[C@@H]1CCO[C@H]1C 842592874 PVUFLXORYNCZAI-VHSXEESVSA-N 310.372 -0.975 50 20 DBGD O=C(Cc1cccnc1)NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 844653500 HEFHYBIWRSGZOD-RYUDHWBXSA-N 310.379 -0.026 50 20 DBGD O=C(NCC[C@]1(O)CCCOC1)NNC(=O)[C@@H]1CCCCO1 845720699 HCXKHMMOKFBRJZ-SMDDNHRTSA-N 315.370 -0.183 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1nc2ccccc2n1C 848379140 CGCVYGVANJSENC-MRVPVSSYSA-N 311.367 -0.046 50 20 DBGD Cc1c(C(=O)NNC(=O)c2cnc(C3CC3)nc2N)nnn1C 854893704 OTOJEXAECRRADA-UHFFFAOYSA-N 316.325 -0.552 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 855095992 ROYNZKKXVWTGDG-PSASIEDQSA-N 323.426 -0.081 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ccc(Cl)cn1 856096021 ZICOZVIUBMSYOF-UHFFFAOYSA-N 318.786 -0.092 50 20 DBGD CC1(C)C[C@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858528140 CSVJUHNOYWWERX-NXEZZACHSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H](CO)c2ccc(F)cc2)N1 858694728 CFGXRXDIZPVVQZ-GHMZBOCLSA-N 324.312 -0.532 50 20 DBGD CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858696339 KDEDIATYHNEFOB-RKDXNWHRSA-N 314.342 -0.817 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2nc3ccccn3n2)N1 860894904 BNBMHGWRUZGZMS-ZETCQYMHSA-N 303.282 -0.839 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 863867169 TUDHCMIRIRQQEX-AVWBDOJWSA-N 317.411 -0.102 50 20 DBGD O=C1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 863877929 IVZNOAFPMFCNOC-UONOGXRCSA-N 317.150 -0.423 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN1CC[C@@H](C)C1 897439072 OAZKVKNSELDKTL-NEPJUHHUSA-N 316.402 -0.290 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN1CCC[C@H]1C 897482815 FXRDCRUXKSBRCM-NEPJUHHUSA-N 316.402 -0.147 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)CN1CCCC1=O)CC2 913733138 XBAMVEKCCFZPJN-LLVKDONJSA-N 319.365 -0.476 50 20 DBGD O=C(N[C@H](CO)C[C@@H]1CCCO1)c1cc(B(O)O)ccc1F 923747270 HSXVGRHKOVBWFI-QWRGUYRKSA-N 311.118 -0.835 50 20 DBGD CNC(=O)NNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 1116085868 XKHLBSJZOVEIGT-UHFFFAOYSA-N 302.294 -0.455 50 20 DBGD CC(C)c1nccnc1NNC(=O)C(=O)NCC(=O)N(C)C 1256026609 VPEHKOIPOZCTPC-UHFFFAOYSA-N 308.342 -0.753 50 20 DBGD CONC(=O)CNC(=O)C(=O)NC[C@@]1(C)C[C@@H]1Br 1262294783 DYSCLTQZLPHLOR-QUBYGPBYSA-N 322.159 -0.930 50 20 DBGD C=CCNc1ncc(C(=O)NNC(=O)C(=O)NC2CC2)s1 1319292441 MPJBKAICDKEBOR-UHFFFAOYSA-N 309.351 -0.219 50 20 DBGD O=C(NNC(=O)c1cnn(-c2cccnc2)c1)C(=O)NC1CC1 1319879101 NXTBTHUPOLJNEV-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD Cc1ccn(C)c1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320572131 NPPIXCPPFNWGQI-SECBINFHSA-N 314.367 -0.535 50 20 DBGD C[S@@](=O)c1ccc(C=NNC(=O)CS(C)(=O)=O)cc1 1329558771 WMMJWYWBCKJSPZ-GOSISDBHSA-N 302.377 -0.081 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1c[nH]c2ncccc12 1331737011 SPHLKCZTRSGHOX-UHFFFAOYSA-N 310.335 -0.703 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnn(CCF)c1 1347485629 SFGVKEGUSAETNS-UHFFFAOYSA-N 313.333 -0.082 50 20 DBGD COC[C@@]1(C(=O)NNCC(F)(F)C(F)(F)F)CNCCO1 1578976540 BGEFCNZVIINFLX-MRVPVSSYSA-N 321.246 -0.190 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CNC2(CO)CCNCC2)c1 1579750249 LAFNTQHCZRDYCM-UHFFFAOYSA-N 320.393 -0.540 50 20 DBGD O=C(Cc1ccc2c(c1)NCC2)NNC(=O)[C@@H]1COCCO1 1580571220 PHVBPERQGXCPCJ-ZDUSSCGKSA-N 305.334 -0.240 50 20 DBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1592391366 IRTKIJZISIJIMM-ZCFIWIBFSA-N 306.282 -0.434 50 20 DBGD Cc1nnc(NNC(=O)c2cc(-c3nn[nH]n3)oc2C)nc1O 1592501803 UXMSFANMSIRCEJ-UHFFFAOYSA-N 317.269 -0.276 50 20 DBGD O=C(NNC(=O)c1ncccn1)c1cccc(-c2nn[nH]n2)n1 1593159333 IOOXVIKLNJXVDA-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 1593804858 VYXTZJDVOHIRDK-ZJUUUORDSA-N 321.289 -0.197 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1C(=O)O 1600341231 UJTWLBIMWXFZPC-UHFFFAOYSA-N 314.319 -0.501 50 20 DBGD O=C(NCc1ccn(Cc2ccccc2)n1)NNC(=O)C(=O)O 1601544708 GMJXUEDBZCQRAN-UHFFFAOYSA-N 317.305 -0.154 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ccccc2C(=O)O)C1=O 1606189820 SAHBCBBTWGLWMA-UHFFFAOYSA-N 306.278 -0.278 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 1610100760 KYXSANYJHSXCKR-BBBLOLIVSA-N 301.343 -0.646 50 20 DBGD C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)C(=O)NC1CC1 74746225 XIODWWYGQZCMHM-JTQLQIEISA-N 321.381 -0.045 50 20 DBGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)nnn1C 266558944 JGUXBRIFSPCTBL-AOOOYVTPSA-N 324.385 -0.616 50 20 DBGD Cc1n[nH]c(SCC(=O)NNC(=O)Cc2cccnc2)n1 266802323 FPQQALGKMOTNJW-UHFFFAOYSA-N 306.351 -0.010 50 20 DBGD O=C(N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(B(O)O)c(F)c1 584987821 VIRKGVJQWAINSB-STQMWFEESA-N 320.129 -0.611 50 20 DBGD COCC[C@](C)(O)C(C)(C)CNC(=O)c1cccc(B(O)O)c1 585006672 GEKFTXRSYHZKCM-INIZCTEOSA-N 323.198 -0.090 50 20 DBGD COC1CCN(C(C)(C)CNCc2ccc(B(O)O)o2)CC1 585028934 PLLNYYQGOOGYCW-UHFFFAOYSA-N 310.203 -0.062 50 20 DBGD COCCNC(=O)[C@H](CC(C)C)NCc1cccc(B(O)O)c1 585031738 JBGWXRXDKVVGED-HNNXBMFYSA-N 322.214 -0.367 50 20 DBGD C[C@H]1C[C@@H]1C(=O)NCCc1nc(-c2cccc(B(O)O)c2)no1 585053485 LPPQPYHCXKTBBX-CABZTGNLSA-N 315.138 -0.269 50 20 DBGD C[C@]1(NNC(=O)NCCn2cccn2)CCS(=O)(=O)C1 734279368 FIFXDLPRHOLPOP-NSHDSACASA-N 301.372 -0.736 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] 741204803 RSHUNDPVEQMSHC-UHFFFAOYSA-N 313.295 -0.021 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCO[C@H](C#N)C2)c1 744397942 GODWMGDWIRWTGZ-CYBMUJFWSA-N 313.317 -0.456 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 746510503 YOALNLDZRWDYMA-DWOQACPDSA-N 301.368 -0.029 50 20 DBGD CN(CC(=O)NNc1ncccc1[N+](=O)[O-])S(C)(=O)=O 759298241 VUNZRNQMOIIEKB-UHFFFAOYSA-N 303.300 -0.676 50 20 DBGD Cn1c(S(=O)(=O)NNC(=O)N2CCOCC2)cnc1Cl 765069656 AZJSRYNZAZYVDZ-UHFFFAOYSA-N 323.762 -0.691 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2CC2)cn1 770224445 XZRJCZLPJKOZFV-UHFFFAOYSA-N 313.339 -0.904 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)N1C(=O)CCC1=O 772023340 ZCLHEAHONIYRHB-HTQZYQBOSA-N 313.310 -0.987 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(C(=O)O)o1 773055313 MXKPLEYGKTXMBR-ZETCQYMHSA-N 317.323 -0.244 50 20 DBGD Cn1ncc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1N 777789741 HCKYUAMEGNYLFA-NSHDSACASA-N 317.305 -0.397 50 20 DBGD CC(C)C(=O)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 779726218 YJRWIKWUECODFO-WDEREUQCSA-N 306.322 -0.239 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@]2(CCCOC2)O1 796606074 BEWHTZMCBRWYOZ-IAQYHMDHSA-N 311.382 -0.186 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2cccn2)cc1 801105290 CFLIQSNYQUMIOA-UHFFFAOYSA-N 301.306 -0.022 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1 815570416 BONXREHIQJKGCS-SNVBAGLBSA-N 307.306 -0.731 50 20 DBGD Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CN(C)C 826249685 ONWYLBHYAYAMDJ-UHFFFAOYSA-N 303.326 -0.502 50 20 DBGD CNC(=O)NNS(=O)(=O)c1sc(C(=O)O)cc1OC 831000462 GIRTWZBEBJIBMV-UHFFFAOYSA-N 309.325 -0.423 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cc1cn2ccccc2n1 847544265 WXZGFXKPRAUKFW-MNOVXSKESA-N 315.333 -0.464 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)C1CCCC1 852279294 QMZLTLRCUDGXQM-NXEZZACHSA-N 319.383 -0.681 50 20 DBGD C=CC(=O)N(C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 858218761 SJEXRMKDPTZZNF-UHFFFAOYSA-N 319.317 -0.137 50 20 DBGD COc1cc(C)cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1O 862457302 GLIKIJBQOZGUDR-SECBINFHSA-N 307.306 -0.251 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@@H]2CCCCO2)n1C 863410808 LJYYGQAUCJVQLJ-VIFPVBQESA-N 302.356 -0.393 50 20 DBGD CCOC(=O)C[C@H](C)CNC(=O)c1cc(B(O)O)ccc1F 863877240 BPJJNAMGVLNVBG-VIFPVBQESA-N 311.118 -0.175 50 20 DBGD O=C(N[C@H]1CCCC2(C1)OCCO2)c1cc(B(O)O)ccc1F 863877651 CCIFGSRGPOJASR-NSHDSACASA-N 323.129 -0.079 50 20 DBGD O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(B(O)O)cc1 863877927 IVZNOAFPMFCNOC-KBPBESRZSA-N 317.150 -0.423 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2cccs2)[C@H](CO)C1 879003006 STLTWGDVUCIGTK-JTQLQIEISA-N 312.395 -0.883 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)Cn1ncc2ccccc21 913730828 KPTGGETZIONIII-UHFFFAOYSA-N 315.333 -0.194 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccccc1 914674421 OIJGHDMMMUVPET-JTQLQIEISA-N 321.333 -0.095 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1116598881 VQJMEDKNWWDNDR-UHFFFAOYSA-N 306.322 -0.544 50 20 DBGD CCOCCNC(=S)NNC(=O)CCN1CCOCC1 1251447337 JQVIBFQPZGAYMO-UHFFFAOYSA-N 304.416 -0.760 50 20 DBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1cnn(C)c1 1251922822 DIKKMJONEJSNAM-LLVKDONJSA-N 323.401 -1.000 50 20 DBGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)C2CCC2)C1 1255267071 MOFQFBVQUPBYAQ-UHFFFAOYSA-N 304.372 -0.992 50 20 DBGD CS(=O)(=O)CC1CCC(=NNC(=O)[C@H]2CCC(=O)N2)CC1 1261832956 HEBVIBZUYMPRGV-HCCKASOXSA-N 315.395 -0.028 50 20 DBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)Cc1ccncc1)CC2 1319399633 SKNIKVFOQQGLQT-LBPRGKRZSA-N 314.349 -0.066 50 20 DBGD CC(C)NC(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 1319501781 XVLWWFSEQJGYRO-UHFFFAOYSA-N 318.355 -0.319 50 20 DBGD COCC[C@H](Cc1ccco1)NC(=O)NNC(=O)C(=O)OC 1320203372 XPCUWLUOXSKGSJ-SECBINFHSA-N 313.310 -0.269 50 20 DBGD Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)CO 1320240880 KMSYIPGCABCWJZ-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD CNC(=O)CCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1326111785 OEFFASAHVCGAPC-SNVBAGLBSA-N 305.400 -0.605 50 20 DBGD C=CCNC(=S)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1326977656 FDQPLTJQOZGKRX-UHFFFAOYSA-N 311.323 -0.562 50 20 DBGD C[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1ccco1 1327607283 JZORURSFTMRESR-SECBINFHSA-N 319.321 -0.241 50 20 DBGD Cc1ncsc1CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329175022 LJUFOHQFCZJGDB-MRVPVSSYSA-N 311.367 -0.397 50 20 DBGD CN(C)c1cccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1329756587 YUIIEPPMPJLZEO-SNVBAGLBSA-N 320.353 -0.743 50 20 DBGD CC(C)OCCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331532475 IHNANVWBFMKLFK-JTQLQIEISA-N 300.359 -0.199 50 20 DBGD Nc1cnnc(NNC(=O)NC[C@H]2COCCO2)c1Cl 1333465918 MVCDIAGYTDMQII-LURJTMIESA-N 302.722 -0.246 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(=O)n(C)cn1 1335956760 TYDRSNIGECFMNJ-UHFFFAOYSA-N 313.383 -0.732 50 20 DBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](O)CN)cc1 1578184236 APJXEFXYVVVFDH-CABZTGNLSA-N 311.338 -0.680 50 20 DBGD C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NNC(=O)C(=O)O 1592180708 DILMXQIVYFKONA-ZCFIWIBFSA-N 309.282 -0.975 50 20 DBGD Cn1cncc1CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1592590040 GFESTXSJEMZYOA-UHFFFAOYSA-N 314.313 -0.179 50 20 DBGD O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnn(CCO)c1 1593168122 YFHFFQQEEBXXKT-UHFFFAOYSA-N 314.309 -0.188 50 20 DBGD COC(=O)CNC(=O)NN=C1CCN(CCCC(=O)O)CC1 1598864457 KQPGWROZNBIFJL-UHFFFAOYSA-N 314.342 -0.225 50 20 DBGD Cn1c(=O)oc2ccc(CNC(=O)NNC(=O)C(=O)O)cc21 1600898392 OBFZPXSAVRDMRY-UHFFFAOYSA-N 308.250 -0.954 50 20 DBGD O=C(NCc1ccc2c(c1)OCCCO2)NNC(=O)C(=O)O 1610698301 OYMUEJJPPWCXPR-UHFFFAOYSA-N 309.278 -0.237 50 20 DBGD CN(NC(=O)Cn1cc(Br)ccc1=O)C(N)=O 181077632 WSTSFDFJGYABNS-UHFFFAOYSA-N 303.116 -0.348 50 20 DBGD Cc1cccc(F)c1S(=O)(=O)NNC(=O)C(=O)NC(C)C 274767042 SOIZNRTYCLDMJJ-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 281631733 VCRRWSFLDSROTQ-KOLCDFICSA-N 310.354 -0.423 50 20 DBGD COCCS(=O)(=O)CC(=O)NNC(=O)Nc1ccccc1 283629826 BJXOMBVHEXJZPP-UHFFFAOYSA-N 315.351 -0.100 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NNC(=O)CO)C1 375255537 GTDDKVAZWKFHCO-OTYXRUKQSA-N 313.354 -0.227 50 20 DBGD CN(C)[C@@H](CNC(=O)c1ccc(B(O)O)cc1)c1ccco1 584924907 MRGGOGZRKMUCJW-ZDUSSCGKSA-N 302.139 -0.008 50 20 DBGD CN(C)C(=O)c1ccc(CNCc2cccc(B(O)O)c2)cn1 585036989 QEPHYODDSHCCAO-UHFFFAOYSA-N 313.166 -0.247 50 20 DBGD C[C@@]1(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CCOC1 733650973 DKTPWNFWESGRDA-NWDGAFQWSA-N 305.400 -0.206 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCC[S@@](C)=O 735102632 BOTUNBKEBWRINK-OAQYLSRUSA-N 313.379 -0.053 50 20 DBGD O=C(NNS(=O)(=O)c1cnc[nH]1)[C@@H]1COc2ccccc2O1 736540464 ZILQXLGEENYGBR-JTQLQIEISA-N 324.318 -0.441 50 20 DBGD COC[C@H]1CCCN1C(=O)NNC(=O)CNC(=O)c1ccco1 752010635 STNVZYNJHNNABX-SNVBAGLBSA-N 324.337 -0.139 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CO)cc1S(C)(=O)=O 753440188 XZWTZINCYKVLHF-UHFFFAOYSA-N 300.336 -0.594 50 20 DBGD O=C(NCC(F)F)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 753763349 PFQPLMOCQAYVFD-UHFFFAOYSA-N 316.220 -0.263 50 20 DBGD CC[C@@H](C)C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 755620319 WUWZTAMHKATUPU-MRVPVSSYSA-N 313.383 -0.281 50 20 DBGD CS[C@@H](C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 756949941 QBLYZISWBQMHTA-JGVFFNPUSA-N 309.413 -0.355 50 20 DBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 757797616 YYIOQUBXMCKFDY-JQWIXIFHSA-N 323.397 -0.578 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccnc3c2nnn3C)cn1 800894851 NWSPNXDGHUSGLZ-UHFFFAOYSA-N 300.282 -0.828 50 20 DBGD COCCCn1nccc1C=NNC(=O)CN1CCCC1=O 802710201 WGGNAZJACITRLK-UHFFFAOYSA-N 307.354 -0.008 50 20 DBGD COC(=O)c1cc(C(C)(C)NCC(=O)NNC(=O)C2CC2)no1 810049348 QBWNUAMERXDWRF-UHFFFAOYSA-N 324.337 -0.157 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]nc1-c1cnn(C)c1 843970708 JXVAJPQVAHQPEQ-PSASIEDQSA-N 318.337 -0.004 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](C)S(C)(=O)=O 854279795 JFWHZIQUYGIYAK-MRVPVSSYSA-N 311.429 -0.707 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 858918850 SVDGTKOZUUWETE-WDEREUQCSA-N 302.290 -0.648 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)[nH]n1 860480097 BQDGYUSBFZLKAS-ZETCQYMHSA-N 314.371 -0.731 50 20 DBGD O=C(NNC(=O)c1cccc(B(O)O)c1)NC1CCCCC1 863871080 YZHIPQCAAXYSSZ-UHFFFAOYSA-N 305.143 -0.357 50 20 DBGD Cc1ccn(C[C@H](C)C(=O)NNC(=O)N2CCN(C)CC2)n1 868122302 RXVMWFOXFUKEQD-NSHDSACASA-N 308.386 -0.184 50 20 DBGD O=C(CCCCN1CCOCC1)NNC(=O)c1cccnn1 882056820 GEYGSEZCPYSLPG-UHFFFAOYSA-N 307.354 -0.260 50 20 DBGD C=CC(=O)N(CC)CC(=O)NNC(=S)NCCSC 901291578 KHQIIKYYQXYICJ-UHFFFAOYSA-N 304.441 -0.121 50 20 DBGD C[C@@]1(C(=O)N2CCN(CC(N)=O)CC2)C[C@@H]1Br 906427698 DOGDVORQEZJXSQ-GZMMTYOYSA-N 304.188 -0.211 50 20 DBGD CCCNC(=O)CCC(=O)NNC(=O)C(=O)Nc1ccccn1 1116258212 NSQSOSKXEVUGQV-UHFFFAOYSA-N 321.337 -0.526 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCOC2(CCC2)C1 1253201620 YUZQVJNQBWWXGU-SNVBAGLBSA-N 310.354 -0.303 50 20 DBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1cccn1 1261436047 NWRRTAVTSJVWJJ-NXEZZACHSA-N 314.367 -0.584 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CC2CC2)cccc1C(N)=O 1320232948 WFTMBRKTVREXMZ-UHFFFAOYSA-N 318.333 -0.020 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1cn2ccccc2n1 1322253728 NIYNSYJABQFRSU-UHFFFAOYSA-N 305.294 -0.620 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(C)=O)c1 1323243422 LCIAANRHNUVSIT-UHFFFAOYSA-N 311.269 -0.239 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nc2nccc(C)n2n1 1324103558 RKHMHTVGTCWKLH-MRVPVSSYSA-N 320.309 -0.465 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N(C)C 1326089415 DYNXEGSBBLMCEE-UHFFFAOYSA-N 308.294 -0.989 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)CC(F)(F)F 1328415592 BRAVCFLLLBPPDX-UHFFFAOYSA-N 310.232 -0.582 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NNc2ccncn2)CC1 1328675409 SFAWXOIBKMSKKA-UHFFFAOYSA-N 313.383 -0.019 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](CO)c1cnn(C)c1 1329252460 IIXOHDFIYSPCLD-GDPRMGEGSA-N 311.342 -0.791 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2cccnn2)C1 1336996191 ZJOSCOHXYNXATM-LLVKDONJSA-N 302.338 -0.482 50 20 DBGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 1342593050 VIXDCXZYPJOIQW-UHFFFAOYSA-N 318.333 -0.068 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(-c2ccoc2)n1 1348478377 IHWKDIWYWJJTRC-JTQLQIEISA-N 317.305 -0.280 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(C2CCOCC2)nn1 1349433585 QSZUBIMZGPSCNP-MWLCHTKSSA-N 323.353 -0.184 50 20 DBGD Cc1ccn(C[C@@H](C)C(=O)NN(C)C(=O)N2CCNCC2)n1 1579810675 IQMSOPCGLKQCOW-LLVKDONJSA-N 308.386 -0.184 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 1599248359 WKNDCJZGBYNLLO-VHSXEESVSA-N 302.327 -0.312 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)c1 48025020 JCQAWPHPLRZEPJ-SNVBAGLBSA-N 314.363 -0.046 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnccn2)C[C@@H](C)O1 68194846 WDNQXADDLSKWGE-PHIMTYICSA-N 307.354 -0.263 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCS(=O)CC2)cc1 111223742 HUNZVHFDNCTNGO-UHFFFAOYSA-N 309.391 -0.180 50 20 DBGD CNC(=O)CCN(C)CC(=O)NNC(=O)c1ccc(F)cc1 170783585 DQSBZNYCCJIOJX-UHFFFAOYSA-N 310.329 -0.345 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CN(C)C)N1C[C@H](C)O[C@H](C)C1 247138920 JRLPVCDDPFJJPO-MBNYWOFBSA-N 314.430 -0.171 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H]2CN(C)CCN2C)n1 264777537 OVSTWKYCELJEAZ-JTQLQIEISA-N 309.374 -0.643 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CN(C)CCO2)c1 266794077 PXBZFMOKOOENKS-CYBMUJFWSA-N 307.350 -0.148 50 20 DBGD COCCN(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 294259899 FIMFRELQQXCAPO-UHFFFAOYSA-N 316.383 -0.445 50 20 DBGD C#CCO[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccs1 294460704 HIOWHOZXMYGLID-SECBINFHSA-N 309.347 -0.336 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(CCc2ccccc2)nn1 295380937 XPTYZWJHERKNFU-UHFFFAOYSA-N 316.365 -0.157 50 20 DBGD COCCN(C)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 297130634 PVSGKIOZXXUFDB-UHFFFAOYSA-N 320.393 -0.055 50 20 DBGD COc1ccnc(NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 369048990 ZGJMGAJBTCPDKO-WDEREUQCSA-N 322.369 -0.026 50 20 DBGD COC(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 493872072 DDRYWVPBAPJSBQ-UHFFFAOYSA-N 300.359 -0.436 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCCC[C@H]1c1nc[nH]n1 584968377 AOSVGBSDAGXQCA-LBPRGKRZSA-N 300.127 -0.148 50 20 DBGD CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc(B(O)O)c1 584974884 SOZWOJRXZJMANB-SNVBAGLBSA-N 305.061 -0.248 50 20 DBGD CNC(=O)NC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 585002477 WPCWAZDURDYIMT-UHFFFAOYSA-N 323.133 -0.961 50 20 DBGD C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCB(O)O 585056370 NTJHTPXEZHCKFP-SSDOTTSWSA-N 320.563 -0.865 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)NCc1ccco1 732084627 STYROGXHVGGFPB-UHFFFAOYSA-N 320.309 -0.428 50 20 DBGD NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2ccc[nH]2)c1 749716477 DYSLLTKUOGIZKA-UHFFFAOYSA-N 322.346 -0.122 50 20 DBGD O=C(NNC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)N1CCCC1 755214617 UYSOUOUDOAQWOR-UHFFFAOYSA-N 322.277 -0.316 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2cccc(C#N)c2)nn1 763038313 IOKSUFOQBZRYAU-VIFPVBQESA-N 314.305 -0.336 50 20 DBGD CCCCn1ncc(NC(=O)C(=O)NNC(=O)CN(C)C)c1C 764203711 JQRNCMGMUDHRRD-UHFFFAOYSA-N 324.385 -0.361 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(OCCF)c1 764299412 HHFFMQIOFSTFTK-UHFFFAOYSA-N 313.285 -0.233 50 20 DBGD COc1cccc([C@@H](O)C(=O)NNC(=O)N2CCOCC2)c1 764935690 SSDRZSRMYYPGER-GFCCVEGCSA-N 309.322 -0.198 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CCNC(=O)C2)nc1C 778422686 RCQXHKBSXRYDOA-VIFPVBQESA-N 321.337 -0.069 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(F)c1F 779844977 BZKIMVUFONMQAC-UHFFFAOYSA-N 323.277 -0.370 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NN=c2cc[nH]cc2)s1 781019779 JRHZGPXJQUAPTM-UHFFFAOYSA-N 312.376 -0.102 50 20 DBGD CC(C)Cc1ncc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 792357069 ZRWFYXFVZDUBAU-UHFFFAOYSA-N 322.369 -0.677 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2nccnc2C)CC1 799325830 MFAMNBTWFIRWCE-LBPRGKRZSA-N 320.397 -0.147 50 20 DBGD CCOCC(=O)NNC(=O)NCCN1CCN(C)C(C)(C)C1 799679079 FJBCVLYKJFWGKC-UHFFFAOYSA-N 315.418 -0.621 50 20 DBGD CC(C)C(=O)NNC(=O)CN1C[C@@H](C(N)=O)Cc2ccccc21 828282019 ZOCMKQVMYZREET-LBPRGKRZSA-N 318.377 -0.046 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1nc(N(C)C)no1 843970946 NKEMCAKQIXALBJ-IUCAKERBSA-N 311.342 -0.359 50 20 DBGD COc1ccc(NNC(=O)CN(C)S(=O)(=O)N(C)C)nc1 845991514 YJTIGSCWBOIKLO-UHFFFAOYSA-N 317.371 -0.729 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC([C@@H]3CCOC3)CC2)N1 858699635 VJNBTIFBELNDEI-VXGBXAGGSA-N 324.381 -0.246 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cnn(CC(F)F)c2)N1 860677340 IWRPYDLVOWGJLJ-SSDOTTSWSA-N 316.268 -0.421 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1n[nH]c2c1CCCCC2 863464709 MJZDMPYXKPBPCD-UHFFFAOYSA-N 314.367 -0.516 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 1116618508 AFCGGFNEOYUJOU-UHFFFAOYSA-N 322.321 -0.707 50 20 DBGD C[C@@H](NC(=S)NNC(=O)c1cn(C)c(=O)nc1O)C1CC1 1118774605 ORMLOHPVENPJCI-ZCFIWIBFSA-N 311.367 -0.607 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)o1 1118915543 ICUCZHDOGYDDIQ-MRVPVSSYSA-N 316.144 -0.781 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 1317760838 WTTKVWADASHBOE-UHFFFAOYSA-N 307.353 -0.947 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cn1 1321450097 VQHIXAYSGSMZOF-UHFFFAOYSA-N 300.278 -0.536 50 20 DBGD COCCn1cc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1322140575 ISPCOZHDSCSUMO-NSHDSACASA-N 314.367 -0.586 50 20 DBGD CN(C)c1cccnc1CNC(=O)NNC(=O)C(=O)NC1CC1 1324690992 SZVFOAPADUZJMT-UHFFFAOYSA-N 320.353 -0.743 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1329711366 BIEWHIMFNFVSKR-IVZWLZJFSA-N 304.368 -0.616 50 20 DBGD Cn1cc(N2CC[C@@H](NCc3cccc(B(O)O)c3)C2)cn1 1331060151 XNIYGJSMAIHWAH-CQSZACIVSA-N 300.171 -0.532 50 20 DBGD Nc1cnnc(NNC(=O)CNC(=O)[C@H]2CCCN2)c1Cl 1332451593 IYERRICPUSXNMV-SSDOTTSWSA-N 313.749 -0.977 50 20 DBGD CC(C)C(=O)NCCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1345734106 XGHKJNODRBFTIN-QWRGUYRKSA-N 314.386 -0.096 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@]1(O)CCSC1 1593165238 YFGGRWOHPFNKFJ-NSHDSACASA-N 307.339 -0.427 50 20 DBGD CN(C)N(C(=O)[C@H]1CC[C@@H](C(=O)O)C1)[C@@H]1CCS(=O)(=O)C1 1598257614 OQIZZNWDFLWMGE-HBNTYKKESA-N 318.395 -0.020 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(C(=O)O)co1 1602987711 WOQIAFGDMNKIKQ-SSDOTTSWSA-N 317.323 -0.244 50 20 DBGD O=C(NCCc1cn[nH]c1)NNc1ccc(-c2nn[nH]n2)cn1 1606796023 GEZVYTWASRJVAE-UHFFFAOYSA-N 314.313 -0.146 50 20 DBGD O=C(NNC(=O)c1sccc1-c1nn[nH]n1)c1cc[nH]n1 1606854361 MFXRIJCSNQZVKB-UHFFFAOYSA-N 304.295 -0.274 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1csc(C(=O)O)c1 1776042149 OLKZGTNSUYJGQP-ZCFIWIBFSA-N 319.364 -0.166 50 20 DBGD C[C@H]1CN(C)C[C@H](C(=O)NN=Cc2cc(C(=O)O)cn2C)O1 1776092627 WAHRFHGFQVWGSW-JOYOIKCWSA-N 308.338 -0.108 50 20 DBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1789861387 UYQZGNFFYOHNKG-YFKTTZPYSA-N 317.817 -0.058 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(F)c(F)c(F)c1 175468450 ZTZZZUDLWCAGEN-UHFFFAOYSA-N 318.255 -0.201 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CCC(=O)N2)nc1C 272149134 FUSRYYJHCLVJSL-SECBINFHSA-N 307.310 -0.317 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)n1C 273466180 IIJSHQIMVNTBMQ-QMMMGPOBSA-N 316.383 -0.659 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc2[nH]c(=O)[nH]c2c1 299350781 GWSQOBFMGUEIAY-UHFFFAOYSA-N 305.294 -0.457 50 20 DBGD CCOC(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 490851907 MHWHZUNRZQGVMA-UHFFFAOYSA-N 301.324 -0.134 50 20 DBGD CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C1 584962006 FUDWMVRCJXMRCY-SNVBAGLBSA-N 323.133 -0.961 50 20 DBGD CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584965149 OKNDHYCWJJPYFY-GWCFXTLKSA-N 322.145 -0.460 50 20 DBGD CN(Cc1ccncc1)C(=O)CNCc1ccccc1B(O)O 585022285 WESOFIJFAJJCFL-UHFFFAOYSA-N 313.166 -0.490 50 20 DBGD CN(C)[C@H](CNCc1ccccc1B(O)O)c1cnn(C)c1 585027870 FFRIVYHSZHFRBZ-OAHLLOKOSA-N 302.187 -0.508 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1ccc(F)cn1 731685018 OONSCBRGNFREPG-UHFFFAOYSA-N 305.335 -0.214 50 20 DBGD O=C(O)COc1cccc(C=NNC(=O)C(=O)NC2CC2)c1 733203393 HMDUMFROYHTGGJ-UHFFFAOYSA-N 305.290 -0.121 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)COc1cc(C)on1 740851544 KGVPPWRMMYWMBC-UHFFFAOYSA-N 312.326 -0.186 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)Cc1cn2ccccc2n1 746553526 MOZOUJSRJLPLIU-UHFFFAOYSA-N 303.322 -0.498 50 20 DBGD O=C(CCc1nc2ccccc2[nH]1)NNC(=O)C(=O)NC1CC1 752729086 LZWANSVUKXOFKQ-UHFFFAOYSA-N 315.333 -0.079 50 20 DBGD C[C@@H](CO)CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 759631257 ILQBUTHMKTWJBX-PWSUYJOCSA-N 307.416 -0.224 50 20 DBGD O=C(NNC(=O)c1cnn2ncccc12)C(=O)N1CCCC1 765279691 HEPJEKVRAVSKIJ-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD CC(C)(C(N)=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 767414894 KTSIRTWNQCHAMQ-UHFFFAOYSA-N 304.306 -0.404 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)NC3=O)n[nH]1 768276924 JDZJUGNZLGKXMG-UHFFFAOYSA-N 313.273 -0.323 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H](C)CS(C)(=O)=O 769769495 NADHHVQZODPXDY-SSDOTTSWSA-N 313.470 -0.475 50 20 DBGD C=CCNC(=S)NNC(=O)[C@]12CCC(=O)N1CCS2 798305628 YIDITOINRJQCPI-LLVKDONJSA-N 300.409 -0.267 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1cccnn1 816067809 ARZHKXFKJHKSIF-AOOOYVTPSA-N 301.306 -0.129 50 20 DBGD CC(=O)N[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)C1 817281504 XNDQGXSZNOEJDM-CQSZACIVSA-N 318.377 -0.034 50 20 DBGD O=C(COc1ccccc1-c1nn[nH]n1)NNC1=NCC(O)=C1 823050323 VCVHTGBRSNCIQO-UHFFFAOYSA-N 315.293 -0.280 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNC(=O)COCc1ccccc1 826055966 NPULPNYAOMEICT-CHWSQXEVSA-N 323.349 -0.053 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)[C@@H]1CCCCO1 846231911 PDQHVHNAFZCNQI-ZJUUUORDSA-N 308.342 -0.658 50 20 DBGD Cc1nn(CC(=O)NNc2nc3ccccn3n2)c(=O)n1C 847890885 BVZAIEDCQIBJGM-UHFFFAOYSA-N 302.298 -0.924 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=S)N[C@H](C)C1CC1 855096508 BXNSJGCULVDWGN-HTQZYQBOSA-N 322.456 -0.392 50 20 DBGD CN(CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCC1 858198639 WKRDHMYAFSEFOA-NSHDSACASA-N 311.386 -0.530 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN1CC(=O)N(C)C1=O 859303027 FOCJAWGOQYFADZ-UHFFFAOYSA-N 320.305 -0.650 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NC[C@@H]1COCCN1 861681073 DXKLWRXGUPTCJQ-SNVBAGLBSA-N 324.337 -0.910 50 20 DBGD CCN1CCN(CC(=O)NNc2cccc(C)n2)C(=O)C1=O 862524076 FLAOIIXUKWCPGV-UHFFFAOYSA-N 305.338 -0.476 50 20 DBGD CO[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863459911 JEKSCOUYOHVICR-LLVKDONJSA-N 300.336 -0.434 50 20 DBGD COC(=O)[C@@H](CNC(=O)c1ccc(B(O)O)cc1)CC1CC1 863886594 FXDWFMXOBRICNV-GFCCVEGCSA-N 305.139 -0.315 50 20 DBGD O=C(/C=C\CN1CCOCC1)NNC(=O)NCC(F)(F)F 868028308 VHILHMTTXMITDH-UPHRSURJSA-N 310.276 -0.233 50 20 DBGD CC(=NNC(=O)C(N)=O)c1ccc(O)c(CN2CCOCC2)c1 916273862 CSOMHRLFPNFHIG-UHFFFAOYSA-N 320.349 -0.450 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1=CCCOC1 1117440391 RIRVZWSNOYOHHL-JTQLQIEISA-N 301.343 -0.285 50 20 DBGD CC1(CCNC(=O)NNC(=O)C(=O)N2CCCC2)OCCO1 1320177216 JANCKWUJJJWZDN-UHFFFAOYSA-N 314.342 -0.908 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)C1CCC1 1320521094 MKYIGRJWVKKAMK-UHFFFAOYSA-N 306.322 -0.420 50 20 DBGD C#Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 1321615041 IMVKVGSYMYLLSU-UHFFFAOYSA-N 314.301 -0.968 50 20 DBGD Cn1nnc(Br)c1C(=O)NNC(=O)NC1CC1 1324736343 GQWZIPPOQUHLCT-UHFFFAOYSA-N 303.120 -0.316 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 1325929445 YWSGGUZLNQEXEX-UHFFFAOYSA-N 322.387 -0.383 50 20 DBGD O=C(Cc1csc2nccn12)NNC(=O)[C@@H]1CCC(=O)N1 1348387411 LVHHEXHPWVCGIC-QMMMGPOBSA-N 307.335 -0.636 50 20 DBGD O=C(NNC(=O)c1cccnn1)N[C@H]1CCN(CC(F)F)C1 1349796947 TWFISIIFOOVISC-QMMMGPOBSA-N 314.296 -0.240 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1cccnc1 1351153988 VMEWOLNKICDQNI-DGCLKSJQSA-N 303.366 -0.840 50 20 DBGD C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)C1CNC1 1575068413 ACXIMFAYZKJKMZ-JTQLQIEISA-N 302.334 -0.060 50 20 DBGD COCCCNC(=O)NNC(=O)c1c[nH]nc1[C@H]1CCNC1 1579016495 JVKZBCJPSQSILG-VIFPVBQESA-N 310.358 -0.533 50 20 DBGD O=C1COc2ncc(C(=O)NNC(=O)[C@@H]3CCCNC3)cc2N1 1580853353 ZFZQRSZLUWFSOZ-MRVPVSSYSA-N 319.321 -0.827 50 20 DBGD COC1(C(=O)NNc2ncccc2C(=O)O)CS(=O)(=O)C1 1593944162 ZCHFQAYIKANRNZ-UHFFFAOYSA-N 315.307 -0.964 50 20 DBGD Cc1cc(CC(=O)NNC(=O)C2(C(=O)O)CCOCC2)n[nH]1 1594300861 VLYQVEVIHVSPQA-UHFFFAOYSA-N 310.310 -0.711 50 20 DBGD NC(=O)c1ccc(NNC(=O)Cc2ccccc2C(=O)O)nn1 1605641582 RGGAMRUBOPALAH-UHFFFAOYSA-N 315.289 -0.041 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(-c2nn[nH]n2)[nH]1 1606849225 GWOIOCSFAPITPT-BRDIYROLSA-N 317.309 -0.477 50 20 DBGD CC1(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)COC1 272751633 LWRCXPFPXZYJNB-UHFFFAOYSA-N 312.347 -0.112 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccccc1-n1ccnn1 273142982 UQBKFMYTRNMOHS-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD COCCN(C)NC(=O)c1cc(C)c2c(O)nc(O)nc2n1 297216703 XGBLMJYXGGMRPI-UHFFFAOYSA-N 307.310 -0.033 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccccc1-n1cnnn1 299394838 STDDGILXDIKZKI-UHFFFAOYSA-N 317.309 -0.651 50 20 DBGD COc1ccnc(NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n1 362870621 FVWWSOAKJWQATI-QMMMGPOBSA-N 317.309 -0.296 50 20 DBGD CSSCCN=c1[nH]c2c(=O)n(C)c(=O)n(C)c2[nH]1 397896698 QGALYHTYCNOXNS-UHFFFAOYSA-N 301.397 -0.195 50 20 DBGD CC(C)(C)N1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CC1=O 584953659 BJSOWZKJIVOEJG-JTQLQIEISA-N 322.145 -0.365 50 20 DBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)N1CCCCC1=O 584980253 UYVUNCXHMZXPQH-JTQLQIEISA-N 322.145 -0.364 50 20 DBGD O=C(NC[C@@H](CO)Cc1cccnc1)c1ccc(B(O)O)cc1 584983885 VKDBEVZBHFMAOI-ZDUSSCGKSA-N 314.150 -0.658 50 20 DBGD CCc1nnc(CNC(=O)c2cc(B(O)O)ccc2F)s1 584990361 CKWRNBSKTAIHLB-UHFFFAOYSA-N 309.131 -0.151 50 20 DBGD CC(C)(C)n1nnc(CNC(=O)c2cc(B(O)O)ccc2F)n1 585005111 XVRHFFSSMKNKLM-UHFFFAOYSA-N 321.121 -0.823 50 20 DBGD CN1CC[C@@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC1=O 585048598 BFDLROBFOFZVFY-SNVBAGLBSA-N 301.111 -0.248 50 20 DBGD Cc1cc(C(=O)NCB(O)O)cc(S(=O)(=O)N(C)C)c1C 585058139 UATWCYCYROFNFV-UHFFFAOYSA-N 314.172 -0.704 50 20 DBGD COCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)[C@H](C)C(N)=O 732201807 OHJKHMINVRRUNR-MNOVXSKESA-N 316.402 -0.609 50 20 DBGD CCn1cc(C=NNC(=O)CSc2nnc(O)nc2O)cn1 732528190 FHYKIPRHTZQCJW-UHFFFAOYSA-N 323.338 -0.258 50 20 DBGD C[C@@]1(O)CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1 748832495 LTTXRQRPODINKE-OAHLLOKOSA-N 302.334 -0.224 50 20 DBGD Cn1nnc2cc(C(=O)NNC(=O)Cc3cccnc3)cnc21 754232795 BUIIUAICZDBEOD-UHFFFAOYSA-N 311.305 -0.238 50 20 DBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCO1 758036406 RWPBQYPVYYYWSF-IVZWLZJFSA-N 321.399 -0.723 50 20 DBGD CCS(=O)(=O)CCN(C)[C@H](C)C(=O)NNC(=O)CC(C)C 759366884 RNSZUKOLRNFALO-LLVKDONJSA-N 321.443 -0.065 50 20 DBGD COc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1[N+](=O)[O-] 767464068 YPUFFULEQMHMGF-UHFFFAOYSA-N 324.293 -0.111 50 20 DBGD Cc1ccn(CC(=O)NNc2ccc(C(N)=O)nn2)c(=O)c1 774022920 FZHUHVYCSWLGTB-UHFFFAOYSA-N 302.294 -0.811 50 20 DBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CO 774326424 GPJZKUUGMBWJIZ-UHFFFAOYSA-N 300.340 -0.959 50 20 DBGD NC(=O)COc1ccccc1C(=O)NNC(=O)c1ccc[nH]1 776854511 RPOJSNDGJLJPMF-UHFFFAOYSA-N 302.290 -0.046 50 20 DBGD CC(C)NS(=O)(=O)CCNS(=O)(=O)CBr 782433502 UMMNYIDDBCEAQP-UHFFFAOYSA-N 323.234 -0.414 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)COCc2ccccc2)n1 787443120 WXQYMHSLOMHFMU-UHFFFAOYSA-N 319.325 -0.743 50 20 DBGD Cc1nnsc1C(=O)NNC(=O)CNC(=O)c1cccnc1 788001915 UFNAGDLERNZGOG-UHFFFAOYSA-N 320.334 -0.567 50 20 DBGD N#CCc1cccc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 794580382 CRECFBILNZOMSK-UHFFFAOYSA-N 324.362 -0.012 50 20 DBGD CN(NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C1CC1 824193775 KFFOIWALVWIDBZ-UHFFFAOYSA-N 322.369 -0.127 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)CN1CCCC1=O)c1ccc(F)cc1 828344573 RECSAUIQXAWWCU-HNNXBMFYSA-N 323.324 -0.197 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1=O 843648536 XWAMURAZXGOBNK-AXFHLTTASA-N 313.354 -0.946 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1 843652398 AYTFHHWHPYCVAL-VXNVDRBHSA-N 314.367 -0.064 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCNC2=O)c1 854190726 HKUVMLZKRAFERR-LBPRGKRZSA-N 305.334 -0.034 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)[C@H]1CCCCO1 858830484 XBMOPFLLTVTIMB-SECBINFHSA-N 303.315 -0.925 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCCO3)N1 862449850 UINDUBBWQXFJDU-SNVBAGLBSA-N 319.317 -0.113 50 20 DBGD CO[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccc(F)cc1 863467120 NYUIWGABMRIPKB-LLVKDONJSA-N 318.326 -0.295 50 20 DBGD CC(C)(C)OC(=O)C1CN(C(=O)c2cc(B(O)O)ccc2F)C1 863883897 QZPOIWCBANDXBY-UHFFFAOYSA-N 323.129 -0.081 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)CN2CCCC2=O)c1 916147936 PNJANKMTTXWIRT-UHFFFAOYSA-N 319.317 -0.143 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1116357362 SLAJNZYREJTEFW-VIFPVBQESA-N 317.371 -0.253 50 20 DBGD Cc1nccn1CCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1261787135 FDUFGEZCEKJSDA-SNVBAGLBSA-N 308.342 -0.809 50 20 DBGD CC(C)c1noc(CCC(=O)NNC(=O)CS(C)(=O)=O)n1 1261835562 ZFTPGNOJZSYACF-UHFFFAOYSA-N 318.355 -0.682 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 1319081278 AEZPUFJFKDCHTJ-UHFFFAOYSA-N 304.328 -0.755 50 20 DBGD Cc1nn(C)cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 1319268829 BDTNFOJPUPCBCS-UHFFFAOYSA-N 316.321 -0.685 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc[nH]2)O1 1319806688 XMBNINQBDSCVKY-KOLCDFICSA-N 323.353 -0.406 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 1320510215 KMBMCCKAJKRKIG-ZCFIWIBFSA-N 306.278 -0.488 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nc1 1322567196 UGTLSCCZOXVEDK-SECBINFHSA-N 308.319 -0.851 50 20 DBGD CC1(NC(=S)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1327625632 BQJTXCITXKRHJT-SSDOTTSWSA-N 306.413 -0.596 50 20 DBGD CN(C)N(C(=O)[C@H]1CCCNC1=O)[C@H]1CCS(=O)(=O)C1 1332138911 YJLIOSGFLPSCKE-UWVGGRQHSA-N 303.384 -0.995 50 20 DBGD CCNC(=O)N(C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 1342046500 PNSAEFISNOVLSF-QMMMGPOBSA-N 309.413 -0.401 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc2c1CCN2C(C)=O 1342730510 AWOXICCPUSDMBC-UHFFFAOYSA-N 320.305 -0.079 50 20 DBGD COc1ccc(NC(=S)NNC(=O)c2cnnn2C)cn1 1348986086 OXXAWNMJDPHSLD-UHFFFAOYSA-N 307.339 -0.150 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc(-c2nn[nH]n2)c1 1591012371 PLBMTDGEJUUCRW-UHFFFAOYSA-N 304.314 -0.419 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1594644801 NUTILFZSTNBRJK-UKKRHICBSA-N 314.338 -0.171 50 20 DBGD O=C(O)c1cc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)ccc1F 1602286418 FADMICBMOZJECQ-VIFPVBQESA-N 317.298 -0.341 50 20 DBGD CS(=O)(=O)NCCC(=O)NNc1ccc(C(=O)O)cn1 1610375678 SBBLWMHCUAZHBZ-UHFFFAOYSA-N 302.312 -0.838 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 43715095 ZCHQCTJPILEHMI-LLVKDONJSA-N 322.321 -0.755 50 20 DBGD COCCN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 54353977 RGVSGTMDJZQTLC-UHFFFAOYSA-N 310.310 -0.066 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1cnccn1 271103071 KOGDFBYMMDPRIM-UHFFFAOYSA-N 324.341 -0.439 50 20 DBGD CN(C)[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccccc1 299357251 SYXJIZFUVBCRRJ-LBPRGKRZSA-N 304.350 -0.285 50 20 DBGD O=C(NNC(=O)[C@@H]1CCOC1)c1ccc(-n2cnnn2)cc1 299471289 BQISJYZEMJGIMG-SNVBAGLBSA-N 302.294 -0.540 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nccn2C1 376957513 KROHUXTUSNDMEV-SNVBAGLBSA-N 321.381 -0.102 50 20 DBGD CCOC(=O)N1CCC(C(=O)NNC(=O)CN(C)C)CC1 491428603 MZZPBRLNCCDDAC-UHFFFAOYSA-N 300.359 -0.436 50 20 DBGD CN1CCN(CCCN(C)C(=O)c2cccc(B(O)O)c2)CC1 584942691 WCTLYWQAOMOKJT-UHFFFAOYSA-N 319.214 -0.924 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](c2nn[nH]n2)C1 584964471 FIBYYOCTYOPCSA-SECBINFHSA-N 319.105 -0.962 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@]12CCOC2 584985633 OZYCHKAUCAFERO-CQSZACIVSA-N 309.102 -0.863 50 20 DBGD CC(C)[C@H](CNCc1cccc(B(O)O)c1)N1CCN(C)CC1 585017954 OWJDKVDDAUVFCL-KRWDZBQOSA-N 319.258 -0.272 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNCc2ccc(B(O)O)cc2F)O1 585033549 DWFBSQNSQJEGEF-JSGCOSHPSA-N 324.161 -0.769 50 20 DBGD Cc1nn(C)c(N2CCOCC2)c1CN1CC[C@H](B(O)O)C1 585076739 NZSDAOZLHKYTQQ-LBPRGKRZSA-N 308.191 -0.386 50 20 DBGD C[C@@H]([C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1)N1CCOCC1 735581926 STZQZIWHGUDVMO-MNOVXSKESA-N 324.385 -0.527 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1c[nH]nc1C 746234316 CHJPIFFHLSGXIW-UHFFFAOYSA-N 317.371 -0.849 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2cnn(C)c2)C(=O)C1 750057233 PUHBKYZQVXEAQF-SNVBAGLBSA-N 322.369 -0.985 50 20 DBGD COCCC(C)(C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 760244528 PHCVOIOFFHPPFK-MRVPVSSYSA-N 309.388 -0.866 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ncc(F)cn1 762091388 YYRNFSAHUNBGOP-JTQLQIEISA-N 324.316 -0.814 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)N1CCc2c(F)cccc21 764317748 QDRRMISRQWNZMF-UHFFFAOYSA-N 309.297 -0.101 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 768247905 ONSPPOUNOBYBFM-UHFFFAOYSA-N 323.305 -0.937 50 20 DBGD COc1ccnc(NNC(=O)c2cccn3c(O)nnc23)n1 770472505 BEIMAGXCDCKBOV-UHFFFAOYSA-N 301.266 -0.010 50 20 DBGD COC(=O)c1cccc(NNC(=O)C[C@H](NC(C)=O)C(N)=O)c1 781038633 IAUSNQJNGKXLAM-NSHDSACASA-N 322.321 -0.704 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1 786173533 JHJVNUYDMXQOMU-LLVKDONJSA-N 319.317 -0.388 50 20 DBGD COc1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)nc1 789917825 UVBMMKFSJALGKV-UHFFFAOYSA-N 306.322 -0.598 50 20 DBGD CCC[C@H](CCCS(C)(=O)=O)C(=O)NNC(=O)CN(C)C 790634287 DZPWSGVUKMKQHB-LLVKDONJSA-N 321.443 -0.064 50 20 DBGD COC(=O)[C@@H]1[C@H]2CN([C@@H](C)C(=O)NNC(=O)CC(C)C)C[C@H]21 794971508 IUVDWTBMTUGWCS-MEWQQHAOSA-N 311.382 -0.081 50 20 DBGD O=C(NN=Cc1cc(CO)ccc1O)[C@H]1CCS(=O)(=O)C1 814781438 JMSVROWUDQPXDT-JTQLQIEISA-N 312.347 -0.231 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1 816819127 VJEFWJVDVHDZEZ-UHFFFAOYSA-N 317.754 -0.078 50 20 DBGD CCNC(=O)NNC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 822782670 ZPWQCALALVYFQV-QMMMGPOBSA-N 300.315 -0.177 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F 823558578 KKUGNRBHPBCNGO-WDSKDSINSA-N 312.317 -0.232 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)nn1 831769118 FHVPTVYYSNPCAA-JGVFFNPUSA-N 323.309 -0.159 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 854927222 ZHCUFFNDDZXXDE-PHDIDXHHSA-N 312.317 -0.089 50 20 DBGD CCN1C[C@H](C)N(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H]1C 858695038 DJOVGTFLPAMUPH-DCAQKATOSA-N 311.386 -0.580 50 20 DBGD COc1ncc(C)cc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860723842 RXBWQGKEXJWFJX-QMMMGPOBSA-N 307.310 -0.170 50 20 DBGD Cn1nc(C(F)(F)F)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458602 CENFXJKSGXSSOW-YFKPBYRVSA-N 319.243 -0.522 50 20 DBGD COc1cc(O)c(C=NNC(=O)CS(C)(=O)=O)cc1OC 863187887 TUJCXXJFQREWIR-UHFFFAOYSA-N 316.335 -0.096 50 20 DBGD CN(C)CC(C)(C)CNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863203677 ILLMVONHEUNWIW-VIFPVBQESA-N 315.443 -0.652 50 20 DBGD Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)CS(C)(=O)=O)n1 863459506 CRNMONFJACBCHH-JTQLQIEISA-N 316.383 -0.357 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(C2OCCO2)CC1 863871928 GURVUMSASJHXCR-UHFFFAOYSA-N 305.139 -0.409 50 20 DBGD OB(O)c1ccccc1CNC[C@H]1COC2(CCOCC2)O1 863890722 CAVPSDIEZVMSIC-ZDUSSCGKSA-N 307.155 -0.622 50 20 DBGD CCCN1CCC[C@H](C(=O)NNC(=O)COCCOC)C1 913433157 DDLMRQRWHOZSJS-LBPRGKRZSA-N 301.387 -0.081 50 20 DBGD CC(C)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 915775985 JUWBJDTUKPVASR-UHFFFAOYSA-N 324.362 -0.360 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCc3nccn3C2)nn1 1118743155 WZGVILCQKICETQ-MRVPVSSYSA-N 301.310 -0.522 50 20 DBGD N#CCOc1cccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1118884924 SQYUAWYJUNFCLM-LBPRGKRZSA-N 316.317 -0.443 50 20 DBGD CN1CCNC[C@@H]1C(=O)NNc1ccccc1S(C)(=O)=O 1121953771 IXWAGARTZRQYES-LLVKDONJSA-N 312.395 -0.563 50 20 DBGD CN(C)C(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)s1 1318036834 GBFAWVWCGGMJPJ-UHFFFAOYSA-N 306.369 -0.760 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C1=CCN(C)CC1 1319959878 KRCOOCHUMHICLI-NSHDSACASA-N 323.397 -0.410 50 20 DBGD COCC(=O)NCCC(=O)NNc1ccc(C(=O)OC)cn1 1320252002 CEEAOCOUFLUMOH-UHFFFAOYSA-N 310.310 -0.536 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 1323916294 HSXYDRJGHLSFKD-JTQLQIEISA-N 308.342 -0.625 50 20 DBGD COC(=O)c1cc(C=NNC(=O)C(=O)Nc2ccccn2)on1 1327800830 DPBIRJLLSXOKMI-UHFFFAOYSA-N 317.261 -0.055 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H]3OCCC[C@H]3C2)N1 1328717871 DOPCWOAXDRMIFR-HBNTYKKESA-N 310.354 -0.493 50 20 DBGD Cn1nc2ccccc2c1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331690479 JPCYFMVVJYHQAU-SNVBAGLBSA-N 301.306 -0.387 50 20 DBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)Cc1ccccc1 1332707949 RECUOOYGIBWNEW-UHFFFAOYSA-N 318.377 -0.112 50 20 DBGD C=C[C@H](COC)NC(=O)NNC(=O)CNC(=O)c1ccco1 1339421502 HRSAWZIYRZOSHJ-SECBINFHSA-N 310.310 -0.459 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 1343341109 PNNQQQFCPRWLEP-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)C(=O)OC)ccc1F 1346529871 OFFQIKCBMWOVNB-UHFFFAOYSA-N 311.269 -0.353 50 20 DBGD O=C(Cc1cnn2ccccc12)NNC(=O)C(=O)NC1CC1 1349468755 CVPADDKTQSGVJN-UHFFFAOYSA-N 301.306 -0.697 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1ccnn1C1CNC1 1576903200 HHNVAWUXMFOSKO-WCBMZHEXSA-N 308.342 -0.395 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2OCC[C@H]2N)cc1C 1579727743 ZWWKNNNBQOCXOT-OCCSQVGLSA-N 307.350 -0.054 50 20 DBGD CON1CCC(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1 1591468914 YYSQXXSUTQGVSL-UHFFFAOYSA-N 318.341 -0.022 50 20 DBGD COCCOCC(=O)NNC(=O)/C=C/c1ccc(C(=O)O)o1 1594017831 GGEXMXNVKKOASX-HWKANZROSA-N 312.278 -0.199 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)NCCSCC(=O)O)O1 1607463998 XWBSDCMIVNFINX-YUMQZZPRSA-N 305.356 -0.298 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1609073714 JXEKBYHRVWCOKD-UHFFFAOYSA-N 317.313 -0.872 50 20 DBGD C[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847449910 GIVGFYQMXFVIOD-FXQIFTODSA-N 321.171 -0.718 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(C#N)cc1 8391366 VQBZWIMLPIECSY-JTQLQIEISA-N 318.333 -0.002 50 20 DBGD O=C(NNC(=O)c1cnn(-c2ccccc2)c1)C(=O)NC1CC1 8403275 FNTMVXXCLIVUMD-UHFFFAOYSA-N 313.317 -0.088 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc(-n2ccnn2)c1 156225971 XBFWJOQNWYBVEA-UHFFFAOYSA-N 303.326 -0.018 50 20 DBGD Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)CN(C)C 175946779 QTCNYLWWJXOWKO-UHFFFAOYSA-N 302.338 -0.102 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1nccnc1Cl 265214815 WCPCRUVOFSFQAH-UHFFFAOYSA-N 305.747 -0.391 50 20 DBGD CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268982065 RPTNKZBPQVNTLY-MRVPVSSYSA-N 310.335 -0.608 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 274835559 NIKYEWXEZFFAHT-UHFFFAOYSA-N 321.337 -0.244 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc(N2CCOCC2)ccn1 277876967 DMJRBEGWXHSYOV-UHFFFAOYSA-N 308.338 -0.550 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccn1 280445214 KIHANRGVISPCSF-QMMMGPOBSA-N 300.340 -0.911 50 20 DBGD CCOc1ccc(NNC(=O)C(=O)NCC(=O)N(C)C)cc1 293749135 PTLPGQHHTOBGAH-UHFFFAOYSA-N 308.338 -0.267 50 20 DBGD Cn1cnn(CCC(=O)NNc2nc3ccccn3n2)c1=O 295012016 VQYIZPCZFKQLHX-UHFFFAOYSA-N 302.298 -0.842 50 20 DBGD O=C(CNC(=O)c1ccc(B(O)O)cc1)NC1CCCCC1 584936153 GJSLDVQWZVXVDM-UHFFFAOYSA-N 304.155 -0.455 50 20 DBGD CN(C(=O)CNC(=O)c1cccc(B(O)O)c1)C1CCCCC1 584957342 FONRAPZXJJHVCG-UHFFFAOYSA-N 318.182 -0.113 50 20 DBGD CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C(C)(C)C1=O 584958277 PMOBAIVXCWMKJA-UHFFFAOYSA-N 308.118 -0.802 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(n2ccnn2)CC1 584965693 USYREIONWYVJKR-UHFFFAOYSA-N 318.117 -0.426 50 20 DBGD N#Cc1ccc(S(=O)(=O)NCB(O)O)cc1Br 585059464 ORKVXWCOMHFQIJ-UHFFFAOYSA-N 318.945 -0.389 50 20 DBGD Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](B(O)O)C2)c(O)c1 585067513 XGUDCYQASYTGFF-NSHDSACASA-N 320.154 -0.104 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1cccc(C#N)c1 728870268 ZMYWYMLIEOWRJL-UHFFFAOYSA-N 310.335 -0.741 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)CN1CCCNC1=O 737926472 JKBAXGCZNGCKEL-UHFFFAOYSA-N 320.349 -0.234 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1COCCO1 744650812 NGPOTEIJEKDOTF-SNVBAGLBSA-N 315.370 -0.508 50 20 DBGD Cn1cc(N2CCN(CC(=O)NNC(=O)C3CC3)CC2)cn1 746666894 CQUQLPCRWALQCO-UHFFFAOYSA-N 306.370 -0.901 50 20 DBGD COc1cccc(C)c1NC(=O)C(=O)NNC(=O)CN(C)C 773544272 ZXBRFVFOSFUYGT-UHFFFAOYSA-N 308.338 -0.349 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)C(=O)[C@@H]2C)cc1 778262212 ZOIIBAKBVSDTOQ-LBPRGKRZSA-N 318.377 -0.081 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)c2ccc(Cl)nc2)c1=O 815038930 CWMYGSDORALWNE-UHFFFAOYSA-N 324.728 -0.519 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)N2CCO[C@H](C(=O)O)C2)cc1 819095758 KPKDZDMKASBSFT-NSHDSACASA-N 318.289 -0.302 50 20 DBGD N#CSCCCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 854360681 WNFLZNDESDYAGQ-SECBINFHSA-N 306.413 -0.378 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)N1 858700375 KJAKBEPTCFAIHE-PREPNJAASA-N 306.366 -0.016 50 20 DBGD CCC[C@@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863871149 BDGXHUNEGKMCSN-CQSZACIVSA-N 311.118 -0.033 50 20 DBGD CCCCNC(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O 920765028 LMBNMQQKRFXCQD-UHFFFAOYSA-N 313.358 -0.209 50 20 DBGD CCOCCOCCNC(=O)NNC(=O)[C@@H]1CCCCO1 927535558 BZJUIOXCJXSCRM-NSHDSACASA-N 303.359 -0.061 50 20 DBGD Cn1ccnc(NNC(=O)COc2ccc(C(N)=O)cc2)c1=O 1252519361 WKCYFGKZIOVRBG-UHFFFAOYSA-N 317.305 -0.599 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNc1nc2ccccn2n1 1263795916 HWMIJWXZCBXDSG-WDEREUQCSA-N 301.354 -0.439 50 20 DBGD Cn1ncc(C(=O)NNC(=O)C(=O)NC2CC2)c1C(F)(F)F 1317886694 NBRYQAQNJIGHNE-UHFFFAOYSA-N 319.243 -0.522 50 20 DBGD Cc1nccn1C[C@H](C)CNC(=O)NNC(=O)C(=O)NC1CC1 1318372995 KNIRRJJZQJWBMH-SECBINFHSA-N 322.369 -0.563 50 20 DBGD CC(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 1324401639 QZHODJNARIBMEI-UHFFFAOYSA-N 320.353 -0.927 50 20 DBGD COc1cccnc1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331316359 VPADGCIOBGDEPF-QMMMGPOBSA-N 307.310 -0.801 50 20 DBGD Cc1nn(C)c(Cl)c1C(=O)NNC(=O)CN1CCCC1=O 1332195914 LESVTNRYQFLFGT-UHFFFAOYSA-N 313.745 -0.235 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCOC1CCOCC1 1340110806 XQSHHNOUOHCJJK-UHFFFAOYSA-N 301.343 -0.756 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC)c(F)c1 1343341118 PRMVLJXXCHYYEZ-UHFFFAOYSA-N 313.241 -0.907 50 20 DBGD Cc1cc(=NNC(=O)Cc2noc(C)c2-c2nn[nH]n2)cc[nH]1 1592054248 ZPONLAXOZUBRDF-UHFFFAOYSA-N 314.309 -0.026 50 20 DBGD O=C(NNC(=O)[C@H](O)C1CC1)c1cccc(-c2nn[nH]n2)c1 1593154677 BHENEUTVLOTUPS-SNVBAGLBSA-N 302.294 -0.601 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCO[C@H](c2ccncc2)C1 1608476984 DIQGJIDERUVJSZ-UWVGGRQHSA-N 308.294 -0.283 50 20 DBGD O=C(CN1CCN(CCO)CC1)NNC(=O)c1cccs1 48694360 WMZMUPSJXAQPIX-UHFFFAOYSA-N 312.395 -0.881 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCCCN1CCOCC1 267212748 UGTZJUZABYKYEF-UHFFFAOYSA-N 321.381 -0.323 50 20 DBGD CC(C)(C(=O)NNc1ncnc2nc[nH]c12)N1CCOCC1 288055715 PDMNANMKYSAIMC-UHFFFAOYSA-N 305.342 -0.093 50 20 DBGD CCOC(=O)Cn1cccc(NC(=O)NNC(=O)OC)c1=O 493962689 DWVYAXAXIOYEIH-UHFFFAOYSA-N 312.282 -0.196 50 20 DBGD CN1CCC[C@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@@H]21 584962439 FZTBDQOXGMNSEO-ZFWWWQNUSA-N 302.183 -0.077 50 20 DBGD O=C(NCCO[C@H]1CCCCO1)c1cc(B(O)O)ccc1F 584990852 MKLAENGTMPPPLW-ZDUSSCGKSA-N 311.118 -0.222 50 20 DBGD CN1C[C@@H](N(C)C(=O)c2cc(B(O)O)ccc2F)CCC1=O 584993111 SWLJQJJEWBOPEQ-JTQLQIEISA-N 308.118 -0.802 50 20 DBGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCB(O)O 585055558 DZYSNXDCGZRPFP-LLVKDONJSA-N 307.094 -0.967 50 20 DBGD O=C(NNC(=O)c1cnc2n(c1=O)CCS2)c1ccncc1 727861089 VRZCQTOEVDHQHN-UHFFFAOYSA-N 317.330 -0.181 50 20 DBGD COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cnn[nH]1 729455932 HPXZFOXUWRCAED-UHFFFAOYSA-N 306.238 -0.204 50 20 DBGD Cc1cc(C)nc(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)n1 730521202 SXVGYYMWYONDRY-UHFFFAOYSA-N 314.309 -0.379 50 20 DBGD CN1C(=O)C(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 730576265 NOLAYSYQACEPPU-SECBINFHSA-N 321.358 -0.082 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 732046071 RYJXYLOFDZEEFF-UHFFFAOYSA-N 305.316 -0.983 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C[C@H]2CCCO2)CC1 738299211 MRGUFMUTNLRHAO-CHWSQXEVSA-N 312.414 -0.271 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)NCC(F)(F)F 744470919 ISJBUMUTVJZAFE-UHFFFAOYSA-N 324.219 -0.008 50 20 DBGD O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)N1CCCC1 748246451 KVMHEOUCGFIDFF-UHFFFAOYSA-N 320.305 -0.093 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccncc1Cl 758047851 OJYYWNAGWHAZIP-LURJTMIESA-N 320.758 -0.566 50 20 DBGD C#CCNC(=S)NNC(=O)Cn1nnc(-c2ccccc2)n1 758173989 ZAGDFOVJKXYAJD-UHFFFAOYSA-N 315.362 -0.531 50 20 DBGD O=C(CO)NNC(=O)Cn1c(S)nnc1-c1cccs1 777781499 VZWREZXORIDHLH-UHFFFAOYSA-N 313.364 -0.565 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCc2nnnn2C)cc(C#N)n1C 779571207 XSKMLHKXTWILDX-WCIBSUBMSA-N 310.321 -0.048 50 20 DBGD CCOC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCCC1 790161899 IBLHBGRNWZGIMI-SNVBAGLBSA-N 318.395 -0.082 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)COCc1ccnn1C 792489218 NZZFXBVSYVUWIN-SECBINFHSA-N 312.326 -0.574 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1nc2ccccc2n1C 848379141 CGCVYGVANJSENC-QMMMGPOBSA-N 311.367 -0.046 50 20 DBGD CCN1C[C@H](C)N(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H]1C 858695039 DJOVGTFLPAMUPH-GARJFASQSA-N 311.386 -0.580 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC2 861806141 WQQXWKOSXFAPSZ-UHFFFAOYSA-N 307.306 -0.256 50 20 DBGD Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 861945885 DXVQTVHGABFPQO-SNVBAGLBSA-N 318.333 -0.332 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2cc(F)ccc2F)N1 863413007 ADHQSUQJGZPSAS-QMMMGPOBSA-N 319.289 -0.447 50 20 DBGD CSc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccn1 863460378 UXBLWOKTFCWSAH-UHFFFAOYSA-N 303.365 -0.391 50 20 DBGD C[C@]1(C(=O)NC[C@H]2CC(C(N)=O)=NO2)C[C@@H]1Br 907606226 HOKUCNDKAFMCMO-GRQVRMODSA-N 304.144 -0.094 50 20 DBGD O=C(CCN1CCOCC1)NNC(=O)COc1ccccc1O 912852086 LXPZFZUWIQCLOZ-UHFFFAOYSA-N 323.349 -0.359 50 20 DBGD COCCCNC(=O)NNC(=O)CSc1cccc[n+]1[O-] 1115899523 INJSWHJRAWVABP-UHFFFAOYSA-N 314.367 -0.221 50 20 DBGD CC(C)(C(=O)NNc1ccc(-n2ccnc2)nn1)S(C)(=O)=O 1117323767 LXOYOGPNJJMIGT-UHFFFAOYSA-N 324.366 -0.071 50 20 DBGD COCCCOCCC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1261662691 UOXTVYAUTOUGJT-JTQLQIEISA-N 322.383 -0.988 50 20 DBGD O=C(CN1C(=O)CNC1=O)NNc1ncnc2ccsc12 1319302742 ILCULGQBHNUBKO-UHFFFAOYSA-N 306.307 -0.314 50 20 DBGD COc1cccc(C(=O)NNC(=O)CO[C@H]2CCOC2)c1O 1319359983 IJTCTPXPRLOVRQ-VIFPVBQESA-N 310.306 -0.033 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccnn2C)n1 1320234922 MWFBGBIHQCXHPI-UHFFFAOYSA-N 319.325 -0.980 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 1320510183 JDHXYUSCJAALAE-UHFFFAOYSA-N 304.306 -0.081 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1n[nH]c2c1CCC2 1321816569 MYLBBFFFHZBHQD-SSDOTTSWSA-N 312.351 -0.906 50 20 DBGD CC1CCN(C(=O)C(=O)NNc2ccc(C(N)=O)nn2)CC1 1325269319 VJDVANFGWZLNLT-UHFFFAOYSA-N 306.326 -0.723 50 20 DBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1325519040 BVCCWFRIVSUPPK-UHFFFAOYSA-N 309.322 -0.058 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CCC(=O)[C@@H]1C 1326880203 XGGPAHNAZYZGBS-HRDYMLBCSA-N 319.383 -0.923 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)NC1(C(N)=O)CCOCC1 1327897788 NNTWFKRSSPFVKM-JTQLQIEISA-N 314.386 -0.808 50 20 DBGD COc1ccc(NNC(=O)c2cnn(C[C@@H](O)CO)c2)nc1 1329264848 ZPUKPIDYOBBQLP-SNVBAGLBSA-N 307.310 -0.603 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1339526851 WEIYCQVIEYHDPL-NTSWFWBYSA-N 302.274 -0.233 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1346442636 BGRWUWQAWUASGU-JGVFFNPUSA-N 305.338 -0.439 50 20 DBGD C[C@@H]1[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@H]2CC[C@H]1N2 1576580185 UREQNNBNYOFTEU-UNQZSWDGSA-N 309.370 -0.876 50 20 DBGD CO[C@@H](C(=O)NNC(=O)NC1CCNCC1)[C@H]1CCOC1 1578890758 ANCNPAKGGDIFEG-GXSJLCMTSA-N 300.359 -0.880 50 20 DBGD COC[C@@]1(C(=O)NCCSS(C)(=O)=O)CCCCN1 1578973851 ANEYWAMSSVMDLA-LLVKDONJSA-N 310.441 -0.046 50 20 DBGD CO[C@@H]1CNC[C@H]1NC(=O)NNC(=O)CCOc1ccccc1 1579120940 OPKNTOGMJJWZNM-CHWSQXEVSA-N 322.365 -0.227 50 20 DBGD Cc1cc(F)cc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 1600231542 CCPACWBTPLTSDM-UHFFFAOYSA-N 305.287 -0.289 50 20 DBGD CC(C)OCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1603929663 XIUSEGCDAZYYII-UHFFFAOYSA-N 323.305 -0.218 50 20 DBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)c1ncon1 1606602087 ZIEIVTVCNHYAJQ-UHFFFAOYSA-N 314.265 -0.747 50 20 DBGD O=C(NNC(=O)C(=O)O)NC1CCN(C[C@H]2CCCO2)CC1 1610699402 XSKDWGLBBPXBMR-SNVBAGLBSA-N 314.342 -0.955 50 20 DBGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1846175058 CYUMCUXAEUQJLK-ZETCQYMHSA-N 321.171 -0.716 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2ccccc2)C(=O)C1=O 45859673 ZHOYSYPAKWQOHM-UHFFFAOYSA-N 318.333 -0.862 50 20 DBGD CCOC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 48859401 TULPMDJIZMLQPC-VIFPVBQESA-N 307.372 -0.175 50 20 DBGD CC(C)(C)C(=O)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 112976677 IKRUBEOVNRQGQE-UHFFFAOYSA-N 310.398 -0.266 50 20 DBGD Cc1cc(C(=O)NCC(=O)NN(C)C(N)=O)ccc1[N+](=O)[O-] 273018172 CBQSSRXSSNTUQH-UHFFFAOYSA-N 309.282 -0.325 50 20 DBGD COc1ccc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 275550395 VCTCJYZFENZABR-MRVPVSSYSA-N 300.340 -0.097 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)O1 293824357 FPBGBTUJSDPTGU-WPRPVWTQSA-N 311.298 -0.104 50 20 DBGD O=S1(=O)CCc2cc(CNCc3ccc(B(O)O)o3)ccc21 585027959 BXLGVXOUVFIFML-UHFFFAOYSA-N 321.163 -0.421 50 20 DBGD NC(=O)[C@@H](CNCc1ccc(B(O)O)o1)Cc1ccc(F)cc1 585033004 UGHWEUHFFZFWNN-LLVKDONJSA-N 320.129 -0.468 50 20 DBGD O=C(Cn1cc(NCc2ccc(B(O)O)cc2)cn1)NC1CC1 585033486 HAAKHXFXOVKXMF-UHFFFAOYSA-N 314.154 -0.546 50 20 DBGD CC(C)C(=O)NCCNC(=O)NNC(=O)Cc1cccnc1 728944040 JGGGQJXIFAJGEJ-UHFFFAOYSA-N 307.354 -0.273 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cccc(OCC(N)=O)c1 731280446 XGSZSVCPEVDGGZ-UHFFFAOYSA-N 310.310 -0.260 50 20 DBGD Cn1c(N)c(C=NNC(=O)NC2CCCCC2)c(=O)n(C)c1=O 749811946 IEAVYTUHXJYUFY-UHFFFAOYSA-N 322.369 -0.368 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)o1 752779722 PGXCRTVUZWJODQ-UHFFFAOYSA-N 315.351 -0.921 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)Cc1cc[nH]n1 755284543 CNWKTICGDRYEDO-UHFFFAOYSA-N 306.282 -0.779 50 20 DBGD COCCS(=O)(=O)CC(=O)NN=c1cc[nH]cc1Cl 757419350 RZFBONVHLNAOFE-UHFFFAOYSA-N 307.759 -0.339 50 20 DBGD Cn1ncc(C(=O)NNC(=O)COc2ccc(F)cc2)c1N 759375179 BWNMSYLMVIUKJK-UHFFFAOYSA-N 307.285 -0.019 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CN(C)C)cnn1CC(C)C 764203408 HTRQVCRAOYPHAW-UHFFFAOYSA-N 324.385 -0.505 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C(C)(C)C(N)=O 767415947 UGTARTATSZTZMP-UHFFFAOYSA-N 309.322 -0.267 50 20 DBGD CC(C)(C(N)=O)C(=O)NNC(=O)CNC(=O)c1cccs1 767811574 ZJEZMBBXZTTZLP-UHFFFAOYSA-N 312.351 -0.863 50 20 DBGD Cn1ncc(C(=O)NNC(=O)C(C)(C)O)c1Br 768260182 UEEUPIPATCVLQO-UHFFFAOYSA-N 305.132 -0.286 50 20 DBGD CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1(C)C 776066258 HUQSJIAALCLIHM-UJNFCWOMSA-N 312.370 -0.345 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCC1(C)C 776140172 VNWTVJDPKCQAQK-DTWKUNHWSA-N 305.400 -0.102 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CCNC(=O)C2)nc1C 778422685 RCQXHKBSXRYDOA-SECBINFHSA-N 321.337 -0.069 50 20 DBGD COCC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 785949407 LBDVEKDKDHONQY-SECBINFHSA-N 319.383 -0.679 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cc([C@@H]2CCCO2)nn1C 788725054 LZWVRPNZSUXBRC-JTQLQIEISA-N 310.358 -0.014 50 20 DBGD CC(C)n1cnc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 798846957 UCSGYZKWCCHRJB-SECBINFHSA-N 314.367 -0.340 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC(=O)c3cccn32)CC1 807381346 OOFWMPBDNTUULC-GFCCVEGCSA-N 319.365 -0.006 50 20 DBGD O=C(Cn1cncn1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 826425730 QRBISQNJZFWSJJ-UHFFFAOYSA-N 320.704 -0.350 50 20 DBGD O=C(NNS(=O)(=O)N1CCCOCC1)[C@@H]1CCCCO1 844662453 DSIUCJJOBVIBDQ-JTQLQIEISA-N 307.372 -0.857 50 20 DBGD O=C(CNC(=O)NNC(=O)c1cn[nH]c1)NC1CCCCC1 858704163 MOBKRXBJDQBAAR-UHFFFAOYSA-N 308.342 -0.197 50 20 DBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCC2)C1 859327844 CNDLTXMZRHSYOA-JTQLQIEISA-N 303.384 -0.395 50 20 DBGD C[C@H](NNC(=O)c1ccc(S(N)(=O)=O)nc1)C(F)(F)F 862316270 NLQNCTYKJXYNII-YFKPBYRVSA-N 312.273 -0.086 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccnc2N2CCCC2)N1 862450271 PTGWLLRHKSSLRU-NSHDSACASA-N 317.349 -0.279 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c2c(C)noc2n1 862450674 YRRWQTCHNXNNLE-SECBINFHSA-N 317.305 -0.121 50 20 DBGD COc1cc2c(cc1F)C(=NNC(=O)[C@@H]1CCC(=O)N1)C(=O)N2 863150035 LHLHVXXCCWEBCX-QMMMGPOBSA-N 320.280 -0.115 50 20 DBGD CCOC(=O)CN(C(=O)c1cc(B(O)O)ccc1F)C(C)C 863879988 KDSLXMWJYGVLCY-UHFFFAOYSA-N 311.118 -0.081 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)CN2CCCNC2=O)c1 915259967 QOLYZUUYEBKEHH-UHFFFAOYSA-N 319.365 -0.071 50 20 DBGD CCOCCO[C@@H](C)C(=O)NNC(=O)CN1CCCC1=O 920432636 DXDKGZAQSVSOBS-JTQLQIEISA-N 301.343 -0.802 50 20 DBGD CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c1ccccc1 920592542 LUDAFBYSJNFTPT-UHFFFAOYSA-N 314.319 -0.965 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(O)nn1 1116187354 NWOPYKJXFADUNH-UHFFFAOYSA-N 312.289 -0.166 50 20 DBGD O=C(Cc1ccoc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1116640543 BPWJKIGCUJVVJY-VIFPVBQESA-N 301.324 -0.660 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3c(cn2)OCCC3)N1 1261841702 AGNAZJHPXNBZDK-VIFPVBQESA-N 304.306 -0.554 50 20 DBGD CON=CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1323932413 XSBBHMVXHQWABM-UHFFFAOYSA-N 313.339 -0.627 50 20 DBGD CN(CC(=O)NNc1ncc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1326380072 JPORUHMXANSZSK-SECBINFHSA-N 317.346 -0.822 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)CC(C)(C)C)ccc1=O 1337974686 NRIUHNIHDPPWCN-UHFFFAOYSA-N 308.338 -0.093 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNc1ncncc1F 1347727665 GIIAPFIMWGMITL-UHFFFAOYSA-N 312.305 -0.909 50 20 DBGD CCC(=O)NC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1347745113 JIECXCZPCXZSJN-UHFFFAOYSA-N 322.145 -0.364 50 20 DBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](O)CN)cc1 1578184237 APJXEFXYVVVFDH-SKDRFNHKSA-N 311.338 -0.680 50 20 DBGD Cc1cnn([C@H]2CCCNC2)c1C(=O)NNC(=O)CN(C)C 1579827467 GYLUMGJORQFLGU-NSHDSACASA-N 308.386 -0.561 50 20 DBGD Nc1c(C(=O)NNC(=O)[C@@H]2CCN2)cnn1Cc1ccccc1 1580431876 XWUMKVPQIFQGDI-LBPRGKRZSA-N 314.349 -0.364 50 20 DBGD CC(C)(CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)O 1590679470 MIDYFKONUSPMRQ-ZETCQYMHSA-N 300.315 -0.904 50 20 DBGD CN1C[C@@H](O)C[C@@]1(C)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591171600 LISXLXVPCOCLQP-ZANVPECISA-N 318.341 -0.840 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC2CCC(C(=O)O)CC2)nn1 1594530281 JVAPNBPIIVMEHM-UHFFFAOYSA-N 310.314 -0.598 50 20 DBGD C#CCOCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1602729619 YTDNTPNNMDZXNM-UHFFFAOYSA-N 302.298 -0.462 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNC(=O)c2ccc[nH]2)C1=O 1606253187 LPLYBHFSJFMTEU-QMMMGPOBSA-N 308.294 -0.901 50 20 DBGD O=C(C1CC(O)C1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847510267 QYGMOCHXKVBPST-VJROTNAKSA-N 316.785 -0.441 50 20 DBGD O=C(Cc1ccc(-n2cnnn2)cc1)NNC(=O)c1ccc[nH]1 120820750 PYPAOOUELJIDPB-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD COc1ccnc(NNC(=O)NCCCN2C(=O)CNC2=O)n1 264516565 GVDXBZPUFMDXRQ-UHFFFAOYSA-N 323.313 -0.947 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)CN(C)C(=O)COC)n1 270397456 JFMFMMYDQXOZIM-UHFFFAOYSA-N 324.385 -0.129 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)CNc1ccc(OC)cc1 270595860 WWAMORWPZDORMK-VIFPVBQESA-N 324.337 -0.001 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C=CCCC1 275189649 JPDUDCTXZIAFNR-UWVGGRQHSA-N 303.384 -0.182 50 20 DBGD COCCN(C)NC(=O)c1ccc(OCC(N)=O)c(OC)c1 288473016 RDBTUYYVWXCTEB-UHFFFAOYSA-N 311.338 -0.218 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 299245489 WPTXBAAHTNLPPD-SNVBAGLBSA-N 321.333 -0.300 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)Cc1cn2ccccc2n1 493138819 NAYBZCIYBDISPT-UHFFFAOYSA-N 319.321 -0.230 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)COc1ccccc1O 496903215 QFBPQALMGLCJSF-RDDDGLTNSA-N 309.278 -0.585 50 20 DBGD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc(B(O)O)c1 584972478 XZSDNSXLGRJJEZ-SNVBAGLBSA-N 302.139 -0.893 50 20 DBGD OB(O)c1ccccc1CNC[C@H]1CN2CCCC[C@@H]2CO1 585032651 XVGMQWFXRBPWQN-CABCVRRESA-N 304.199 -0.291 50 20 DBGD NC(=O)[C@@H]1CC[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)O1 585052290 XVBTXILUEWHKIQ-VHSXEESVSA-N 303.083 -0.878 50 20 DBGD O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@@H](B(O)O)C1 585074565 BCASHDSLSCPNKF-CHWSQXEVSA-N 323.202 -0.011 50 20 DBGD O=C(Cn1c(=O)nc(O)c2ccccc21)N1CC[C@@H](B(O)O)C1 585078960 QIVWEYFEXFXICQ-SECBINFHSA-N 317.110 -0.823 50 20 DBGD O=C(NCCn1cncn1)NNc1cccc(-c2nn[nH]n2)c1 738094149 CEYYJPKXPTWIQY-UHFFFAOYSA-N 314.313 -0.216 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNc1ncnc2[nH]cnc12 743472699 BRBLKSMOHNGHRS-UHFFFAOYSA-N 319.325 -0.565 50 20 DBGD CCCCCS(=O)(=O)CC(=O)NNC(=O)Cc1cc[nH]n1 755284887 GKTBLXHCYPRCCK-UHFFFAOYSA-N 316.383 -0.295 50 20 DBGD CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1nccn1C 755698128 IQDVYVXOJRNDDL-MRVPVSSYSA-N 301.372 -0.412 50 20 DBGD O=C(CO)NNC(=O)Nc1cccc(CN2CCOC2=O)c1 755829649 YVHWRUVEJKSXKZ-UHFFFAOYSA-N 308.294 -0.216 50 20 DBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)O1 758031185 VGFBSHARUZCIAP-IWSPIJDZSA-N 307.372 -0.971 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)CC(F)(F)F 760122474 BTYMDGAYDPFVOA-UHFFFAOYSA-N 307.228 -0.038 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)c1 760272124 FKNJNWQOPREDKX-SECBINFHSA-N 321.333 -0.009 50 20 DBGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(C)=O 763517036 QQHHYJQDUAJICY-UHFFFAOYSA-N 315.232 -0.143 50 20 DBGD CC(C)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 778528820 QSFAUNHTWUMGEY-UHFFFAOYSA-N 316.383 -0.308 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cn(C)c(C)n1 800811040 FJQSDSBCPFWUDA-SNVBAGLBSA-N 313.383 -0.061 50 20 DBGD CN(C)CC1(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1 823013832 HIQXSZXBEWKEFG-LLVKDONJSA-N 303.428 -0.180 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1 826445088 GNYJWSQKSMSYHK-SNVBAGLBSA-N 302.294 -0.193 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N[C@]1(C(=O)O)CCOC1 833473879 PZGLNTHXOPZCAW-TVQRCGJNSA-N 301.343 -0.598 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1CN 841952344 BOYBLRBYZMPJET-IJLUTSLNSA-N 316.402 -0.114 50 20 DBGD CC(=O)NNC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 854155647 SIXUWNAEXOJTRX-UHFFFAOYSA-N 312.330 -0.416 50 20 DBGD CNC(=O)C1(C(=O)NN(C)C(=S)NCCCOC)CCC1 854281023 NDRPRGAUKWFWEX-UHFFFAOYSA-N 316.427 -0.223 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@]1(C)CC=CCC1 857116833 QKPCTEFSCUXRCN-CABZTGNLSA-N 303.384 -0.182 50 20 DBGD CC1(C)[C@]2(C(=O)NNC(=O)[C@H]3CCC(=O)N3)CC[C@@]1(C)C(=O)O2 862463776 LQRJMPYGHSVLCP-UKXDHYTESA-N 323.349 -0.466 50 20 DBGD CN(NC(=O)c1nn(C)cc1I)C(N)=O 879353787 NCHKZQRZDNWJII-UHFFFAOYSA-N 323.094 -0.320 50 20 DBGD CC(C)N1CCC[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 929454747 VUWXJSKWBDNMQK-WDEREUQCSA-N 317.411 -0.559 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccncc1Cl 1116158013 PMZXMKQPAWXPFX-SSDOTTSWSA-N 317.754 -0.069 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCc2cc(O)ccc2C1 1116826045 WBPJMHCUOXHOAH-SNVBAGLBSA-N 307.306 -0.247 50 20 DBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(F)c1 1320348803 DIMPLSCUZCCGPD-UHFFFAOYSA-N 308.269 -0.580 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1ncnn1C 1320793819 YTVVPRNJYIZAPM-VIFPVBQESA-N 303.326 -0.156 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 1320867124 RNFMXGCDOMEAHI-ZETCQYMHSA-N 318.330 -0.597 50 20 DBGD O=C(NCCC[C@@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 1321084349 MWRAVYPGZQBNOA-NSHDSACASA-N 312.370 -0.055 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1nccnc1C1CCC1 1323383416 NWTABYYLQTXVMA-UHFFFAOYSA-N 320.353 -0.608 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)CS(C)(=O)=O)CCCC2 1335367921 QGGJIWXUMFHHME-UHFFFAOYSA-N 314.367 -0.896 50 20 DBGD Cc1c(C(=O)NN(C)[C@H](C)CO)nnn1Cc1ccncc1 1336010225 CZYLWCILFSKZGH-SNVBAGLBSA-N 304.354 -0.013 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1nnc2ccccc2c1O 1339238090 LGBJETNZHRJPBH-UHFFFAOYSA-N 317.305 -0.379 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)N1CCc2ccccc21 1339820409 YGOIVNUBQKPRKH-SNVBAGLBSA-N 320.349 -0.059 50 20 DBGD N#CC1CCC(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1348110585 LEKANQBRKZKVHZ-ILDUYXDCSA-N 307.354 -0.075 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cnc(C(=O)O)cn2)n1 1594298150 DOQCGZOTNKOVFD-UHFFFAOYSA-N 318.293 -0.551 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@]2(C(=O)O)CCCO2)c1 1605617569 MWEVGOGBUPWDFE-AWEZNQCLSA-N 303.274 -0.047 50 20 DBGD O=C(CN1CCCC1=O)NN=Cc1nc(-c2nn[nH]n2)cs1 1609526440 WOLWYGAWCBOLGV-UHFFFAOYSA-N 320.338 -0.604 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc(O)c([N+](=O)[O-])c1 273471607 XTCGHVDJRFYDSF-SNVBAGLBSA-N 311.250 -0.523 50 20 DBGD COc1ccccc1C(=O)C(=O)NNC(=O)N1CCOCC1 274169155 HRODSZYALPSQIZ-UHFFFAOYSA-N 307.306 -0.049 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N1CC(=O)N(C2CC2)C1 279622472 TUDWFYDUHWHSLM-UHFFFAOYSA-N 303.322 -0.371 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1ncccn1 280905733 TZKOHKCYMBLHFY-AWEZNQCLSA-N 303.322 -0.159 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 282035349 VPWPBSMTVMZPTC-NGPGYTDTSA-N 301.368 -0.043 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)COCc2ccnn2C)n1 284217255 GFTHIWWAUYDXQI-UHFFFAOYSA-N 320.353 -0.402 50 20 DBGD CN(N=Cc1c(N)n(C)c(=O)n(C)c1=O)C(=O)OC(C)(C)C 492881354 BQHQHOJLDYZINC-UHFFFAOYSA-N 311.342 -0.133 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCn1cncn1 494742682 PZQQQVKDZLYGMT-UHFFFAOYSA-N 312.330 -0.660 50 20 DBGD CC[C@@](NC(=O)c1ccc(B(O)O)c(F)c1)(C(N)=O)C(C)C 584974687 XIQYXZXKKQFUSX-AWEZNQCLSA-N 310.134 -0.475 50 20 DBGD C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc(B(O)O)c1)C[C@@H](C)O2 584981902 CHSRFDOLDZRJNI-BFQNTYOBSA-N 319.166 -0.225 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 584999505 VHOGCXXBMKSMFQ-DUBDDPSESA-N 303.098 -0.469 50 20 DBGD CS(=O)(=O)Cc1cccc(CNCc2ccc(B(O)O)o2)c1 585019682 FIQLXZQMCCJAMR-UHFFFAOYSA-N 323.179 -0.206 50 20 DBGD CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCB(O)O 585062121 DFOBJYGDXMDDIC-GFCCVEGCSA-N 320.154 -0.182 50 20 DBGD COc1cccc(C(=O)NCC(=O)N2CC[C@H](B(O)O)C2)c1 585066480 OXCPMNQCLDMRKP-NSHDSACASA-N 306.127 -0.500 50 20 DBGD Cc1[nH]nc(S(=O)(=O)NNC(=O)C2CCCC2)c1C(=O)O 738828618 HFPQBNVQPAPPGR-UHFFFAOYSA-N 316.339 -0.084 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)c2nc(O)nc(O)c2N)cc1 746184969 KBXKHDYRVGCCID-UHFFFAOYSA-N 314.261 -0.584 50 20 DBGD COCc1ccccc1NC(=O)C(=O)NNC(=O)CN(C)C 764213536 ZDOFOUIUASHUBN-UHFFFAOYSA-N 308.338 -0.520 50 20 DBGD O=C(CO)NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 777781889 QHLQMSMFDITXDQ-UHFFFAOYSA-N 322.321 -0.049 50 20 DBGD C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)NNC(=O)C1CC1 781943072 LKPVHIPSXWSMGC-LLVKDONJSA-N 312.414 -0.679 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)CBr)O1 782472274 NQTKHVIKJIPUPD-PHDIDXHHSA-N 301.162 -0.709 50 20 DBGD COCN1C(=O)CCc2cc(NC(=O)NNC(=O)CO)ccc21 801790632 MNISHJRAMUPNEI-UHFFFAOYSA-N 322.321 -0.285 50 20 DBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)[C@H]1COc2ccccc2O1 816813948 CPWJIJXOBVLGIX-JOYOIKCWSA-N 319.317 -0.358 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)c1cccn1C)S(N)(=O)=O 816824154 PXQMVGABXXEDRX-VIFPVBQESA-N 302.356 -0.757 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NN(C)[C@@H](C)CO 823922171 IMFGMAYTHREZKL-GXSJLCMTSA-N 307.416 -0.563 50 20 DBGD CNC(=O)NNC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C 845274386 FQNOBMOWJIJUJP-SECBINFHSA-N 317.390 -0.208 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCc3nnnn3CC2)n1 845700646 VPTGXLWEDMOBCV-SECBINFHSA-N 318.341 -0.124 50 20 DBGD O=C(NNC(=O)[C@@H]1CCNC1=O)[C@@H]1COc2ccccc2O1 854180617 NUFBTIJVVVEVFJ-KCJUWKMLSA-N 305.290 -0.890 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CN1CCOCC1 854282921 ACYDFRJGLOMJJG-UHFFFAOYSA-N 304.416 -0.807 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1cccc(F)n1)N1CCN(C)CC1 856423803 CZLNBKFTEAYGEF-JTQLQIEISA-N 309.345 -0.382 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858097180 CSEGCMSYGFEYPU-SNVBAGLBSA-N 319.321 -0.751 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)NCC(F)(F)F)c1 861514582 GYKRGPWUSDOBGR-UHFFFAOYSA-N 323.231 -0.438 50 20 DBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCC(=O)N1)NC(=O)C1CCCC1 862451879 AWMRUJXAZKFXCJ-ONGXEEELSA-N 324.381 -0.503 50 20 DBGD COc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862459119 MYOGDQYLVXXRCM-QMMMGPOBSA-N 322.277 -0.357 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)N1 862460228 GLHWWCNEAILUQR-KOLCDFICSA-N 322.277 -0.946 50 20 DBGD Cn1nc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c2ccccc21 862461188 OFJVIWDCNJHINP-JTQLQIEISA-N 315.333 -0.458 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1 862473572 VVCCPEQNXGHNOZ-ZCFIWIBFSA-N 319.243 -0.419 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)CN1CCCCC1 1252437927 DUQOZASKWXPSRR-SNVBAGLBSA-N 300.359 -0.388 50 20 DBGD C[C@H](O)c1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1 1318091239 KRRRLNSEPSAETL-VIFPVBQESA-N 320.349 -0.151 50 20 DBGD Cn1cccc1CNC(=O)NNC(=O)C(=O)Nc1ccccn1 1319099976 YVTYCKLVBZRGSZ-UHFFFAOYSA-N 316.321 -0.111 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)cn(C)c1=O 1320231808 CUSODYSMOHGTMJ-VIFPVBQESA-N 308.338 -0.174 50 20 DBGD C=CCNC(=S)NNC(=O)c1cn(CC2(C)COC2)nn1 1325108299 SBMNCYRPOCBADR-UHFFFAOYSA-N 310.383 -0.391 50 20 DBGD O=C1CNC(=O)c2ccc(C(=O)NNC(=O)NC3CC3)cc2N1 1347622940 SHJRWEKRURKBGZ-UHFFFAOYSA-N 317.305 -0.525 50 20 DBGD C#CCO[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588357914 QHSISPXXUYBXBD-SECBINFHSA-N 314.305 -0.334 50 20 DBGD Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c(C(=O)O)c1 1600476000 TVRPOFOOUSPASQ-VIFPVBQESA-N 313.140 -0.069 50 20 DBGD O=C(CN1CCn2cnnc2C1)NNC(=O)c1cccs1 105878508 FZBZDFOQBDYBPL-UHFFFAOYSA-N 306.351 -0.384 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1 263761247 AVNJQSWULIOLIK-UHFFFAOYSA-N 324.312 -0.773 50 20 DBGD CN(NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)C(N)=O 272144199 DZNGJBFAHJZDJG-NSHDSACASA-N 306.322 -0.544 50 20 DBGD C[C@@H](C(=O)NNc1cc(Cl)nc(N)n1)N1CCN(C)CC1 273528494 RJEHARMIEPOACI-QMMMGPOBSA-N 313.793 -0.209 50 20 DBGD CCNC(=O)N(C)NC(=O)CNC(=O)Cc1ccc(O)cc1 274540702 SIQLYQVNTFKJKS-UHFFFAOYSA-N 308.338 -0.257 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)n1 297582847 COUPKSSOQHOREY-ZETCQYMHSA-N 323.313 -0.950 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCc3nn(C)cc32)CC1 377272074 ZBVLWLHPUUPULB-NSHDSACASA-N 320.397 -0.172 50 20 DBGD COc1ccnc(NNC(=O)NCCN2CCO[C@H](C)C2)n1 726254094 FTTIIKBVBAIWRX-SNVBAGLBSA-N 310.358 -0.168 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1c(=O)n(C)c2ccccc21 727761646 WVHQKAGNGGGNHW-UHFFFAOYSA-N 305.338 -0.951 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCCNC(=O)C1CC1 728947224 RCHQCWXURGJFMI-UHFFFAOYSA-N 305.338 -0.519 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 735431594 FJXRHZHOIDMSLE-UHFFFAOYSA-N 304.339 -0.443 50 20 DBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)c1cnn(C)c1 735581917 SRXXBFDSZZKVAS-JTQLQIEISA-N 310.358 -0.915 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)C(=O)NC(CC)CC 740852012 GWPDUZLIFILDTC-UHFFFAOYSA-N 300.359 -0.645 50 20 DBGD CCN1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C1 741464133 MWDBCLMHOUIGDO-NXEZZACHSA-N 304.416 -0.242 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 746185042 NZLICTVGLWGHOJ-OAHLLOKOSA-N 306.366 -0.074 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(N)=O)cc1 747370275 BOTYSFZCIOUQOE-NSHDSACASA-N 301.306 -0.138 50 20 DBGD O=C(Cn1cc2ccccc2n1)NNC(=O)C(=O)N1CCCC1 748529973 MKNKXTUNNWOHEJ-UHFFFAOYSA-N 315.333 -0.194 50 20 DBGD CC[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCCO1 756739643 KPIYOVNEGUSQAC-GHMZBOCLSA-N 312.370 -0.103 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nc1 758046305 HHHIOZOVUMCLKI-MRVPVSSYSA-N 300.340 -0.911 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(CN(C)C)c1 764317757 QUMLBBNDSBILDS-UHFFFAOYSA-N 322.365 -0.129 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cnc(C#N)c2C#N)c1 766368789 GPRWEFDSZJJMLR-UHFFFAOYSA-N 319.284 -0.041 50 20 DBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1cccc(C#N)c1 773274945 YYVMUKGZODALQL-UHFFFAOYSA-N 303.322 -0.019 50 20 DBGD C[C@@H]1CN(CCNS(=O)(=O)CBr)CCO1 780855852 GVJKIAPTDHUNFE-MRVPVSSYSA-N 301.206 -0.021 50 20 DBGD CNC(=O)[C@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCO1 782098843 OXVIFMIBBPJFNO-GHMZBOCLSA-N 314.386 -0.985 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)COc2ccc(F)cc2)n1 787442987 UWUHELSOFWMYAT-UHFFFAOYSA-N 323.288 -0.741 50 20 DBGD C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)N1CCN(C)CC1 788167114 VETQQJGCOHHWIF-RYUDHWBXSA-N 314.386 -0.441 50 20 DBGD O=C(NN=Cc1ccccc1-c1nn[nH]n1)[C@H]1COCCO1 826444562 LLJZVRAVJYILHJ-LLVKDONJSA-N 302.294 -0.268 50 20 DBGD COc1ccc(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)c([N+](=O)[O-])c1 830493410 XXNNLONTHMBMFY-QMMMGPOBSA-N 323.265 -0.355 50 20 DBGD Cc1c(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cnn1C 842589937 LTTVAZBUWSDAML-RKDXNWHRSA-N 302.356 -0.537 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(-c2cccnc2)nn1 843657599 DEGZAXIXVCRUPC-GXSJLCMTSA-N 316.321 -0.152 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCNC2=O)cc1 854193031 MANDSSLHRKBRIT-NSHDSACASA-N 302.290 -0.779 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c1 857158076 MBUBTMUJKFBFPV-QWRGUYRKSA-N 319.321 -0.688 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NC[C@]1(C)C[C@H]1Br 857402636 PLPUNKHYUATAKD-KCJUWKMLSA-N 320.187 -0.472 50 20 DBGD CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858244958 LTSWULYZVOVAEC-HLFFCZDVSA-N 310.354 -0.591 50 20 DBGD C[S@@](=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 860637085 LCJDJIFHTMETFZ-MLMJSJRWSA-N 324.362 -0.145 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862451136 JCFXFBAWBQIXGG-JTQLQIEISA-N 305.290 -0.487 50 20 DBGD O=C(C[C@H]1COc2ccccc2O1)NNC(=O)[C@H]1CCC(=O)N1 862458567 BODXSUBYWHLBLJ-VHSXEESVSA-N 319.317 -0.358 50 20 DBGD CCOC(=O)C1(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 862459348 RPNUNJVRBIGALB-VIFPVBQESA-N 311.338 -0.464 50 20 DBGD O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1cc(B(O)O)ccc1F 864906568 PJBROXMXPGLZIT-VXGBXAGGSA-N 306.146 -0.138 50 20 DBGD COCCOCC(=O)NNC(=O)c1nn(C)c2c1CCCC2 869905135 JFWUESIJOKKLDR-UHFFFAOYSA-N 310.354 -0.277 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 910167445 LFUMHTZZCYEGFI-CZUORRHYSA-N 307.394 -0.033 50 20 DBGD Cc1noc([C@H](C)NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)n1 1115948487 AAXBWCWSJSHKPO-WRWORJQWSA-N 317.371 -0.180 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ccc(Cl)nn1 1116096512 SWMKSMXRIDTTTR-UHFFFAOYSA-N 320.700 -0.342 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 1116603794 HRYHPBFGPLVSPP-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD N#CCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1322228046 RZNPMVVOONXMDN-UHFFFAOYSA-N 324.366 -0.163 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3nonc3c2)CC1 1326176791 JBLLKJKOBBPMFS-UHFFFAOYSA-N 304.310 -0.175 50 20 DBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326832428 JPFFGPGSSZWNDT-IUCAKERBSA-N 323.353 -0.507 50 20 DBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)Cc1ccncc1 1341182666 IZRHTHSKBFFJJB-JTQLQIEISA-N 307.354 -0.131 50 20 DBGD C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1345781518 VQPHPSFLOBRTOB-RKDXNWHRSA-N 308.342 -0.524 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCCN1C 1346696350 RPKKDWJROOEMBK-VXGBXAGGSA-N 316.402 -0.147 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cc1 1348411710 OGAKZAARBUXTGG-SNVBAGLBSA-N 310.335 -0.937 50 20 DBGD C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)S(C)(=O)=O 1573729052 FNYHIITZFFIAKB-LURJTMIESA-N 311.327 -0.862 50 20 DBGD O=C(NNc1cccnn1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1593166930 RCHXVQAVWKUDOU-NSHDSACASA-N 312.293 -0.167 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1=O 1604870166 NATJOBXRRIPOCP-JTQLQIEISA-N 317.309 -0.833 50 20 DBGD CC(C)(C)N1CC[C@@H]1C(=O)NN=Cc1cn(CC(=O)O)nn1 1776098600 QNVIXZBPPPUTEO-SNVBAGLBSA-N 308.342 -0.314 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1n[nH]c(=O)c2ccccc12 15941196 VWRQLZFFZHVIMZ-JTQLQIEISA-N 302.290 -0.137 50 20 DBGD C[C@@H](CNC(=O)NNc1cccnn1)CN1CCN(C)CC1 74656895 DHDFBKARGWXNLG-LBPRGKRZSA-N 307.402 -0.014 50 20 DBGD CN(C)CC(=O)NNC(=O)CN(C)C(=O)OCc1ccccc1 277739484 IJINROLHDSFTBY-UHFFFAOYSA-N 322.365 -0.036 50 20 DBGD C[C@H](O)CN(CCO)CC(=O)NNC(=O)c1cccs1 313424448 XVBSETJQCUHKDP-VIFPVBQESA-N 301.368 -0.816 50 20 DBGD COCCN1CCC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584944062 YVBBSCLVDOUIDQ-GFCCVEGCSA-N 324.161 -0.654 50 20 DBGD CN(C)c1ncc(CNC(=O)c2cc(B(O)O)ccc2F)n1C 584944395 LFOXQDVNDBUTGI-UHFFFAOYSA-N 320.133 -0.765 50 20 DBGD CCO[C@H]1C[C@](O)(CNC(=O)c2cccc(B(O)O)c2)C1(C)C 584980285 VOIDPJZIJCMALX-BBRMVZONSA-N 321.182 -0.338 50 20 DBGD C[S@@](=O)C1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCC1 584985958 TXIHTNSZBRNQTH-OAQYLSRUSA-N 313.159 -0.464 50 20 DBGD O=C(CNCc1ccc(B(O)O)cc1F)NCC(F)(F)F 585020785 JECUNRZOSDOGPX-UHFFFAOYSA-N 308.040 -0.726 50 20 DBGD NC(=O)COc1ccc(/C=C/C(=O)N2CC[C@H](B(O)O)C2)cc1 585069603 QPVUTVWCUFVABS-UXONFWTHSA-N 318.138 -0.361 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 728436756 IUZXXYXXZAJGMO-MRVPVSSYSA-N 314.323 -0.017 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 729283106 OGPGYLQCCVVPFN-ZWNOBZJWSA-N 305.334 -0.075 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccccc1O 730781407 LSFFSRFUIDNLQJ-VIFPVBQESA-N 309.322 -0.167 50 20 DBGD CN(C)C(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 746014762 RBJFXWJAUCCACI-UHFFFAOYSA-N 306.388 -0.505 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN2CCCC[C@H]12 748461026 NUQCOAQSGGWZQS-NWDGAFQWSA-N 323.397 -0.434 50 20 DBGD Cn1cc(CC(=O)NNC(=O)CNC(=O)c2cccs2)cn1 751212188 PMZKYOPNHOXEOG-UHFFFAOYSA-N 321.362 -0.399 50 20 DBGD COC(=O)[C@]1(F)CCN(CC(=O)NNC(=O)C(C)(C)C)C1 752307755 DORVJJXGLYLSJY-ZDUSSCGKSA-N 303.334 -0.233 50 20 DBGD Cc1ncc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 756373979 YURPZVLPPXVAHQ-MRVPVSSYSA-N 313.339 -0.628 50 20 DBGD CCNC(=O)NNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 765119065 MJAAHKOOKHACAI-VIFPVBQESA-N 316.358 -0.027 50 20 DBGD Cn1cc([C@@H](O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1 773691258 CEJMSJDQRPFCBG-LLVKDONJSA-N 319.277 -0.177 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C[C@H](C)O)[C@@H](C)CO 785537205 OKYYJWQHHMLYGS-SRVKXCTJSA-N 303.403 -0.368 50 20 DBGD CN(C)CC(=O)NN=C1CCCc2nc(O)c(C(N)=O)cc21 789005498 REUQGKCBZPBKCN-UHFFFAOYSA-N 305.338 -0.396 50 20 DBGD Cn1nnnc1SCCC(=O)NNC(=O)N=c1cc[nH]cc1 802032710 WZGWMIBPAMZPAM-UHFFFAOYSA-N 322.354 -0.638 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 816769674 QZTQUDJUZJDIEK-OSTYVCCYSA-N 316.321 -0.935 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825924745 FGTLETJKVUQFAZ-MNOVXSKESA-N 302.375 -0.680 50 20 DBGD CN(C)c1ncccc1C(=O)NNC(=O)CN1CCCC1=O 827831982 SJNJJWJGRZVBCO-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD Cn1nc(C(=O)NNC(=O)CN2CCCC2=O)cc1C(F)F 828344059 MWZSDFNVRGSRPT-UHFFFAOYSA-N 315.280 -0.259 50 20 DBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)C1CCC1 847482847 UPFPDFMIDNBANL-UHFFFAOYSA-N 312.351 -0.401 50 20 DBGD C=CC(=O)NCCC(=O)NNC(=O)C(C)(OCC)OCC 854385624 ATQSQDFBIGROGA-UHFFFAOYSA-N 301.343 -0.385 50 20 DBGD O=C(NNc1ncc(Cl)cn1)N[C@@H]1CCS(=O)(=O)C1 856719930 WZECCAMERQFEIJ-SSDOTTSWSA-N 305.747 -0.057 50 20 DBGD C[C@]1(C(=O)NNC(=O)C(=O)NC2CC2)COc2ccccc2O1 858168706 ZUTKNQFBRZTERJ-OAHLLOKOSA-N 319.317 -0.358 50 20 DBGD O=C(CCn1cnc2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 862450546 WHPTWQDUUWQAEX-NSHDSACASA-N 315.333 -0.148 50 20 DBGD CC(=O)NC1(C(=O)NNC(=O)CS(C)(=O)=O)CCCCC1 863459549 DFJJNDJHVLMINQ-UHFFFAOYSA-N 319.383 -0.983 50 20 DBGD CC(=O)N1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)Oc2ccccc21 864232564 AGNHOGQMOYLAGU-BXUZGUMPSA-N 318.138 -0.124 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)Cn1nc2ccccn2c1=O 899992712 HFOKDSNLRYIUDV-UHFFFAOYSA-N 322.394 -0.210 50 20 DBGD CC[C@H](C)C(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920374575 HAUIBKOGKVIYOA-ZETCQYMHSA-N 306.326 -0.131 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cncc(F)c1 1319101109 YWQQMNZQJHWAAS-ZETCQYMHSA-N 301.299 -0.584 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)c1ccccn1 1319478901 NOPGBRRPKOCRSO-UHFFFAOYSA-N 303.340 -0.691 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc2nc(C)nn2c1 1324598071 BXPIRJLUYITMGH-UHFFFAOYSA-N 319.325 -0.331 50 20 DBGD Cn1c(NNC(=O)c2cn(CC(N)=O)nn2)nc2ccccc21 1326326619 BGBVFDKXFGVTCN-UHFFFAOYSA-N 314.309 -0.593 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NNc2ccc(Cl)cn2)N1 1329756004 TWMYRROGNTZWOK-ZETCQYMHSA-N 312.717 -0.329 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccccc2Cl)C1=O 1331902022 YVDSKZQHPAXBMT-SNVBAGLBSA-N 311.725 -0.042 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cnn(CCO)c1 1346241998 RDWSMGMJOABNGP-UHFFFAOYSA-N 315.399 -0.637 50 20 DBGD O=C(NNc1cccnn1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1593166927 RCHXVQAVWKUDOU-LLVKDONJSA-N 312.293 -0.167 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)[C@@H]2COCCO2)c(C)c1C(=O)O 1599953838 MWKFIZBWHAEGDX-QMMMGPOBSA-N 311.294 -0.494 50 20 DBGD CN1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1=O 1604848984 LNIDXHBURCSDFY-JTQLQIEISA-N 301.310 -0.212 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1sccc1Cl 1608754379 AOTBMZQHLRPFGW-UHFFFAOYSA-N 313.744 -0.021 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccc1[N+](=O)[O-] 9889646 NFIQCRDVXYTOJF-UHFFFAOYSA-N 306.278 -0.057 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)[C@@H]3CCCO3)nc2n1 32259331 XSQAWJCLDXIQAR-VIFPVBQESA-N 304.310 -0.319 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNC(=O)C(=O)NC1CC1)C(C)C 48104490 OFUIEXCSELPXMY-VIFPVBQESA-N 314.342 -0.817 50 20 DBGD NC(=O)NCCC(=O)NNC(=S)NCCc1cccs1 49045929 XQUANZCWWBMGLQ-UHFFFAOYSA-N 315.424 -0.156 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cc(C(N)=O)n(C)c1 49275456 AZVYBJQXPCFSTG-UHFFFAOYSA-N 303.344 -0.974 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CN1CCN(C)CC1 111578306 ZXGQMBQPPQCZEH-UHFFFAOYSA-N 320.393 -0.368 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccco1 275762743 UYBJVKJHKRVZDJ-UHFFFAOYSA-N 303.340 -0.106 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cnccn1 491497909 AGCLBJKZSPSLID-UHFFFAOYSA-N 324.341 -0.055 50 20 DBGD NC(=O)CC[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584940733 ZYHDNVQHXUTFEA-SNVBAGLBSA-N 322.145 -0.377 50 20 DBGD CC(C)n1cnnc1CNC(=O)c1ccc(B(O)O)c(F)c1 584943345 QPKFXBXLCHXLGC-UHFFFAOYSA-N 306.106 -0.392 50 20 DBGD CN(C)C(=O)[C@H](NCc1ccc(B(O)O)o1)c1ccccc1 585020311 RXWLBSHRYSBSGE-CQSZACIVSA-N 302.139 -0.122 50 20 DBGD CS(=O)(=O)C1CCC(NCc2ccccc2B(O)O)CC1 585025066 KYELMMZOYGLDTP-UHFFFAOYSA-N 311.212 -0.188 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@@H](CNCc2ccc(B(O)O)cc2F)O1 585033548 DWFBSQNSQJEGEF-GXTWGEPZSA-N 324.161 -0.769 50 20 DBGD COc1ccc(C)cc1N1C[C@@H](C(=O)NCB(O)O)CC1=O 585057816 LFJUFKSZYYQDAY-JTQLQIEISA-N 306.127 -0.515 50 20 DBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)C2CCC2)C1 732243238 VZDBUGSIYZPKQQ-JTQLQIEISA-N 318.399 -0.459 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1CCOCC1 748626562 XMSWBAZLMBJFCT-JTQLQIEISA-N 303.359 -0.205 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@]1(C)CCOC1 748635942 UHRYJORGZHTYPR-ZWNOBZJWSA-N 303.359 -0.205 50 20 DBGD CSCCNC(=S)NNC(=O)C1(C(=O)NC2CC2)CC1 770248051 PVQFRQYGFYWHBX-UHFFFAOYSA-N 316.452 -0.097 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)C(C)(C)C 771904035 NZFNWIILIKUURI-MRVPVSSYSA-N 301.343 -0.362 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc2c(c1)NC(=O)CO2 775463287 FBHFPMXCUZNULM-UHFFFAOYSA-N 307.310 -0.268 50 20 DBGD COc1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cn1 780214018 WQGQIPJYNLSCQB-SNVBAGLBSA-N 312.351 -0.090 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1 786063137 HQOBXBFOIBPQJT-LDYMZIIASA-N 321.289 -0.512 50 20 DBGD Cc1cccc(C(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)n1 794567821 XUXHWOYHLCQUTQ-UHFFFAOYSA-N 301.306 -0.449 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)N=c1cc[nH]cc1 802031737 IGLVSMHTZCLWLC-UHFFFAOYSA-N 322.369 -0.887 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CN(CC)CCO1 805475831 CQZRIAATHHEMSL-UWVGGRQHSA-N 301.343 -0.804 50 20 DBGD CCOC1CC(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 806325394 FHWVLVFEKGZXKO-XNWIYYODSA-N 304.368 -0.616 50 20 DBGD COc1cc(Cl)c(NC(=O)C(=O)NNC(=O)CO)cc1C 808935308 RNFXUWPBEUIDHL-UHFFFAOYSA-N 315.713 -0.265 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 816769675 QZTQUDJUZJDIEK-RJVLYZLMSA-N 316.321 -0.935 50 20 DBGD CC(C)n1cncc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 819807225 CAEIJBYYNHOQML-SECBINFHSA-N 301.372 -0.148 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)C1=NN2CCCN=C2N1 825090123 OIMKZVJLHNZXAB-UHFFFAOYSA-N 314.349 -0.255 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)[C@H]1CCCCO1 836322510 VPCCDHNUINQFNR-GFCCVEGCSA-N 316.402 -0.146 50 20 DBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@]1(O)CCOC1 840328238 ZOZXWJNOYMPHNY-HNNXBMFYSA-N 303.318 -0.060 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 841395333 ILDPRVSDMLXTQU-GMSGAONNSA-N 317.305 -0.127 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 843971230 PZPMIBSSKOBYIT-SVRRBLITSA-N 310.266 -0.119 50 20 DBGD C[C@H](CNC(=O)NNC(=O)CNC(=O)c1ccco1)C(=O)O 848586219 SWJSMIOUZDOLNO-SSDOTTSWSA-N 312.282 -0.940 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(N)=O)c1O 857012833 VSGPNUXQGSAVEN-SFYZADRCSA-N 307.306 -0.327 50 20 DBGD CCC(O)(CC)CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858384134 GCULATPSRLDIBW-SECBINFHSA-N 300.359 -0.463 50 20 DBGD CN(C)Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862455267 NPPHQIDGRLCPMS-LBPRGKRZSA-N 304.350 -0.212 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCN(CC(F)(F)F)C2)N1 862459417 TUSQOAIBSGQXIG-SFYZADRCSA-N 322.287 -0.703 50 20 DBGD CCOc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1 863459412 BNMPTRQSAZEQAW-UHFFFAOYSA-N 300.336 -0.109 50 20 DBGD CCOC(=O)N1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 863870800 MXZWILNKUFCUGF-UHFFFAOYSA-N 320.154 -0.283 50 20 DBGD C[C@H](O)CN(CC(F)F)C(=O)c1cc(B(O)O)ccc1F 863885929 QTNAXBVZROBRQO-ZETCQYMHSA-N 305.061 -0.406 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H](C)N(C)CC(F)(F)F 869906538 NNSQOEIGUZGJKC-MRVPVSSYSA-N 315.292 -0.321 50 20 DBGD Cc1nc[nH]c1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 895510267 BQHMUFYTGSQJNQ-NXEZZACHSA-N 309.370 -0.022 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NN(C)C[C@@H](C)O)cc1 910182449 IKGDBQDPCBDIKM-LLVKDONJSA-N 315.395 -0.383 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc2c[nH]nc12 918209119 JPAMGUKZNMKGIE-VIFPVBQESA-N 322.346 -0.241 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccnc(O)c1 1116272199 WAJWMJUUMREHPR-UHFFFAOYSA-N 304.262 -0.429 50 20 DBGD CCOc1cc(C(=O)NNC(=O)C(=O)NC(CC)CC)[nH]n1 1118688570 IBIVOXCAPXYRKS-UHFFFAOYSA-N 311.342 -0.126 50 20 DBGD CC(C)NC(=S)NNC(=O)CC(=O)NCC(F)(F)F 1254352145 KHGFVTBZMLMPMK-UHFFFAOYSA-N 300.306 -0.041 50 20 DBGD Cn1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)c(=O)n(C)c1=O 1324491459 KTPKZLYZQLIPEU-BJMVGYQFSA-N 310.335 -0.970 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1326761790 KVPRIIWNDQNCNM-MRVPVSSYSA-N 300.340 -0.696 50 20 DBGD Cc1nn(C)c2cc(NC(=O)C(=O)NNC(=O)CCO)ccc12 1327635527 UKRFAISWPGSGMG-UHFFFAOYSA-N 319.321 -0.650 50 20 DBGD CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1331691896 QUNJYETYJQCFRJ-ZJUUUORDSA-N 310.354 -0.939 50 20 DBGD O=C1N[C@H](C(F)(F)F)CC[C@@H]1C(=O)N1CC[C@H](B(O)O)C1 1335432966 PDEJPYWTNFRJOG-FXQIFTODSA-N 308.065 -0.481 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1 1337652607 WYSPJEXDWGSZJZ-OLZOCXBDSA-N 308.382 -0.017 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1c(F)cc(F)cc1F 1337694366 JYGRLLBTYNDCEH-UHFFFAOYSA-N 318.255 -0.249 50 20 DBGD CC(F)(F)CCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1337770754 JDTPNBHSQKPMOE-SSDOTTSWSA-N 313.326 -0.061 50 20 DBGD NC(=O)NC1(C(=O)NNc2ccc(-n3ccnc3)nn2)CC1 1341915832 SENZKCDHZLVBKO-UHFFFAOYSA-N 302.298 -0.694 50 20 DBGD NCc1ccc(CNC(=O)NNC(=O)C2CCNCC2)cc1 1345790677 GVENEYZKIDYLJD-UHFFFAOYSA-N 305.382 -0.025 50 20 DBGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1cn[nH]c1)CC2 1348123559 XVIQROOKYWEFCU-VIFPVBQESA-N 304.314 -0.731 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)CO1 1574685867 GPLYUSWGQHRHHZ-HBNTYKKESA-N 314.338 -0.027 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(C(=O)O)CCOCC1 1589415471 IFBXORGXSLURMC-BDAKNGLRSA-N 300.311 -0.560 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)COCC(=O)O 1594465537 HIROESUAVOLZIP-UHFFFAOYSA-N 306.278 -0.495 50 20 DBGD Cn1nc(NC(=O)c2cc(B(O)O)ccc2F)cc1C(=O)O 1601014803 BLYVZBWCHZWCDL-UHFFFAOYSA-N 307.046 -0.811 50 20 DBGD CONC(=O)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 1605143886 HWCYOLVAQARAJM-UHFFFAOYSA-N 306.286 -0.830 50 20 DBGD NC(=O)c1ccc(NNC(=O)Cc2cccc(C(=O)O)c2)nn1 1610641380 RQIMSSLXNMQLDP-UHFFFAOYSA-N 315.289 -0.041 50 20 DBGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN 1795972464 CDBJZOFNQILYOP-LMLFDSFASA-N 303.790 -0.163 50 20 DBGD 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C[C@@H](c1ccccc1)[C@@H](NCC(=O)NNC(=O)C1CC1)C(N)=O 794722636 YVJYXNGZHZREES-IINYFYTJSA-N 318.377 -0.209 50 20 DBGD CNC(=O)[C@]1(C)CCN(CC(=O)NNC(=O)c2cccs2)C1 797527530 IQLOADFYABVOTQ-CQSZACIVSA-N 324.406 -0.033 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1c[nH]nc1Cl 842588499 BHJDLNMNVZBUPI-RITPCOANSA-N 308.747 -0.202 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(n2cnnc2O)CC1 846883024 QFDKTDRNMZKXDX-UHFFFAOYSA-N 324.385 -0.186 50 20 DBGD O=C(Cc1noc2ccccc12)NNC(=O)[C@H]1CCC(=O)N1 862450643 YDYFRRIWAHZSOL-SECBINFHSA-N 302.290 -0.204 50 20 DBGD COCCOCC(=O)NNS(=O)(=O)CCCCCl 872382679 AZPZIDYIAUXYNP-UHFFFAOYSA-N 302.780 -0.381 50 20 DBGD CN(C)c1ncc(CNC(=O)NNC(=O)c2ccc[nH]2)n1C 1116216984 FFJSJNXNGWLQHG-UHFFFAOYSA-N 305.342 -0.042 50 20 DBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=S)NC(C)C 1318280386 HTZYAEOINYFSSM-UHFFFAOYSA-N 322.394 -0.223 50 20 DBGD C=C(C)COCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1319151860 DDXSGGUCIXYDAK-UHFFFAOYSA-N 321.337 -0.057 50 20 DBGD NC(=O)N1CCC[C@@H](C(=O)NNc2nc3ccccn3n2)C1 1321852849 FQQPEMPIEVMSHA-SECBINFHSA-N 303.326 -0.037 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cnc(N(C)C)n1C 1329244540 MQJRWZVONGLULU-GXSJLCMTSA-N 324.385 -0.259 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)N1 1330108059 MMBIQYCGTPVKCK-MNOVXSKESA-N 322.365 -0.939 50 20 DBGD O=C(CN1CCNCC1)NNC(=O)c1ccc2ccccc2n1 1574300619 RFDXFTURZMJDSE-UHFFFAOYSA-N 313.361 -0.099 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cccnn1 1592501784 UTBIRSXVQKUYSC-UHFFFAOYSA-N 314.265 -0.367 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1)c1cn[nH]c1 1593157791 XCZNLNKPSUGHRB-UHFFFAOYSA-N 314.265 -0.630 50 20 DBGD COC(=O)c1cccc(NNC(=O)Cn2cc(C(=O)O)nn2)c1 1598999889 UJHINAWEKCSOOQ-UHFFFAOYSA-N 319.277 -0.094 50 20 DBGD O=C(O)CCc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1602045189 FKAAIVOCAVYACS-LLVKDONJSA-N 319.317 -0.257 50 20 DBGD C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843365304 JHURJJQFXPXFND-IUCAKERBSA-N 305.737 -0.141 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccc(C)o1 266935392 GQNBXUTZHLPODE-SNVBAGLBSA-N 324.337 -0.115 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1ncccn1 267129200 LEYPGWUQJJXWNC-UHFFFAOYSA-N 317.371 -0.736 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NN(C)CCOC)cc1 288448662 OXTAFEQULMVPEC-UHFFFAOYSA-N 301.368 -0.182 50 20 DBGD COC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2cccc(C)n2)O1 291060216 MZRYBNXWXIDXQA-WDEREUQCSA-N 307.306 -0.128 50 20 DBGD C=CCN(C(=O)c1ccc(B(O)O)cc1)[C@H]1CCS(=O)(=O)C1 584934362 SGGLIMAJIKDNLL-ZDUSSCGKSA-N 323.179 -0.818 50 20 DBGD COCCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H]1C 584950760 LDCUEXPAOVMNNW-LLVKDONJSA-N 324.161 -0.702 50 20 DBGD CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(B(O)O)cc1 584965403 QQGHIKKHOXECKU-CHWSQXEVSA-N 304.155 -0.599 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCS[C@H]2COCC[C@@H]21 584965820 UCTVDILNWACEJK-STQMWFEESA-N 307.180 -0.287 50 20 DBGD C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(B(O)O)cc1)C[C@@H](C)O2 584983204 NNDCUBYLZDISGB-WQGACYEGSA-N 319.166 -0.225 50 20 DBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NCB(O)O)cc1 585057085 KKOXZDHMDDAXII-UHFFFAOYSA-N 314.172 -0.541 50 20 DBGD COc1ccccc1NCC(=O)NNC(=S)NCC(N)=O 727064528 HSFXOEGDAHLKQK-UHFFFAOYSA-N 311.367 -0.912 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 731891854 RBTUDQBTUHICSS-NSHDSACASA-N 315.337 -0.625 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)C1CCC1 732143210 XAKCCENBVSEWGX-NSHDSACASA-N 310.354 -0.939 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCOCC(F)(F)F)cn1 735509559 BDDAIOJMMDHCRD-UHFFFAOYSA-N 309.248 -0.057 50 20 DBGD CNC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)NNC(=O)CC(C)C 747968333 XCLBQLMMCKFULY-WDEREUQCSA-N 300.403 -0.118 50 20 DBGD O=C(CO)NNC(=O)c1cccnc1I 758540720 DAPIPTAYIOSHEH-UHFFFAOYSA-N 321.074 -0.561 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2n(n1)CCCO2 763362624 CBPLXKMWVWIGNH-QMMMGPOBSA-N 310.310 -0.232 50 20 DBGD N#Cc1cccc(C(=O)NNS(=O)(=O)N2CCOCC2)c1 765075739 DQJDAJYAWLWERG-UHFFFAOYSA-N 310.335 -0.630 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 768409814 LYUKNSNUWYEDTC-UHFFFAOYSA-N 320.309 -0.660 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCC1(C)C 776140171 VNWTVJDPKCQAQK-BDAKNGLRSA-N 305.400 -0.102 50 20 DBGD Cn1cncc1CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 776317410 FGAZWJJFFKSGSI-CYBMUJFWSA-N 316.317 -0.050 50 20 DBGD CC(Cl)(Cl)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 776752321 IPTVBBVSGMNDLI-YFKPBYRVSA-N 303.167 -0.238 50 20 DBGD Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)CO)C(C)C)cc1 777781960 SWHIIUAUMRZKGP-ZDUSSCGKSA-N 307.350 -0.111 50 20 DBGD O=C(NNC(=O)[C@H]1CCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 786739857 JWYNHWRAUYKZRQ-GXSJLCMTSA-N 315.395 -0.805 50 20 DBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 793177032 POSSBUPNZAJENE-AEJSXWLSSA-N 321.399 -0.435 50 20 DBGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)CO)ccc2c1 806980002 IDNMTSWBWGZRKN-UHFFFAOYSA-N 317.301 -0.073 50 20 DBGD C#Cc1cncc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 807082005 KZCXFWZJENLFHK-UHFFFAOYSA-N 323.312 -0.351 50 20 DBGD O=C(O)CCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 819492594 QHRICCUUZOMSEF-UHFFFAOYSA-N 319.281 -0.919 50 20 DBGD CCN(CCS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 827283358 PYULEJWHYBREPG-NXEZZACHSA-N 321.399 -0.481 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCOC1)[C@H]1COc2ccccc2O1 840238920 JLORXMUNPNSCGM-BXUZGUMPSA-N 308.290 -0.875 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(S(C)(=O)=O)o1 843651889 PPJSTCQCCWEGOX-JGVFFNPUSA-N 316.335 -0.131 50 20 DBGD O=C(O)COCC(=O)NNc1ncc(Br)cn1 848454129 JHJSHWIWPKXFLB-UHFFFAOYSA-N 305.088 -0.217 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC(O)(CO)CC1 852499460 MLOZWCBBVBBOAC-LLVKDONJSA-N 301.387 -0.612 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 854216477 ADYOQPZFVYXRDM-GFCCVEGCSA-N 309.297 -0.027 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@@H]2CC(=O)N2)cc1C 854261093 SFRTXWQBHUHKGT-NSHDSACASA-N 318.333 -0.332 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ncc(Cl)cn1 857729183 MUWAKWIZIBBFID-MUWHJKNJSA-N 313.745 -0.151 50 20 DBGD Cn1ncc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C1CC1 860950377 LCUIYMWSWXOQLP-MRVPVSSYSA-N 306.326 -0.271 50 20 DBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1cn[nH]c1 862474116 MNLXBIPCYQRNDR-UHFFFAOYSA-N 320.309 -0.965 50 20 DBGD CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc(B(O)O)cc1 863877153 UHFZHTPVHQMFMP-ZDUSSCGKSA-N 305.139 -0.172 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccc(-n2cncn2)n1 1118637081 YKQZMRCIARWUDD-UHFFFAOYSA-N 317.309 -0.651 50 20 DBGD Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118866114 VFMWZKQQHXCCLJ-SNVBAGLBSA-N 320.353 -0.594 50 20 DBGD CCc1cc(C(=O)NNC(=O)CS(C)(=O)=O)c(C)nn1 1118894929 BCRMCVVDEBSSRG-UHFFFAOYSA-N 300.340 -0.847 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(C(=O)OC)cc1 1319298326 BWLQXRPDCRDUGR-UHFFFAOYSA-N 323.305 -0.481 50 20 DBGD Cc1nccn1CCCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1328782716 GVHZFBBKWCPMFJ-LLVKDONJSA-N 322.369 -0.419 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1conc1C1CC1 1329962473 HEPMIXDTICPMNI-ZCFIWIBFSA-N 316.339 -0.749 50 20 DBGD CC(=O)Nc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1C 1330226542 MLZJNRKCOMLOTQ-LLVKDONJSA-N 318.333 -0.007 50 20 DBGD COCCCS(=O)(=O)NCC(=O)N1CC=C(C#N)CC1 1337830850 VCRCKUYYHHHRIR-UHFFFAOYSA-N 301.368 -0.375 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](B(O)O)C2)c(C)o1 1351729917 QMSKCELHCDKZHU-MRVPVSSYSA-N 316.144 -0.815 50 20 DBGD COCCOCC(=O)NNC(=O)CNc1cccc(OC)c1 1579056639 QLEISIGSUZWXPU-UHFFFAOYSA-N 311.338 -0.083 50 20 DBGD O=C(NNC(=O)c1cccnn1)N[C@@H]1CNCCC1(F)F 1580736956 FDIJBGGKXDGNAA-MRVPVSSYSA-N 300.269 -0.582 50 20 DBGD Cc1nc(C(=O)NNc2nnc(C)n2C)ccc1-c1nn[nH]n1 1592349773 ZWUSKFSKOBWRAD-UHFFFAOYSA-N 314.313 -0.236 50 20 DBGD COCCN(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 1609323824 FPJUTJVAPRTIGR-UHFFFAOYSA-N 305.342 -0.112 50 20 DBGD Cc1c(NC(=O)NNC(=O)CCO)cccc1-c1nn[nH]n1 1609385197 UXGJNXFYVMGJGE-UHFFFAOYSA-N 305.298 -0.290 50 20 DBGD O=C(C[C@H]1C=CCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 48952865 WSIWNHHBDIPNQB-UWVGGRQHSA-N 301.368 -0.140 50 20 DBGD O=C(CO)NNC(=O)[C@H]1Cc2cc(Br)ccc2O1 194935377 VWTZNCLRNJUZLX-SECBINFHSA-N 315.123 -0.108 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)C1CCC1 264780203 QAZUOEAUPJMSAQ-YRRQLQLVSA-N 317.345 -0.259 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnns2)C[C@H](C)O1 264840488 LBFAQUZYYLXULT-IUCAKERBSA-N 313.383 -0.202 50 20 DBGD Cc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 273354623 BRPYJDAWWGLZIA-XCODYQFDSA-N 315.351 -0.314 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 286299907 JTKUMWHSTQYQDI-UHFFFAOYSA-N 318.355 -0.382 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 496116939 AARFOWFQCMKVKO-HTQZYQBOSA-N 316.314 -0.286 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(n2ccnn2)CC1 584965946 WKIQYVNEJSWDMS-UHFFFAOYSA-N 300.127 -0.565 50 20 DBGD CCc1nc([C@H](C)NC(=O)c2ccc(B(O)O)c(F)c2)n[nH]1 584968768 NGFVAVAVPBGOHD-ZETCQYMHSA-N 306.106 -0.323 50 20 DBGD O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(B(O)O)c(F)c1 584969630 GSEPJZKGYPNPSI-IAQYHMDHSA-N 323.129 -0.427 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 584984585 BJOXBEPHIRPEGI-ZNMIVQPWSA-N 319.166 -0.632 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2nccnc2N)C[C@H](C)O1 732261442 CSTWZPXDMQEYEY-UWVGGRQHSA-N 322.369 -0.681 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(C)nc1-c1ccncc1 733359367 NPRGQBJXBJYIRJ-UHFFFAOYSA-N 302.338 -0.195 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 745834523 UKOKJKVHZQDTIG-UHFFFAOYSA-N 312.351 -0.330 50 20 DBGD Cn1cccc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 745925021 BLIDSGICWWATMP-GFCCVEGCSA-N 300.384 -0.094 50 20 DBGD C#CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 753892151 UUJZJLMSLVULSR-UHFFFAOYSA-N 301.711 -0.618 50 20 DBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2ccc[nH]2)cc1C 757823960 VEWWKYHXYWHXPO-UHFFFAOYSA-N 319.325 -0.268 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1ccccc1O 767285357 DGZOUTZZZKVBLI-UHFFFAOYSA-N 322.365 -0.390 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cccc(F)c1C(=O)OC 773640217 AJYHYTVZKGWRKG-UHFFFAOYSA-N 319.314 -0.395 50 20 DBGD CCOC(=O)c1cc(C(=O)NNC(=O)CO)cc([N+](=O)[O-])c1 777781501 WMSHVMJPBRDVOV-UHFFFAOYSA-N 311.250 -0.475 50 20 DBGD O=C(CO)NNC(=O)CCC(=O)N1CCc2sccc2C1 777781920 RZCQXCZMTHCYBK-UHFFFAOYSA-N 311.363 -0.447 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1nc2ccccn2n1 791255516 FNFJGUGZBBVUAB-SECBINFHSA-N 324.366 -0.404 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cnc(N(C)C)nc1 814762596 DTSLBHGZBYTTPL-GFCCVEGCSA-N 320.397 -0.039 50 20 DBGD NC(=O)[C@H]1CC(C(=O)NNc2nc[nH]n2)=NN1c1ccccc1 816634628 OFYYYDMLYHCBRS-SNVBAGLBSA-N 314.309 -0.632 50 20 DBGD O=C(O)CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 819492383 GCUSXDXSBHUARL-SNVBAGLBSA-N 309.278 -0.369 50 20 DBGD O=C(Cn1ccnc1-c1nn[nH]n1)NNC(=O)c1cccs1 826424816 DYCLIFASDMEQLR-UHFFFAOYSA-N 318.322 -0.414 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 833438779 LJMGFWTYOXPCBT-NKWVEPMBSA-N 301.299 -0.621 50 20 DBGD COCCN(C)NC(=O)CNS(=O)(=O)c1ccccc1F 843882295 LYEFTPXJSQHPJR-UHFFFAOYSA-N 319.358 -0.287 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843975619 SGDLMLSODPEOHM-AEJSXWLSSA-N 300.359 -0.214 50 20 DBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)N1CCOCC1 847402428 DKPARXNCCKPORM-UHFFFAOYSA-N 308.342 -0.770 50 20 DBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)N1CCN(C)CC1 854382587 FXRRWPKZEZSWGA-JQWIXIFHSA-N 313.402 -0.475 50 20 DBGD COC(=O)c1ccc(O)c(C=NNC(=O)[C@H]2CCC(=O)N2)c1 863149263 WDCALGAHYOXRSL-SNVBAGLBSA-N 305.290 -0.093 50 20 DBGD COC(=O)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863870966 UISJENKSLHBCLC-UHFFFAOYSA-N 309.102 -0.469 50 20 DBGD CN(CCNC(=O)c1cccc(B(O)O)c1)C(=O)OC(C)(C)C 863872696 XTOWQMGTRHHTNH-UHFFFAOYSA-N 322.170 -0.037 50 20 DBGD COC1CC(C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 863898015 GIBWYJALEDIWPW-UHFFFAOYSA-N 306.322 -0.616 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C(C)C)N1CCCC1=O 869909102 JCDACIAMFNEKGV-ZDUSSCGKSA-N 315.370 -0.556 50 20 DBGD C[C@H](O)CN(C)NC(=O)CNS(=O)(=O)c1cccs1 910169918 HUQVZLGCPSXBKC-QMMMGPOBSA-N 307.397 -0.630 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)o1 915060969 LTEUBVULAZXWHW-UHFFFAOYSA-N 312.307 -0.409 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)cc1 915782617 DMVCLGHVMKLGKT-LLVKDONJSA-N 318.333 -0.002 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CSCC(=O)N1 929425840 BXIBYMQAMDJWNI-QMMMGPOBSA-N 320.440 -0.908 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1nccs1 1118805930 LVLZPJHPESXGJJ-SFYZADRCSA-N 311.367 -0.144 50 20 DBGD COC(=O)C1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1 1320412307 CKVIPRCVQJXRTL-UHFFFAOYSA-N 306.278 -0.879 50 20 DBGD O=C(NNC(=O)c1ccn(C(F)F)n1)C(=O)N1CCCC1 1323445745 PKUSCHSZKZZMNG-UHFFFAOYSA-N 301.253 -0.338 50 20 DBGD C[S@](=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1329202231 XJSRCVXWKAJRCM-UZJPJQLHSA-N 309.347 -0.536 50 20 DBGD COC(=O)CCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1332354592 JYABZYSHGQKGSW-UHFFFAOYSA-N 308.294 -0.489 50 20 DBGD COC[C@@H]1COCCN1C(=O)NNC(=O)[C@H]1CCO[C@H]1C 1340266261 SGGXPUYCWSDSEP-AXFHLTTASA-N 301.343 -0.501 50 20 DBGD COc1ncnc(N)c1C=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1 1549318745 QXNNLRFAAXFBSI-ONGXEEELSA-N 320.353 -0.619 50 20 DBGD CN(C)N(C(=O)[C@@H]1NCc2n[nH]cc21)[C@H]1CCS(=O)(=O)C1 1578420163 AVOWQTSOOVMTHM-GZMMTYOYSA-N 313.383 -0.954 50 20 DBGD NCCCC(=O)NNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 1580289089 LAQANCKLGLAYNM-ZUZCIYMTSA-N 302.334 -0.217 50 20 DBGD O=S(=O)(CBr)NCc1cn(C2CNC2)nn1 1580861412 WVUPPPBPLPLJFT-UHFFFAOYSA-N 310.177 -0.806 50 20 DBGD O=C(NNc1ncncc1F)C(=O)Nc1cccnc1C(=O)O 1594781097 GOTZBJPXHRCZTA-UHFFFAOYSA-N 320.240 -0.209 50 20 DBGD O=C(CNc1ccccc1)NNC(=O)Cn1ccc(C(=O)O)n1 1601329862 YJKHQIDQOKUQGN-UHFFFAOYSA-N 317.305 -0.159 50 20 DBGD O=C(NCc1ccc2c(=O)cc[nH]c2c1)NNC(=O)C(=O)O 1601540805 XYEUXSRHNSSLSM-UHFFFAOYSA-N 304.262 -0.557 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc2c(cc1C(=O)O)OCO2 1603052087 CCTSMQHPQKIZIA-UHFFFAOYSA-N 309.234 -0.781 50 20 DBGD Cn1cc(C(=O)NNC(=O)C2(CC(=O)O)CCC2)ccc1=O 1605481033 FDCCNVYUTVAAIF-UHFFFAOYSA-N 307.306 -0.209 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609099847 CBLDBFVRRDKZAI-UHFFFAOYSA-N 317.309 -0.848 50 20 DBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C1CC1 1801636029 VRMIUWNOYRYZBR-USZNOCQGSA-N 316.785 -0.414 50 20 DBGD CS(=O)(=O)NC1CCN(S(=O)(=O)CCCCl)CC1 37842547 HJHSEFWKHIUIRQ-UHFFFAOYSA-N 318.848 -0.041 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2COCCO2)c1 47954432 PIBISHFIVOECLF-LBPRGKRZSA-N 310.306 -0.120 50 20 DBGD CCN(C)S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 266764315 HMLCRPIGGCAKLV-UHFFFAOYSA-N 315.351 -0.111 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2cncc(Cl)n2)O1 268475445 ZOJGQQKBZCHQCJ-RQJHMYQMSA-N 314.733 -0.211 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CSc1nnc2ccccn12 278018812 SRHLMUWLKUHDAT-UHFFFAOYSA-N 309.351 -0.260 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)CN1CCCC1=O 298074116 BKGWAYFNPVMKJL-UHFFFAOYSA-N 320.349 -0.123 50 20 DBGD CCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)C(C)(C)C 298880721 YSYXOUPVWWAWDK-UHFFFAOYSA-N 318.355 -0.058 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 378520908 XXORNJFBHCTWSB-VIFPVBQESA-N 321.362 -0.200 50 20 DBGD CCO/C=C(\C#N)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 490752619 DLYDUCJOBUPNSJ-ACCUITESSA-N 322.365 -0.373 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)c1cn(C[C@@H]2CCOC2)nn1 584912374 RJWZMXNTEAQIHA-JTQLQIEISA-N 316.126 -0.753 50 20 DBGD C[C@H]1CN(CCCNC(=O)c2cccc(B(O)O)c2)C[C@H](C)O1 584928894 OIYJXMVWTGVTRT-STQMWFEESA-N 320.198 -0.405 50 20 DBGD O=C(NCCCO[C@@H]1CCOC1)c1ccc(B(O)O)c(F)c1 584958896 URJIVVLHULQYPY-LLVKDONJSA-N 311.118 -0.569 50 20 DBGD O=C(N[C@H](CO)C1CCOCC1)c1ccc(B(O)O)c(F)c1 584984407 UTJJAHUZZMYAHW-CYBMUJFWSA-N 311.118 -0.977 50 20 DBGD COCCn1cc(CNC(=O)c2cccc(B(O)O)c2)cn1 584986592 GVSKGYDEPAIGEZ-UHFFFAOYSA-N 303.127 -0.861 50 20 DBGD CC1(C)NC(=O)CC[C@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584987918 XSGDLUMNRQWLKZ-LLVKDONJSA-N 308.118 -0.708 50 20 DBGD CCN(CC)C(=O)c1ccc(S(=O)(=O)NCB(O)O)cc1 585053809 CYCOGDLHUOGPHD-UHFFFAOYSA-N 314.172 -0.541 50 20 DBGD O=S(=O)(Cc1ccc(Br)cc1)NCB(O)O 585056339 SYAWEGJQNVCOHM-UHFFFAOYSA-N 307.962 -0.120 50 20 DBGD CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 585058529 HVHPVXSGFLUNBA-JTQLQIEISA-N 312.156 -0.118 50 20 DBGD O=C(NCB(O)O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 585063072 RQODPDMISAVBSB-TUAOUCFPSA-N 304.159 -0.258 50 20 DBGD CC1=C(C(=O)N2CC[C@@H](B(O)O)C2)[C@@H](C)n2ncnc2N1C 585064107 MORIPUPGUDJDMK-NXEZZACHSA-N 305.147 -0.362 50 20 DBGD CC(=O)NC[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 744406190 AIWOKFUEUAJGDC-NSHDSACASA-N 314.386 -0.983 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C2(O)CCOCC2)cc1 771868614 QBTPAAVRGWRYRD-UHFFFAOYSA-N 319.317 -0.374 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 788890167 MGAXSESWXJSPOY-CABZTGNLSA-N 320.415 -0.766 50 20 DBGD CCCNC(=O)NNC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 792093493 SKONWJFMXITOBH-AWEZNQCLSA-N 310.354 -0.352 50 20 DBGD O=C(NNS(=O)(=O)c1cccc2c1OCO2)c1cnccn1 800832951 QHAXLJCVJQEOJG-UHFFFAOYSA-N 322.302 -0.171 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)Nc1cc(F)cc(F)c1 802004739 NBIQGHHPMZXXMT-UHFFFAOYSA-N 322.293 -0.333 50 20 DBGD Cc1nc(SCC(=O)NNC(=O)N=c2cc[nH]cc2)n[nH]1 802034274 HEYIEZTYOJOPHV-UHFFFAOYSA-N 307.339 -0.125 50 20 DBGD Cn1nncc1NC(=O)NNC(=O)COc1ccc(C#N)cc1 809901555 KIJVNXSTKNXVSE-UHFFFAOYSA-N 315.293 -0.082 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)n1C 815886747 HTBYPDIKDZCGMR-UHFFFAOYSA-N 305.294 -0.082 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1COCCO1 823273736 WJJZAZWFTXAWDU-QMMMGPOBSA-N 308.323 -0.206 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 826667534 PUOBOHFOFFJTPH-QJPTWQEYSA-N 319.365 -0.206 50 20 DBGD O=C(CNC(=O)NNC(=O)[C@H]1CCCCO1)NC1CCCC1 836266499 YLPHQQIPJQZXTR-LLVKDONJSA-N 312.370 -0.055 50 20 DBGD C[C@H]1CNCCN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 843347289 QGBZDDZXLRHKHS-JTQLQIEISA-N 321.337 -0.351 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](N2CCOCC2)C1 846942077 YYVMOYYIFBYDGX-CHWSQXEVSA-N 312.414 -0.271 50 20 DBGD CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1 854315085 VIQPDBORELKWQM-JTQLQIEISA-N 311.386 -0.532 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 854379338 XQAFXYGNKNXKCB-UHFFFAOYSA-N 323.309 -0.098 50 20 DBGD O=C(CS(=O)(=O)C1CCCC1)NNC(=O)c1cc[nH]n1 855359085 DYJOPCCCDOVPHT-UHFFFAOYSA-N 300.340 -0.472 50 20 DBGD CCOCCn1cc(C(=O)NNC(=O)c2ncccn2)cn1 857290986 QGFNCQIHGNUPFI-UHFFFAOYSA-N 304.310 -0.216 50 20 DBGD Cc1cccc([C@@H](O)CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858697485 SWPLJWWIURLMCP-NEPJUHHUSA-N 320.349 -0.363 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H](CO)Cc2ccccc2)N1 858698424 ZRXJAWWNWYPVTN-NEPJUHHUSA-N 320.349 -0.801 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862451137 JCFXFBAWBQIXGG-SNVBAGLBSA-N 305.290 -0.487 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3nn[nH]c3cc2F)N1 862461453 PHVADUGKRIIULG-SSDOTTSWSA-N 306.257 -0.863 50 20 DBGD CN1CCN(C)[C@@H](CNC(=O)NNc2ccc(C#N)cn2)C1 888251473 LPXOGXDTUFEIMV-LBPRGKRZSA-N 303.370 -0.175 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccnc(C)n1 1116205097 NLPBFMYFCPKYRI-VIFPVBQESA-N 311.342 -0.333 50 20 DBGD CCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CCO 1116623698 SAZRCIAOIVHGJI-UHFFFAOYSA-N 309.322 -0.138 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccn(-c2ccccc2)n1 1319300512 XCWJZHZIOLKKRD-UHFFFAOYSA-N 317.305 -0.124 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)C[S@](C)=O 1320955703 LECXWLWFQROXKU-WDKLKTEZSA-N 309.388 -0.865 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 1321140830 TWJDIKUADPJTQN-UHFFFAOYSA-N 304.306 -0.077 50 20 DBGD C=CCOc1cccc(NC(=O)C(=O)NNC(=O)C(=O)OC)c1 1326089659 JRAVDJSKYOYATL-UHFFFAOYSA-N 321.289 -0.490 50 20 DBGD COCCn1nc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccc1=O 1326384223 WSIYEZYDTPIJSJ-UWVGGRQHSA-N 324.337 -0.924 50 20 DBGD Cn1ncc(CCCNC(=O)NNC(=O)c2cccc(F)n2)n1 1327574359 QYCLJUCPQWZEBD-UHFFFAOYSA-N 321.316 -0.074 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)N1 1330108060 MMBIQYCGTPVKCK-QWRGUYRKSA-N 322.365 -0.939 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnnn1C 1343881193 CJNIOSDOGWVEEA-MRVPVSSYSA-N 300.344 -0.975 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CNCCCO2)c1 1580074689 MLMXGYRQJDBTKQ-ZDUSSCGKSA-N 317.349 -0.119 50 20 DBGD O=C(CC[C@H]1CCNC1)NNC(=O)[C@H]1CCN1C1CCOCC1 1580528314 MQCYNHBLHZMOJG-GXTWGEPZSA-N 324.425 -0.223 50 20 DBGD O=C(NNC(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1)c1ncccn1 1601555620 AOHXQNLLRABDBT-VHSXEESVSA-N 319.321 -0.126 50 20 DBGD CC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1792974574 CZSPHXQTWOQVTD-IYKVGLELSA-N 318.801 -0.005 50 20 DBGD CN(C)CC(=O)NNC(=O)CCCNC(=O)c1ccsc1 170796360 BAUNMPGOMZPHDK-UHFFFAOYSA-N 312.395 -0.033 50 20 DBGD Cn1/c(=N\NC(=O)[C@@H](CO)NC(N)=O)sc2ccccc21 179456563 AHVXILSMMZURRN-RDDGZYNASA-N 309.351 -0.799 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2COCCO2)cc1 298496045 WUTSPTWNVQIIGL-GFCCVEGCSA-N 309.322 -0.330 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccccc1S(N)(=O)=O 491616943 MVOCRIBPGNJYHB-UHFFFAOYSA-N 323.352 -0.727 50 20 DBGD COC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 495448605 PHMNXXRHXXMJSF-SNVBAGLBSA-N 323.284 -0.367 50 20 DBGD CCN1CCC(C#N)(NC(=O)c2ccc(B(O)O)cc2)CC1 584963030 OLKLESXFAYSMAW-UHFFFAOYSA-N 301.155 -0.526 50 20 DBGD C[C@H]1C[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)c2ncnn21 585006573 OFPMHPSJQJNXQF-CPCISQLKSA-N 304.090 -0.467 50 20 DBGD COC[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 745322347 UEWNHRIZNLBGCL-HNNXBMFYSA-N 324.333 -0.303 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 751213175 RVRUXDFACVXMSI-UHFFFAOYSA-N 303.296 -0.397 50 20 DBGD CC[C@@H](C(=O)NNC(=O)CS(=O)(=O)NC)c1ccccc1 751576538 ATNIACSNXWXZBP-LLVKDONJSA-N 313.379 -0.123 50 20 DBGD Cc1ccc(C(=O)NNC(=S)NCCNS(C)(=O)=O)o1 752246064 SLNNXEHGAHBAEO-UHFFFAOYSA-N 320.396 -0.754 50 20 DBGD CCc1c(NC(=O)C(=O)NNC(=O)CO)cnn1CC(C)C 764428643 JYAYBWCAVNRUNF-UHFFFAOYSA-N 311.342 -0.820 50 20 DBGD CC(C)(C(N)=O)C(=O)NNC(=O)Cn1cnc2ccccc21 767416334 YFBJEHVBFDBNKZ-UHFFFAOYSA-N 303.322 -0.305 50 20 DBGD CCOc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)co1 771939770 ODNSNBZSWHVETC-ZETCQYMHSA-N 317.323 -0.731 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CC(=O)NCC(F)(F)F 779663618 LTZMZQGMBFYDGP-UHFFFAOYSA-N 307.232 -0.452 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCS1)N[C@@H]1CCS(=O)(=O)C1 783043127 ZPGFPHQDAYPFFE-BDAKNGLRSA-N 321.424 -0.210 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1S(C)(=O)=O 787950983 YYTLMECWMGSSFU-UHFFFAOYSA-N 314.363 -0.070 50 20 DBGD COC1(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCC1 792317314 QZGMJLUGTVZNJA-QMMMGPOBSA-N 307.372 -0.969 50 20 DBGD Cn1ccnc(NC(=O)NNc2nc3ccccn3n2)c1=O 792360404 SAFOOZHBEGNRNE-UHFFFAOYSA-N 300.282 -0.028 50 20 DBGD Cc1cc(C)nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 800806729 KEQBUYPQRFDBPD-SNVBAGLBSA-N 311.363 -0.106 50 20 DBGD O=C(NN=Cc1ccccc1-c1nn[nH]n1)C(=O)N1CCCC1 826444695 QNNHFDYLEXFSCK-UHFFFAOYSA-N 313.321 -0.061 50 20 DBGD CC[C@@H](C(=O)NNC(=O)C(C)(C)O)N1CCO[C@H](CC)C1 830696048 ACVACUKGZXUKRZ-MNOVXSKESA-N 301.387 -0.206 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCCS1(=O)=O 843655045 HNVWIEHKQMKWCW-LPEHRKFASA-N 304.368 -0.474 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843793079 PHGPCNXEFIHOFQ-NSHDSACASA-N 305.338 -0.120 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H]1COCCO1 852495432 KGOIHGXXFRJRJZ-VXGBXAGGSA-N 301.387 -0.084 50 20 DBGD COc1ccnc(C=NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)n1 853391018 WKCRGJGHFJEIIX-MNOVXSKESA-N 305.338 -0.202 50 20 DBGD Cc1cc(=NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc[nH]1 862514053 PLPZQSQERIOUAW-SNVBAGLBSA-N 313.383 -0.829 50 20 DBGD COCCOCC(=O)NNC(=O)C(=O)N1CCC[C@H](C)C1 869907293 HRDXCPJMGWETMQ-JTQLQIEISA-N 301.343 -0.945 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccccc2)[C@@H](CO)C1 879002712 LYTPGZANXJQIGS-CYBMUJFWSA-N 306.366 -0.944 50 20 DBGD CCCNC(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 921038246 MMVKKRNWMHQOQI-UHFFFAOYSA-N 320.415 -0.067 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 1116729451 DFZXUIFQVUZIRP-UHFFFAOYSA-N 323.305 -0.267 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(CN3CCCC3)on2)N1 1261829767 APESNQWVTYNWLB-SNVBAGLBSA-N 321.337 -0.690 50 20 DBGD O=C(NNC(=O)c1cnn2cccnc12)C(=O)N1CCCC1 1318077408 JCGQHLBJSDSHKX-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1cnn(C)c1 1318834609 UBXKQCCCHUOWTR-SECBINFHSA-N 308.342 -0.566 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)Cc1cc[nH]n1 1320521114 NEFIFXVTTIFDEE-UHFFFAOYSA-N 318.293 -0.858 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)NCC(F)(F)F 1321137679 XMLZXSXETYISIW-UHFFFAOYSA-N 300.237 -0.968 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc[nH]2)c(=O)c2cnn(C)c21 1321296668 CLOXDUZYNSRTTN-UHFFFAOYSA-N 314.305 -0.325 50 20 DBGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)N1CCOCC1 1324273316 UCOMLYOPHURVDE-JTQLQIEISA-N 319.383 -0.726 50 20 DBGD CCN1C[C@H](NC(=O)NNc2nncc(N)c2Cl)CC1=O 1324651654 PEHXCMHNISAUFN-ZCFIWIBFSA-N 313.749 -0.041 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc2c(nc1O)CCCC2=O 1324683779 CRKAHLIFKRRBLR-UHFFFAOYSA-N 307.306 -0.162 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 1330168182 LLUICWOLEJVRMW-UHFFFAOYSA-N 301.324 -0.714 50 20 DBGD CC(C)(C=NNC(=O)[C@H]1CN2CCC[C@H]2CO1)S(C)(=O)=O 1549321822 VCNJPDORYZWGOW-WDEREUQCSA-N 317.411 -0.225 50 20 DBGD CC[C@@](COC)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)O 1595189484 NWYOUBDABVSBSA-ZDUSSCGKSA-N 313.090 -0.885 50 20 DBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1C(=O)O 1603425782 UQWKSHPOUBEKLD-KWQFWETISA-N 309.102 -0.312 50 20 DBGD COC(=O)CN(CC(=O)O)C(=O)/C(C#N)=C/c1cnn(C)c1 1606464246 SSYBTHHYKXIEDF-XCVCLJGOSA-N 306.278 -0.587 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1OC 1606495820 DACQUXCUWPJVTI-UHFFFAOYSA-N 304.280 -0.057 50 20 DBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)NCC1CC1 139409755 RBGGNEMZJLWYKB-PHIMTYICSA-N 320.349 -0.322 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)o1 264103738 HYFYAUWPHRLEOI-RXMQYKEDSA-N 309.731 -0.368 50 20 DBGD CCc1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc1 272379753 BGCQVLLMBJLMRX-UHFFFAOYSA-N 315.351 -0.086 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 273121343 CNRATECTTLEHOK-HTQZYQBOSA-N 314.342 -0.674 50 20 DBGD CCc1ccccc1S(=O)(=O)NNC(=O)NCC(=O)OC 275028920 OURQVMVTVYDPKM-UHFFFAOYSA-N 315.351 -0.086 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccc(Cl)nc1 298779287 HNVZPCGTWMKTHH-UHFFFAOYSA-N 305.743 -0.069 50 20 DBGD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 361169631 NUFPWZRDZHJLOA-MXWKQRLJSA-N 324.381 -0.247 50 20 DBGD C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc(B(O)O)c1 584949714 UGQXRHZCDZPPCR-VHSXEESVSA-N 311.168 -0.986 50 20 DBGD CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 584964989 NBLHNKPVXRQVQV-LBPRGKRZSA-N 308.118 -0.754 50 20 DBGD O=C(NCCc1cn2c(n1)SCC2)c1cccc(B(O)O)c1 584979751 DMBMJZCSXKBGCY-UHFFFAOYSA-N 317.179 -0.359 50 20 DBGD Cc1nc(C(F)(F)CNC(=O)c2cccc(B(O)O)c2)n[nH]1 584992114 LSUIWHMCZARBRB-UHFFFAOYSA-N 310.069 -0.685 50 20 DBGD CCN(C)C(=O)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)C 584995608 OMRUTAVDIJZOIB-ZDUSSCGKSA-N 324.161 -0.262 50 20 DBGD O=C(O)NCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 739938417 UBLBRSJRYTXWHE-JTQLQIEISA-N 309.278 -0.369 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(C(=O)C2CC2)CC1 744385713 UCEAPVXNGXSGJO-UHFFFAOYSA-N 310.398 -0.266 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)Cn1cccn1 751209251 MOSUXMHVALTUCM-UHFFFAOYSA-N 307.335 -0.478 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(C)cc1F 753774391 JVABTKSYUIOMHZ-UHFFFAOYSA-N 305.287 -0.045 50 20 DBGD NC(=O)C[C@@H](NCC(=O)NNC(=O)C1CC1)C1CCCCC1 754501822 IHXKAGHNAMPBPC-GFCCVEGCSA-N 310.398 -0.042 50 20 DBGD CCCn1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)nn1 766320720 OHMMSEYCJLNTKE-UHFFFAOYSA-N 305.342 -0.037 50 20 DBGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)C(=O)NC(C)C)c1C 769074498 BQKUPIGJBYCMLG-UHFFFAOYSA-N 324.337 -0.296 50 20 DBGD CSCCNC(=S)NNC(=O)CCCS(C)(=O)=O 769766257 UOXXEMHFSBWZFZ-UHFFFAOYSA-N 313.470 -0.331 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)S(C)(=O)=O 772024735 UUOKUGTZESKMCF-DTWKUNHWSA-N 322.383 -0.455 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)N1CCCC1=O 772163716 DBDCQYKATVBOBG-NXEZZACHSA-N 313.354 -0.124 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2nnc(O)n2c1 772233305 UYDUFJCIWSZFKY-ZETCQYMHSA-N 321.293 -0.462 50 20 DBGD C[C@H](C#N)CNC(=O)NNC(=O)CNC(=O)c1cccs1 781944389 MIFOAAHXJRPQII-MRVPVSSYSA-N 309.351 -0.032 50 20 DBGD CN(NC(=O)Cn1c(S)nc2ccccc2c1=O)C(N)=O 782124712 QDXHZOVPIMHXMQ-UHFFFAOYSA-N 307.335 -0.273 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)Cc1ccncc1 788896311 NLIPQWINIICHSI-JTQLQIEISA-N 307.354 -0.179 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cc(C(=O)N(C)C)ccn1 794275953 XFZNHYOQRHHXAA-UHFFFAOYSA-N 309.326 -0.027 50 20 DBGD CCCN1CC[C@@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1 823053495 AFYYWPZDVRWNFZ-DGCLKSJQSA-N 318.443 -0.148 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)c2ccccc2F)C1=O 823520590 JTHJYBXIFXSRDI-JTQLQIEISA-N 322.296 -0.083 50 20 DBGD CCN(CCO)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 823897661 IIZSQYYBGBIJFW-HTQZYQBOSA-N 318.317 -0.445 50 20 DBGD Cc1cc(C)nc(NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)n1 823899021 PRQAPJDKUFIZAY-VIFPVBQESA-N 306.326 -0.133 50 20 DBGD C[C@@H](C(=O)NN(C)[C@H](C)CO)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 823988378 REWSYDHRZVNQTG-WRWGMCAJSA-N 311.382 -0.106 50 20 DBGD CC[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 825680144 VCQKMSRDSHKPMG-SNVBAGLBSA-N 319.325 -0.418 50 20 DBGD O=C(NNc1cc(F)c(F)cc1F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 830821443 UBWXNLRWZSQWIJ-IJLUTSLNSA-N 318.251 -0.040 50 20 DBGD O=C1[C@@H]2[C@@H](C(=O)N1CCNS(=O)(=O)CCl)[C@H]1C=C[C@H]2C1 830833628 IVLQLNFDSMDQML-XKNYDFJKSA-N 318.782 -0.091 50 20 DBGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C12CCC2 838770661 YEXRBFKTLZQATL-WDEREUQCSA-N 324.381 -0.103 50 20 DBGD Cc1cnc2cc(C(=O)NNC(=O)C(=O)NC(C)C)ccn12 847298582 NGPXMVRRNXYYRE-UHFFFAOYSA-N 303.322 -0.072 50 20 DBGD CN(C)S(=O)(=O)NCCNC(=O)NNC(=O)CC(C)(C)C 854109579 KMKPTBSUTCKKGK-UHFFFAOYSA-N 323.419 -0.851 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)(F)F)c1cc[nH]n1 855356471 RUJSJGAMGCEFCM-MRVPVSSYSA-N 321.259 -0.566 50 20 DBGD COC(C)(C)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858250806 HFGAHKSLHGPLDJ-DTWKUNHWSA-N 300.359 -0.201 50 20 DBGD O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1CCC(=O)N1 862451027 GZXWSDSPTANNIJ-SNVBAGLBSA-N 322.277 -0.600 50 20 DBGD CC(C)(C#N)CCS(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863413780 ZGCKZDJJXNQTOM-MRVPVSSYSA-N 302.356 -0.845 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc2c1OCCO2 863461073 VKUCNCJOXPUSHL-UHFFFAOYSA-N 314.319 -0.737 50 20 DBGD CC(C)(C)OC(=O)C1CN(C(=O)c2cccc(B(O)O)c2)C1 863883857 PRVHVYGTNXZKQY-UHFFFAOYSA-N 305.139 -0.220 50 20 DBGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)C1CCOCC1 882804616 PVDUDLWCRSNFMU-ONGXEEELSA-N 303.384 -0.237 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)Cc2ccncc2)c1C 1116186203 PNZJIPZCDDKPJC-UHFFFAOYSA-N 315.333 -0.204 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 1254935236 FZLYGCDQFGWHDA-UHFFFAOYSA-N 320.305 -0.079 50 20 DBGD Cc1nc(CCCC(=O)NNC(=O)CS(C)(=O)=O)cs1 1261835370 SOADFJPOGVNGEI-UHFFFAOYSA-N 319.408 -0.034 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)NCCn3cccn3)nc21 1319276962 YLUHSINLMYJMLF-UHFFFAOYSA-N 317.313 -0.408 50 20 DBGD NC(=O)c1ccc(NNC(=O)C2CCN(C3CC3)CC2)nn1 1321312142 SKPVCCWUBMEDRT-UHFFFAOYSA-N 304.354 -0.107 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1323292152 PZPQPGCHURPDFK-VIFPVBQESA-N 303.384 -0.106 50 20 DBGD Cc1ncc(Br)c(C(=O)NNC(=O)CN(C)C)n1 1326308093 LWDWBNQGUYRHGO-UHFFFAOYSA-N 316.159 -0.130 50 20 DBGD COC(=O)c1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1328783303 LGDXHGUOSJMPTD-MRVPVSSYSA-N 324.293 -0.825 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCC[C@H](S(C)(=O)=O)C1 1330144392 ZCNKNGWMRGDTER-VIFPVBQESA-N 310.397 -0.510 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCC(=O)N1 1333607213 XEQTZQILAXFQAY-CYBMUJFWSA-N 309.301 -0.167 50 20 DBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCO)cn1 1338050678 BERGQLCIRYDBEY-UHFFFAOYSA-N 302.312 -0.980 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C[C@@H]1CCOC1 1340495161 PTJFEQNCSHGSCJ-JTQLQIEISA-N 306.322 -0.615 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)N1 1340499717 UKJIEKLOWFDWES-OIMNJJJWSA-N 314.345 -0.066 50 20 DBGD CN(NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C(N)=O 1341908492 FCEXIDUVFWMCGB-UHFFFAOYSA-N 305.294 -0.500 50 20 DBGD O=C(CN1CCNCC1)NNC(=O)Cn1ccc2ccccc21 1574300348 IWTTZIZYAHCQDA-UHFFFAOYSA-N 315.377 -0.306 50 20 DBGD Cc1nnnn1-c1ccc(C(=O)NNC(=O)[C@H]2CCN2)cc1 1579915251 JNCVVFPHCMPGJY-LLVKDONJSA-N 301.310 -0.906 50 20 DBGD CC(C)(C(=O)O)n1cc(NC(=O)c2cccc(B(O)O)c2)cn1 1588619843 CUNIOQWIJUHQTL-UHFFFAOYSA-N 317.110 -0.365 50 20 DBGD CN1CCN(C(=O)NN=Cc2cccc(-c3nn[nH]n3)n2)CC1 1591190297 SXQNSRSYEBSOIE-UHFFFAOYSA-N 315.341 -0.447 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1)c1cc(-c2nn[nH]n2)ccn1 1593157504 CHGICMGZLAESJJ-VIFPVBQESA-N 319.350 -0.082 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 1593804855 VYXTZJDVOHIRDK-NXEZZACHSA-N 321.289 -0.197 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)Cc1cn2ccccc2n1 1593908250 GILOJXNDTVORSJ-NSHDSACASA-N 306.278 -0.876 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 1594644803 NUTILFZSTNBRJK-YTWAJWBKSA-N 314.338 -0.171 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)C1CCOCC1 1594782949 OVUVNSSFPKLJCS-UHFFFAOYSA-N 300.311 -0.558 50 20 DBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(C)=O 1795335792 WWRIAZHPKZMWCC-WRWGMCAJSA-N 304.774 -0.150 50 20 DBGD COc1ccc(NNC(=O)NCC(=O)N2CCOCC2)nc1 275903703 CHGXWEBOPWTQLJ-UHFFFAOYSA-N 309.326 -0.425 50 20 DBGD CCOC(=O)COCCNC(=O)NNc1nccc(OC)n1 297362557 DBVVKNCMUOOVPE-UHFFFAOYSA-N 313.314 -0.309 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)s1 299191513 RKRYLGLVMNCXIH-UHFFFAOYSA-N 310.335 -0.288 50 20 DBGD COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)CN(C)C)C2 363407560 ZUUVDRLWYPYFPM-NSHDSACASA-N 307.350 -0.045 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NNC(=O)CO)C1 363843693 GUPZRTFBHPJLSR-GFCCVEGCSA-N 305.306 -0.525 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](OC(=O)N(C)C)C1 497123576 DAAXLXQIXNXDJZ-ZJUUUORDSA-N 300.359 -0.295 50 20 DBGD CN(C)c1ncc(CNC(=O)c2ccc(B(O)O)c(F)c2)n1C 584943372 DCNMSWYXICYMRG-UHFFFAOYSA-N 320.133 -0.765 50 20 DBGD CN1CC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)CC1=O 584999746 CTKOGZVYGRBWSN-SECBINFHSA-N 308.118 -0.896 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 731283224 DVGGUBQTJVMLHC-QWRGUYRKSA-N 300.359 -0.784 50 20 DBGD CNC(=O)NNC(=O)CS(=O)(=O)NC1CCC(C)CC1 731617818 SLYFGTGJMSJHLU-UHFFFAOYSA-N 306.388 -0.555 50 20 DBGD CN1CCN(CC(=O)NNc2nc(-c3cccnc3)no2)CC1 732284930 JHTCIZPIWWIMKZ-UHFFFAOYSA-N 317.353 -0.178 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccccc2)c(=O)n(C)c1=O 734985949 ICCBNLMXCNFVQS-UHFFFAOYSA-N 302.290 -0.841 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 736849282 RBXJTWXLEZEKAR-NSHDSACASA-N 315.337 -0.421 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1 745834148 NKVGWXJBWZJOMQ-UHFFFAOYSA-N 300.296 -0.002 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)cc1 763283430 JTOIMJGKDJNOTK-UHFFFAOYSA-N 318.377 -0.216 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(F)ccc1OC(F)F 764428492 FSICUFNLMVXFPB-UHFFFAOYSA-N 321.211 -0.495 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccccn2)c(=O)n1 765974108 PJUSHTCHQMSCMW-UHFFFAOYSA-N 301.306 -0.284 50 20 DBGD COC[C@H](O)C(=O)OCC(=O)NNC(=O)c1cccs1 766148720 QCBFIQBIYQVGIK-ZETCQYMHSA-N 302.308 -0.940 50 20 DBGD COC(=O)C[C@@]1(NCC(=O)NNC(=O)C(C)(C)C)CCOC1 767034370 XJZGSMWLZUIPCB-AWEZNQCLSA-N 315.370 -0.508 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O 768762795 XUKAHPSRLBAWLE-CABZTGNLSA-N 322.321 -0.332 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C2(C(N)=O)CC2)nc1C 778430504 SVAYPWGPIZQRKO-UHFFFAOYSA-N 307.310 -0.330 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 780365479 LJYQIBITVADQRC-UHFFFAOYSA-N 321.380 -0.734 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826156471 FJSZKWCWDKIOAL-UHFFFAOYSA-N 308.302 -0.825 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NC[C@@H]1CCCN1 841937487 UFPQOPGADQHASE-JTQLQIEISA-N 308.338 -0.147 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc2c(c1)nnn2C 843657123 OYXDSIZQHBVUNH-CBAPKCEASA-N 304.310 -0.451 50 20 DBGD O=C(NNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)[C@@H]1CCCCO1 844664835 XBGZFFCYBWBPIJ-DCAQKATOSA-N 303.384 -0.095 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H](O)C2CC2)c2ccccc2c1=O 854205491 WBJYYJWASGZDQC-GFCCVEGCSA-N 316.317 -0.535 50 20 DBGD C[C@H](CN1CCCCC1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858276001 NDZNLYXNYCONNA-GHMZBOCLSA-N 311.386 -0.530 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1[C@H]1CCCO1 858701651 YFRCUTSOBVZCCB-HOSYDEDBSA-N 324.381 -0.105 50 20 DBGD Cc1ncc(C(=O)NNC(=O)CS(C)(=O)=O)c(C(C)C)n1 863463911 YSDGYZPISNPFJY-UHFFFAOYSA-N 314.367 -0.286 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 887152108 WTILSYHCNUXQMF-NSHDSACASA-N 317.349 -0.276 50 20 DBGD COCCNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 920823234 WRMDXZYQBRQTGI-UHFFFAOYSA-N 302.375 -0.094 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C 920862158 OUQVRTJXMRQTJT-VIFPVBQESA-N 302.375 -0.096 50 20 DBGD O=C(NNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)c1cn[nH]c1 1118864142 LERVUDLFWMQKJS-JTQLQIEISA-N 320.353 -0.292 50 20 DBGD CCOCCCNC(=S)NNC(=O)CCN1CCOCC1 1317702469 GQFUWMMLNWQOJI-UHFFFAOYSA-N 318.443 -0.369 50 20 DBGD O=C(/C=C\c1cccnc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319301170 CWTBGAJEECIOJP-DLRQAJBASA-N 309.347 -0.323 50 20 DBGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)CCO 1321357007 DNSNZNOEMJOTET-UHFFFAOYSA-N 305.290 -0.833 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cncc(F)c1 1322435749 DWKNXTCGDBHNPG-UHFFFAOYSA-N 304.303 -0.945 50 20 DBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cnn[nH]2)n1 1341986273 DMMJIKGBFVYLQM-UHFFFAOYSA-N 324.322 -0.883 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1cccn2c(O)nnc12 1342037259 RQPMULRCAHNWMW-UHFFFAOYSA-N 312.289 -0.166 50 20 DBGD COC[C@H](CNC(=O)NNc1ccc(-c2nn[nH]n2)cn1)OC 1591375144 BBXOQYDSGLDXPV-VIFPVBQESA-N 322.329 -0.451 50 20 DBGD O=C(CSc1ccncc1-c1nn[nH]n1)NNC(=O)C1CC1 1592905152 HLSKCOGDKWGSPE-UHFFFAOYSA-N 319.350 -0.089 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(C(=O)O)c1 1593353548 ZSNHFZVNUZYUGE-ZETCQYMHSA-N 301.324 -0.234 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1593414645 SKTODFCPXKWQMW-SECBINFHSA-N 302.298 -0.674 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc2cccnc12 1601635091 AQTNQWDACCAGOQ-UHFFFAOYSA-N 302.246 -0.595 50 20 DBGD O=C(C[C@H]1COC(=O)C1)NNc1ccc(-c2nn[nH]n2)cn1 1606507214 KCHCJXICIYEUAK-SSDOTTSWSA-N 303.282 -0.342 50 20 DBGD C[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@]1(C)C(=O)O 1607475116 UIFHAPPOOHFXGE-RTHLEPHNSA-N 309.102 -0.312 50 20 DBGD C[C@@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1795951519 FXAHRYAILSRPFK-SVNGYHJRSA-N 317.817 -0.181 50 20 DBGD Cc1ccc(O)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 264129208 MILLTSXIZDKFGB-MRVPVSSYSA-N 315.351 -0.601 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)on1 273366207 DJSADXRYPZDBAV-ZETCQYMHSA-N 318.355 -0.503 50 20 DBGD CN1CC[C@]2(CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)C1 584991728 GRFHNDLMVNLDAS-HNNXBMFYSA-N 306.146 -0.327 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)COc2ccccc2O)CN1 730781034 CQFDPRWMWXNNNY-VIFPVBQESA-N 307.306 -0.555 50 20 DBGD CCOCCS(=O)(=O)NNC(=O)COc1ccccc1O 730814110 QTCHBIZBWPZGGW-UHFFFAOYSA-N 318.351 -0.242 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccco1 746769950 IPVFNARZYHSMMV-SECBINFHSA-N 310.310 -0.424 50 20 DBGD O=C(NNC(=O)C(C1CC1)C1CC1)N[C@@H]1CCS(=O)(=O)C1 753481397 KLLKSKCQJFWDRJ-SNVBAGLBSA-N 315.395 -0.060 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 755285339 PXWJQKBOEMHWCG-UHFFFAOYSA-N 313.273 -0.703 50 20 DBGD C[C@@H](Oc1cccnc1)C(=O)NNc1ccc(C(N)=O)nn1 757403210 XFQJSCXILDBWND-MRVPVSSYSA-N 302.294 -0.119 50 20 DBGD COCc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)o1 764685560 ANXKESBWGUTDGI-QMMMGPOBSA-N 303.340 -0.186 50 20 DBGD CCOC(=O)[C@@](C)(O)CNS(=O)(=O)CBr 767850950 SHEFRQGQUIGRAC-ZETCQYMHSA-N 304.162 -0.428 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CCN(C)C1=O 776124122 ZXBZGZJSUOKCTF-NSHDSACASA-N 305.334 -0.137 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2cc(Cl)ccn2)C1=O 778452926 DXHTYINGJUAGPW-UHFFFAOYSA-N 311.685 -0.401 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)c1ccc(OC)c(OC)c1 780847995 FQILJYGSQBPWCF-UHFFFAOYSA-N 309.322 -0.009 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C[C@H](C)O)[C@H](C)CO)cc1 785537493 PXWLGITYLAOYNL-OLZOCXBDSA-N 323.393 -0.180 50 20 DBGD COc1ccc(C(=O)NNC(=O)c2ncn(C)n2)c(OC)c1 810356130 OEFNWQWGPHKBQJ-UHFFFAOYSA-N 305.294 -0.093 50 20 DBGD COc1ccc(NC(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 814998032 QCIZHXRZTQTAHZ-UHFFFAOYSA-N 305.250 -0.461 50 20 DBGD O=C(NN=C1CNC(=O)c2ccccc21)C(=O)N1CCCC1 817325882 HQVYITOQGHQXJJ-UHFFFAOYSA-N 300.318 -0.127 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNc1cccc(C#N)c1 821141509 QLJZXZBTCBMJDN-VXGBXAGGSA-N 324.362 -0.004 50 20 DBGD O=C(NNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 826444739 SAEQIEOSQWDOLL-JTQLQIEISA-N 302.294 -0.543 50 20 DBGD O=C(NNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1)C(=O)N1CCCC1 833148896 AMMPUOBTAQSBFT-ZJUUUORDSA-N 311.338 -0.353 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@H]2CCCNC2=O)n1 838779823 RQWDCOOVVQULLT-SECBINFHSA-N 308.342 -0.054 50 20 DBGD COCCCNC(=O)NNC(=O)c1cnn(CCCOC)c1 858783244 QVLVKBXCQJSKLM-UHFFFAOYSA-N 313.358 -0.100 50 20 DBGD C[C@@H](NNC(=O)c1cc(S(N)(=O)=O)cn1C)C(F)(F)F 862307102 SYZWXKLUQUEMIQ-RXMQYKEDSA-N 314.289 -0.142 50 20 DBGD COc1cccc(OCCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862458836 DWYPELQYEIXHCG-GFCCVEGCSA-N 321.333 -0.110 50 20 DBGD Cc1ccc(C#N)cc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863412089 GXQBXHSCYUVOEQ-SNVBAGLBSA-N 322.346 -0.545 50 20 DBGD CN(C)C(=O)NNC(=O)Cn1ccc(Br)cc1=O 865047666 VHAQRBROHZUXDO-UHFFFAOYSA-N 317.143 -0.087 50 20 DBGD CN(C)CCc1cn(CC(=O)NNC(=O)c2cccs2)nn1 880999486 NTWRQSYPIKPCPO-UHFFFAOYSA-N 322.394 -0.095 50 20 DBGD C[C@]1(C(=O)N(CCO)CCOCCO)C[C@@H]1Br 912771054 QRZHFMGPTHIPGD-ONGXEEELSA-N 310.188 -0.010 50 20 DBGD CN(CCCNC(=O)NNc1ccccn1)S(C)(=O)=O 916580432 YOCZVDTZQSFANZ-UHFFFAOYSA-N 301.372 -0.011 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](C)CO[C@@H]1CCOC1 1118122650 BVEPJQBGSJNVNL-KXNHARMFSA-N 315.370 -0.064 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cn(C2CC2)nn1 1118911378 XWMYMPAWCNCPNC-UHFFFAOYSA-N 324.341 -0.101 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC[C@H]2C[C@@H](C)CN2C1 1263702061 AFXRCNPMKOQHLG-WOPDTQHZSA-N 310.398 -0.221 50 20 DBGD Cn1ccnc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1318249497 VTQXKTGXPKDCGD-LLVKDONJSA-N 301.372 -0.699 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 1318528314 RMWGCMKLSNGVAO-UHFFFAOYSA-N 321.380 -0.647 50 20 DBGD CN(NC(=O)c1c[nH]n2c1nc(=O)c1ccccc12)C(N)=O 1320006820 YYRTZYSXYJZUJO-UHFFFAOYSA-N 300.278 -0.169 50 20 DBGD COC(=O)CCc1csc(NC(=O)NNC(=O)CCO)n1 1321215412 PTSFWDVWVQZYFX-UHFFFAOYSA-N 316.339 -0.216 50 20 DBGD C#CCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1321555276 UQYWZHJOPIETOD-UHFFFAOYSA-N 302.338 -0.343 50 20 DBGD COC(=O)N(C)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 1323787519 SOCUSXMMIFSAKM-SNVBAGLBSA-N 323.353 -0.075 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1n[nH]c(O)n1 1330446432 YYZUCRLWHQJAGV-UHFFFAOYSA-N 301.266 -0.838 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1N(C)CCCC1(C)C 1344116795 MLSNVTSSCAKOBL-SECBINFHSA-N 300.359 -0.390 50 20 DBGD CS(=O)(=O)CCC(=O)NNc1ccc(-n2ccnc2)nn1 1346624521 XMSIPHGBVRXFAA-UHFFFAOYSA-N 310.339 -0.460 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(-c2ccoc2)n1 1348478378 IHWKDIWYWJJTRC-SNVBAGLBSA-N 317.305 -0.280 50 20 DBGD CN(NC(=O)c1nnn([C@@H]2CCNC2)c1C(F)F)C(N)=O 1578505940 CODIOVJFXZLASB-RXMQYKEDSA-N 303.273 -0.595 50 20 DBGD CN1C(=O)CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591164303 POBOEOYVKQXFGI-VIFPVBQESA-N 316.325 -0.284 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 1593908244 GEJLXXAGTHATMW-XVKPBYJWSA-N 314.269 -0.160 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC(=O)N(c2ccccc2)C1 1601553144 VKIBNRKBYLESIF-MRVPVSSYSA-N 306.278 -0.793 50 20 DBGD O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(B(O)O)cc1)C2 1601787389 XVHVBGSGKMHHPG-OASPWFOLSA-N 303.123 -0.308 50 20 DBGD CO[C@@](C)(C(=O)O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 1604464458 RWUYMNVXFRYJHB-GFCCVEGCSA-N 311.250 -0.155 50 20 DBGD O=C(O)CNC(=O)NN=Cc1cnc(C2OCCO2)s1 1610783790 RQGFHQFNSSDEKN-UHFFFAOYSA-N 300.296 -0.094 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 64354257 BLDNOLQSLKBMMF-UHFFFAOYSA-N 321.297 -0.099 50 20 DBGD CCN(CC)S(=O)(=O)NNC(=O)COc1ccccc1O 264593175 LWNSPRADAYYMMB-UHFFFAOYSA-N 317.367 -0.022 50 20 DBGD Cc1cnccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273411004 HWMVKMVYZAXQOW-QMMMGPOBSA-N 315.355 -0.520 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(C)(C)S(=O)(=O)C2CC2)[nH]n1 285578187 KILDJFFXTAXJBN-UHFFFAOYSA-N 314.367 -0.165 50 20 DBGD O=C(NCCc1nncn1C1CC1)c1ccc(B(O)O)c(F)c1 584942332 SFLSJLORTFAQHI-UHFFFAOYSA-N 318.117 -0.596 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCSC[C@H]1CCO 584965324 QHHRJDKCMXUDFQ-SNVBAGLBSA-N 313.159 -0.555 50 20 DBGD CC(C)(CCNC(=O)c1ccc(B(O)O)cc1)S(C)(=O)=O 585002391 UBXQTYYHQFIUEZ-UHFFFAOYSA-N 313.184 -0.691 50 20 DBGD CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cccc(B(O)O)c2)C1 585028645 MKXSQZOBSJUBST-UONOGXRCSA-N 311.212 -0.188 50 20 DBGD COc1cc(OC)cc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)c1 585059856 DHCUNHMXSGPTEX-VIFPVBQESA-N 322.126 -0.815 50 20 DBGD COC[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C1CC1 750442632 ILYPKPUBSDGOIG-PWSUYJOCSA-N 305.400 -0.208 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccoc1 758029762 NVQFITHCSVAFOC-MRVPVSSYSA-N 303.340 -0.703 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc[nH]1 761119117 HRFZMBKBIDOOOZ-UHFFFAOYSA-N 302.356 -0.505 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@]1(CO)CCOC1 763885395 KXWDFJDELFRPPK-BXUZGUMPSA-N 301.387 -0.348 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(Cn2cccn2)c1 764428876 MBIDBBFEYOQLJL-UHFFFAOYSA-N 317.305 -0.990 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCCc2c[nH]nc21 767227821 XDBLTYOPUAGEMC-SNVBAGLBSA-N 320.353 -0.260 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H](C)N1CCN(C)CC1 770241118 UUEQRDDIFOSTIF-JTQLQIEISA-N 319.500 -0.519 50 20 DBGD CCC(C)(C)N[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 777136757 AMDBKBKAEZJISH-IUCAKERBSA-N 322.431 -0.762 50 20 DBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)C2CCC2)cn1 782579268 JQKBYOBPSZPGNY-UHFFFAOYSA-N 308.342 -0.076 50 20 DBGD CCc1ccccc1NC(=O)C(=O)NNC(=O)C(=O)NC1CC1 782967651 VPTNWHAYYIXSCM-UHFFFAOYSA-N 318.333 -0.387 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801109813 DJVOSNMXBSVYCO-UHFFFAOYSA-N 306.322 -0.393 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)C1(n2cnnn2)CC1 826938114 ZTHPWNCRKHYCNU-UHFFFAOYSA-N 304.285 -0.309 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC(=O)N1 831763946 PYLKCZFKLFOPJN-SNVBAGLBSA-N 315.333 -0.860 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@@H]1CCCC(=O)N1 854285436 KREJRJYGQFCECW-JTQLQIEISA-N 316.427 -0.081 50 20 DBGD COc1cccc([C@@H](O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862458116 XORROXUGZLXGHK-ZYHUDNBSSA-N 307.306 -0.845 50 20 DBGD CC(C)Nc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1 862458553 GNDRLMXSGVWWQB-SNVBAGLBSA-N 305.338 -0.059 50 20 DBGD Cc1ccsc1S(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863414243 YGTNSNVLNWRTLA-SSDOTTSWSA-N 303.365 -0.355 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 863865000 DVWFXLNLSSFGLY-UHFFFAOYSA-N 306.322 -0.636 50 20 DBGD Cn1ccc(=O)n(CCCNS(=O)(=O)CCCCl)c1=O 918323736 XRRGZDZGXPTXBJ-UHFFFAOYSA-N 323.802 -0.515 50 20 DBGD COC1(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CCOCC1 1118185548 GEFAFXWOXWVOQC-QWRGUYRKSA-N 315.370 -0.063 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1118208163 BSOCQFOEILCFMV-NXEZZACHSA-N 323.353 -0.499 50 20 DBGD COC(=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 1252481293 FRRTUTLKAFJITC-UHFFFAOYSA-N 315.307 -0.584 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)CC(F)(F)F 1318482466 AJVRZQNUIHXLJG-YFKPBYRVSA-N 305.278 -0.298 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)C(=O)Nc1ccccn1)C(C)C 1322516024 KZTAJFIEICVQDX-LLVKDONJSA-N 321.337 -0.672 50 20 DBGD CCN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)NC)c1 1323394047 DHNFGQWUUPJJQY-UHFFFAOYSA-N 314.367 -0.099 50 20 DBGD C#CCCCC(=O)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1 1333573282 GDYUCPVQIBYSHC-SNVBAGLBSA-N 318.420 -0.142 50 20 DBGD O=C(c1ccc(N2CCNC2=O)cc1)N1CC[C@@H](B(O)O)C1 1335434952 ZQCCVHWZIAXNJH-LLVKDONJSA-N 303.127 -0.095 50 20 DBGD Cn1cnc(S(=O)(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1 1338193366 CMWGROAQRNJYHW-UHFFFAOYSA-N 324.366 -0.355 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1345724569 ZPHXIYIINJNVOF-ZJUUUORDSA-N 300.359 -0.486 50 20 DBGD O=C(NCCCN1CCCCC1=O)NNC(=O)c1cn[nH]c1 1348098498 JYXMXVUACNQHSS-UHFFFAOYSA-N 308.342 -0.244 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cccnc1F 1349154649 WZXJBYVWQHWCRA-JGVFFNPUSA-N 310.285 -0.268 50 20 DBGD COCCN1C(=O)c2ccc(C(=O)N(C)N)cc2S1(=O)=O 1573985356 BMEGIBHRMHBLHO-UHFFFAOYSA-N 313.335 -0.577 50 20 DBGD O=C(NC[C@@H]1Cc2ccccc2CN1)NNC(=O)c1ncon1 1580670376 FKYDUWGVKUPBFO-NSHDSACASA-N 316.321 -0.272 50 20 DBGD CCOCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1590799040 HJHGSOQOQNUETP-UHFFFAOYSA-N 320.309 -0.571 50 20 DBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)c2cccnc2)n1 1600936177 GEALBFXHSLTATA-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD C[C@@H](O)C[C@@H](CNC(=O)NNC(=O)C(=O)O)c1ccccc1 1604383687 OKULSTBUWLIFHJ-KOLCDFICSA-N 309.322 -0.044 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cccc(OCC(=O)O)c1 1606017741 LXLOVLHGIVHLHG-UHFFFAOYSA-N 310.310 -0.136 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1609701322 ZEAXEZPRGWMYNX-ZETCQYMHSA-N 318.289 -0.585 50 20 DBGD CN1CCO[C@H](C(=O)NNc2nccc(N3CCOCC3)n2)C1 268643321 RYHUDWFDRXRIQL-NSHDSACASA-N 322.369 -0.913 50 20 DBGD COc1cc(CC(=O)NNC(=O)CN(C)C)cc(OC)c1O 280428466 IWNMAODUGSUSGG-UHFFFAOYSA-N 311.338 -0.339 50 20 DBGD CCOc1ccc(NNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 294226054 FLSUITAARDSWSG-UHFFFAOYSA-N 320.305 -0.051 50 20 DBGD CCC(=O)N1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584932566 PBSDNLTWUUIOQX-UHFFFAOYSA-N 322.145 -0.410 50 20 DBGD CCn1nnc(C)c1CNC(=O)c1ccc(B(O)O)c(F)c1 585001367 VNXXXTNIKPTZOB-UHFFFAOYSA-N 306.106 -0.645 50 20 DBGD CCN(CCCNCc1ccccc1B(O)O)S(C)(=O)=O 585016881 COXSSHBNEIZMJV-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD OB(O)c1ccc(CNCc2cccnc2N2CCOCC2)o1 585018505 WWELIJQQBDBKDV-UHFFFAOYSA-N 317.154 -0.519 50 20 DBGD C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(B(O)O)o1 585022896 CFTBBPKHEIEYFZ-YUELXQCFSA-N 322.214 -0.062 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C1=COCCO1 746549626 DCAAGPWBYAIXDT-UHFFFAOYSA-N 302.290 -0.088 50 20 DBGD O=C(NNC(=O)c1cccc2nc(O)oc12)C(=O)N1CCCC1 751803313 MDMANUWNQXNATQ-UHFFFAOYSA-N 318.289 -0.083 50 20 DBGD O=C(CO)NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 753452226 MFCOLIDKVJIAQO-UHFFFAOYSA-N 306.253 -0.875 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cncc(F)c1 763825105 VHLJSEPNBQJISY-UHFFFAOYSA-N 317.280 -0.193 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1ccncc1)[C@@H]1CN(C)CCO1 770115769 BOVSYNHYWJOXLF-AAEUAGOBSA-N 321.381 -0.326 50 20 DBGD COC(=O)CCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 777438358 VLSUTPDMXCPRKP-JTQLQIEISA-N 306.384 -0.178 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccccc1OCC(=O)O 779825886 BEBJJJQOWMEKPR-UHFFFAOYSA-N 309.278 -0.044 50 20 DBGD CN1CCN(c2ncc(C=NNC(=O)C(C)(C)O)cn2)CC1 785460951 PLKFZOKAKPZJLH-UHFFFAOYSA-N 306.370 -0.551 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)NCC2CC2)cc1OC 788491199 CRGARMLNSIQACN-UHFFFAOYSA-N 321.333 -0.009 50 20 DBGD C[C@@H]1CCNC(=O)[C@H]1NCC(=O)NNC(=O)c1cccs1 799346213 ZDYPYCOCIQFFHV-KCJUWKMLSA-N 310.379 -0.377 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 801107409 VWPDCQWIFYQJAT-CQSZACIVSA-N 309.322 -0.522 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc(C3CC3)n(C)n2)CC1 807379665 ASOQJEOUCWRNKY-UHFFFAOYSA-N 306.370 -0.101 50 20 DBGD CCOCC(=O)NN=Cc1ccc(F)c(S(N)(=O)=O)c1 807972212 JDBITKZVZMNQDQ-UHFFFAOYSA-N 303.315 -0.040 50 20 DBGD C[C@@H]1C[C@@H](C(=O)O)CCC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 814835002 DOEYKNKEPHDSBE-HLTSFMKQSA-N 319.383 -0.083 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cccn1C 816823972 LXJLGYGZGHGENP-MRVPVSSYSA-N 302.356 -0.886 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CNCCO1 842012596 ZSNGHEOEFZNIHL-CYBMUJFWSA-N 322.365 -0.226 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2cccc(F)n2)nn1 856423188 NEUCNMGPKRUYNS-SSDOTTSWSA-N 308.273 -0.673 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 858122295 RZFPLESSUBJNJH-LBPRGKRZSA-N 307.306 -0.053 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)N1 858300287 HCOILZVDWPVSPD-ZDCRXTMVSA-N 310.354 -0.447 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccc3c(c2)COC3)N1 858306956 WYXJUMHWWPTWBV-GFCCVEGCSA-N 318.333 -0.174 50 20 DBGD COC(=O)c1cccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862458141 YEOUJXBATHQEEQ-LLVKDONJSA-N 319.317 -0.558 50 20 DBGD COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 926519388 LHJLRFNQCJEWOV-SCZZXKLOSA-N 309.102 -0.423 50 20 DBGD Cc1oc2ncnc(O)c2c1C(=O)NNC(=O)N1CCOCC1 1115910402 GYTRLUJNMUAILD-UHFFFAOYSA-N 321.293 -0.077 50 20 DBGD C[C@]1(CCCC(=O)NNC(=O)c2cccnc2)NC(=O)NC1=O 1116325347 BVNGPYJDKUFLON-CQSZACIVSA-N 319.321 -0.389 50 20 DBGD O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 1118982035 HDCXSSGVULEFHL-GFCCVEGCSA-N 316.166 -0.503 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)n1cccn1 1251156191 QHIJESJNQYTZNJ-BDAKNGLRSA-N 300.340 -0.974 50 20 DBGD C[C@H](NCC(=O)NNC(=O)c1cccs1)c1nncn1C 1255273039 PZBZCNKFILXNIE-QMMMGPOBSA-N 308.367 -0.012 50 20 DBGD CCOC1CC(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 1255666386 YWAOMHHCEOXSBW-XNWIYYODSA-N 321.399 -0.723 50 20 DBGD Cc1nc([C@@H](C)NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)no1 1261104537 UPNSPHGWZLRKKT-RDDDGLTNSA-N 317.371 -0.180 50 20 DBGD CNC(=S)N(C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 1261744905 TVBVCECHCHSDDY-UHFFFAOYSA-N 322.456 -0.485 50 20 DBGD CCOc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cn1 1320139741 OBAKGLHIONFRKH-UHFFFAOYSA-N 323.334 -0.106 50 20 DBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1325506448 PBXHPJIUOQEVIL-UHFFFAOYSA-N 320.349 -0.154 50 20 DBGD COCCCOCCC(=O)NNc1nc(O)c2cnn(C)c2n1 1331317708 JKAGTIFIKVVRLF-UHFFFAOYSA-N 324.341 -0.045 50 20 DBGD Cn1ncc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cnc21 1331692258 WXGJPDUTWILUJZ-SECBINFHSA-N 302.294 -0.992 50 20 DBGD C[C@@H](NNC(=O)Cn1cc(S(N)(=O)=O)cn1)C(F)(F)F 1331792331 VLJBSRIZHWYPQF-RXMQYKEDSA-N 315.277 -0.898 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cccn2C)n1 1340431967 TYIRDVXFPZHHAI-UHFFFAOYSA-N 301.306 -0.146 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C2CCNCC2)c2ncnn21 1576617404 HGSLRFDHMPXLPI-WCBMZHEXSA-N 307.358 -0.386 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1OCC[C@H]1N 1578197596 DRIMNWAUUNYENL-YGRLFVJLSA-N 323.349 -0.272 50 20 DBGD C[C@H](C(=O)O)C(=O)NNC(=O)Cc1nc2ccccc2n1C 1588573335 BWIHVPWMJJGZNE-QMMMGPOBSA-N 304.306 -0.016 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 1589416138 ORVQGOUODFDLBI-MMWGEVLESA-N 314.338 -0.171 50 20 DBGD CO[C@H](C)CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591473137 AUEVGALZTQTVPK-MRVPVSSYSA-N 319.325 -0.154 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 1592220561 HSKSHPORPAFKCQ-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCSCC(=O)O 1604833196 BBEGZLAXBJAIEY-SFYZADRCSA-N 305.356 -0.440 50 20 DBGD Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)NN(C)C[C@H](C)O 1605510404 ROROCJBANFYLHN-ZETCQYMHSA-N 307.314 -0.767 50 20 DBGD O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)[C@@H]1CCC(=O)N1 1608316560 LNEPKRNNUNNHDM-NSHDSACASA-N 319.317 -0.257 50 20 DBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847443780 XEISJIIDPRJWQZ-UTLUCORTSA-N 304.774 -0.094 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CN2CSCC2=O)n1 8300654 LLAYTXLIFVXVIS-UHFFFAOYSA-N 311.367 -0.820 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)CN1C1CC1 127534278 UQYHQAYQHYCDEG-MWLCHTKSSA-N 306.370 -0.011 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)o1 176219535 JSWXKPSCSGQXDU-NSHDSACASA-N 322.365 -0.241 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)/C=C/c1ccnn1C 265901487 UZFFSBQKYPSSRG-VOTSOKGWSA-N 307.354 -0.115 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)N[C@H]1CC(=O)N(C)C1 267468411 BRJFVKJXCYRKAE-NSHDSACASA-N 320.349 -0.201 50 20 DBGD CC(C)(C)CC(=O)NCC(=O)NNc1ccc(C(N)=O)nn1 268301971 XEIWVXVHMNZXNN-UHFFFAOYSA-N 308.342 -0.429 50 20 DBGD COC(=O)CN(C)CC(=O)NNC(=O)Cc1ccccc1C 270256383 JMLZSEAXOQFHJA-UHFFFAOYSA-N 307.350 -0.210 50 20 DBGD COC(=O)[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1ccccc1 276601382 LMTHAMWMGNNMMY-NWDGAFQWSA-N 321.333 -0.944 50 20 DBGD CCOC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 495347571 LITPCMMNLKUNNV-SNVBAGLBSA-N 324.341 -0.405 50 20 DBGD CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(B(O)O)ccc1F 584973842 KGFOGFDXWOGYKZ-SNVBAGLBSA-N 323.051 -0.109 50 20 DBGD C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)CC[S@]1=O 584983367 QKCUVDOCGJIXJA-JLTPVHFHSA-N 313.159 -0.511 50 20 DBGD CC(C)(CN1CCOCC1)NC(=O)c1cc(B(O)O)ccc1F 584998519 AHWQFZXNJMWUJV-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD CC(C)c1nnc2n1C[C@@H](NCc1ccc(B(O)O)o1)CC2 585020499 ZGDOCWASJVJGLE-JTQLQIEISA-N 304.159 -0.221 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 726750811 WQWVQZFLWTUYEN-GFCCVEGCSA-N 321.333 -0.112 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=S)NCC(N)=O 727067487 KRPIFIGKJDQYSC-ZETCQYMHSA-N 314.342 -0.426 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCC(=O)N2)o1 735939164 KIIIQSLCFJBSIE-ZCFIWIBFSA-N 320.313 -0.300 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](COCCOC)C1 744416754 FYFXFFQOHYQMJQ-NEPJUHHUSA-N 301.387 -0.083 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCS1 758043185 FZSMXBYYPWJKNM-HTQZYQBOSA-N 309.413 -0.643 50 20 DBGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)CO)c1 764458308 GRNWSOQLLPZUDJ-UHFFFAOYSA-N 300.336 -0.838 50 20 DBGD CCOC(=O)[C@](C)(O)CNS(=O)(=O)CBr 767850856 SHEFRQGQUIGRAC-SSDOTTSWSA-N 304.162 -0.428 50 20 DBGD CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC=C(C#N)CC1 774913701 OXADVOQPHYMIPT-UHFFFAOYSA-N 321.424 -0.247 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)CCCN1CCN(C)CC1 778954429 WQDPHVABKBJNFU-CYBMUJFWSA-N 313.446 -0.498 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1nc(CC)cs1 789734190 FVZCDJNZDCBRSV-UHFFFAOYSA-N 300.340 -0.172 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 789871915 SAPOUCKUBWVAHG-UHFFFAOYSA-N 313.281 -0.836 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@H](CO)[C@H](O)C1 808750684 NDMDZWOGEIKNEE-QJPTWQEYSA-N 301.387 -0.757 50 20 DBGD CC(C)C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 814218402 CSBWAVPRKYAZLM-UHFFFAOYSA-N 304.306 -0.215 50 20 DBGD Nc1ncc2c(n1)CCCC2=NNC(=O)C(=O)N1CCCC1 814825001 UFDHXCFMQSIVQU-UHFFFAOYSA-N 302.338 -0.162 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F 820131275 BCUOAJPYHVNPBD-UHFFFAOYSA-N 319.300 -0.020 50 20 DBGD COC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCCC1 838630669 XBMAVMHHHHNZGR-UHFFFAOYSA-N 312.370 -0.102 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)CNC(C)=O 845255253 SMVSWGSPONQLOH-QMMMGPOBSA-N 301.343 -0.362 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCc2nnnn2CC1 846062554 HDDYSWUJFHKWFN-LURJTMIESA-N 321.263 -0.482 50 20 DBGD COC(=O)[C@H]1CNCCCN1S(=O)(=O)CBr 850588200 WRFYGQJZPBMPJR-SSDOTTSWSA-N 315.189 -0.495 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858602067 PLNYCDJPISWJIQ-NXEZZACHSA-N 311.386 -0.532 50 20 DBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCC(=O)N1)NC(=O)C1CCCC1 862451871 AWMRUJXAZKFXCJ-GXSJLCMTSA-N 324.381 -0.503 50 20 DBGD CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)CS(C)(=O)=O 863465757 FLULGVSHCVCFMC-VHSXEESVSA-N 308.400 -0.244 50 20 DBGD C[C@]1(CNC(=O)CN2CCNC(=O)C2)C[C@@H]1Br 864072870 NJJZJMHWCOKGSD-GZMMTYOYSA-N 304.188 -0.292 50 20 DBGD O=C(Cn1cc(CN2CCSCC2)nn1)NNC(=O)C1CC1 881292303 JFJDRDDVACSGTL-UHFFFAOYSA-N 324.410 -0.616 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H]1C(F)(F)F 912094958 WJIQQGSQXMZOFM-JTQLQIEISA-N 307.008 -0.134 50 20 DBGD CC(CS(C)(=O)=O)=NNC(=O)Cc1cc(O)nc(S)n1 1116042113 RIFAXAWANPEQHA-UHFFFAOYSA-N 318.380 -0.450 50 20 DBGD CC(C)(C)c1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)nn1 1261526839 XTEWATHWIXSSGX-MRVPVSSYSA-N 313.383 -0.091 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)C(=O)N1CCCC1 1318736372 IHEIWHOJLJJVPO-SECBINFHSA-N 305.338 -0.716 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)CC(F)(F)F)S(C)(=O)=O 1319468149 OMLXZFLLJUKQPS-YFKPBYRVSA-N 305.278 -0.298 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1cccc(S(C)(=O)=O)c1 1319971179 RMLMITYLBPLZEO-UHFFFAOYSA-N 321.380 -0.918 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nc[nH]n2)cc1)C(=O)NC1CC1 1320661861 UJWMCBAKVALFNK-UHFFFAOYSA-N 314.305 -0.489 50 20 DBGD Cn1cc2c(n1)CCC[C@H]2C(=O)NNc1ccc(C(N)=O)nn1 1321331028 AKQSIXKBHUTLAK-MRVPVSSYSA-N 315.337 -0.128 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCCC12CCOCC2 1322675849 UOJZZEBCLBFMKB-LLVKDONJSA-N 324.381 -0.055 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCS(C)(=O)=O 1332068501 FTEAKLBZDRPRJR-DTWKUNHWSA-N 307.372 -0.824 50 20 DBGD COc1coc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1=O 1339846560 NRHDBOUMDYMCAB-UHFFFAOYSA-N 309.278 -0.968 50 20 DBGD Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1349542882 LBOXDYNCGMCWOF-VIFPVBQESA-N 316.321 -0.614 50 20 DBGD CC[C@@H]1NCC[C@H]1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1577308836 PLVOKGCPHMVQOW-RDBSUJKOSA-N 324.425 -0.225 50 20 DBGD O=C(O)C[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 1594984601 OEBAALFFXDIITR-JTQLQIEISA-N 309.102 -0.025 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(C(=O)O)ccc1Cl 1601330066 JHURMIYUXZHHPK-UHFFFAOYSA-N 315.669 -0.884 50 20 DBGD O=C(NCc1noc(-c2cccs2)n1)NNC(=O)C(=O)O 1601551488 XPIDCIBHSJZTPR-UHFFFAOYSA-N 311.279 -0.287 50 20 DBGD CCO/C=C(\C#N)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1605617681 ACSCQTOEFQYPTP-QSLLUVDFSA-N 316.335 -0.566 50 20 DBGD CC[C@H](O)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609195622 VUDMCAGWDQSDQS-JTQLQIEISA-N 304.310 -0.211 50 20 DBGD O=C(NCCC(=O)OC1CCCCC1)NNC(=O)C(=O)O 1610691209 WOLVIOWCEHFNPX-UHFFFAOYSA-N 301.299 -0.333 50 20 DBGD O=C(NCCN1CCCc2ccccc21)NNC(=O)C(=O)O 1610692903 BXICMQOJKQSYKY-UHFFFAOYSA-N 306.322 -0.146 50 20 DBGD C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795510807 BMBNZRCMRSXSIR-HHKYUTTNSA-N 321.780 -0.295 50 20 DBGD NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1845992600 IQQPMRZVDLLJFV-SECBINFHSA-N 317.773 -0.945 50 20 DBGD O=C(c1nc[nH]n1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847560327 QDGAWNMWFHNIEW-XHNCKOQMSA-N 313.745 -0.780 50 20 DBGD CC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 48449548 SFDBZXBHVHJHTM-UHFFFAOYSA-N 305.381 -0.379 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 61088546 AOQZENCXXIRVPB-SNVBAGLBSA-N 324.381 -0.551 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCC(=O)N1CCCCC1 264070330 BBOARXRHIDKXIL-UHFFFAOYSA-N 319.365 -0.033 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CN(C)CCO2)cc1 266743490 AEYCLNRTFWKLSD-ZDUSSCGKSA-N 307.350 -0.148 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccc1 272511726 URIWYQFZCIMHKT-JOYOIKCWSA-N 305.334 -0.277 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CC[C@@](C)(C(N)=O)C2)n1 279694145 QESKRHAZSVVADL-CQSZACIVSA-N 305.338 -0.058 50 20 DBGD CC[C@H](C(=O)NNc1nccc(N2CCOCC2)n1)C(=O)OC 283250982 LJVGGZYWHSXONT-SNVBAGLBSA-N 323.353 -0.045 50 20 DBGD COCCN(C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 288534424 XCIMCTNAAHDMQZ-CYBMUJFWSA-N 319.365 -0.284 50 20 DBGD C[C@H](NC(=S)NNC(=O)CCn1cnccc1=O)C1CC1 292349480 DPFRWXFPEBPOII-VIFPVBQESA-N 309.395 -0.073 50 20 DBGD CCS[C@H]1CC[C@]1(O)CNC(=O)c1cccc(B(O)O)c1 584956701 GNUFNQTYYTVFIR-JSGCOSHPSA-N 309.196 -0.257 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)cc2)[C@H]2CCCC[C@@H]2N1 584958208 MQWFYUHPZVRUNT-STQMWFEESA-N 302.139 -0.750 50 20 DBGD CCC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1nn[nH]n1 584960985 PIACGTKKYMXAJD-SNVBAGLBSA-N 307.094 -0.710 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCS[C@@H]2COCC[C@@H]21 584965832 UIGGYBPVNRFLSD-QWHCGFSZSA-N 307.180 -0.287 50 20 DBGD CC(=O)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C(C)(C)C1 584970815 GQROOKUXIOCCEO-UHFFFAOYSA-N 322.145 -0.412 50 20 DBGD CC(C)OCC[C@H](C#N)NC(=O)c1ccc(B(O)O)c(F)c1 584975341 WAGSTPXKVCRLLL-LLVKDONJSA-N 308.118 -0.057 50 20 DBGD C[C@@H]1c2nncn2CCN1C(=O)c1ccc(B(O)O)c(F)c1 584980454 ACWHBVOWAXOGNZ-MRVPVSSYSA-N 304.090 -0.686 50 20 DBGD COCCO[C@H]1COCC[C@H]1NCc1cccc(B(O)O)c1 585036725 PNWNCUMUTSLERH-CABCVRRESA-N 309.171 -0.724 50 20 DBGD O=S(=O)(c1ccc2nc(O)oc2c1)N1CC[C@H](B(O)O)C1 585059045 XVDZSSHGCDPAIQ-ZETCQYMHSA-N 312.112 -0.229 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCC(N)=O 727067053 DNJJHUUWZKTSRR-ZETCQYMHSA-N 314.342 -0.426 50 20 DBGD CC(C)(C)n1cc(C(=O)C(=O)NNC(=O)N2CCOCC2)cn1 745985895 BALUWWGCXPPJST-UHFFFAOYSA-N 323.353 -0.106 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCOC1CCC1 748637446 RBDHEMYCBOERCF-JTQLQIEISA-N 303.359 -0.063 50 20 DBGD O=C(CCn1ccnn1)NNC(=O)CNC(=O)c1cccs1 751209572 SAYXWLAKTMYLLC-UHFFFAOYSA-N 322.350 -0.693 50 20 DBGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(C)=O)cc1 753945594 IQDHLKZHQRYMLS-UHFFFAOYSA-N 308.294 -0.238 50 20 DBGD COC(=O)c1ccc(NNC(=O)CCNS(C)(=O)=O)nc1 759734524 JGHYHZRIZJUTRB-UHFFFAOYSA-N 316.339 -0.749 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)o2)n[nH]1 765588477 PYCBXXZTSIVVKE-UHFFFAOYSA-N 312.307 -0.211 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN2C(=O)CC[C@@H]2C1 766268664 FRNYCLQIQPKPQE-VXGBXAGGSA-N 310.398 -0.125 50 20 DBGD CC(C)C(=O)NCCN(C)CC(=O)NNC(=O)C(C)(C)C 767767782 FNQSGXMRFOVVGI-UHFFFAOYSA-N 300.403 -0.116 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](CO)O[C@H](C)C1 787320211 DTSBYSOCWORMAZ-WOPDTQHZSA-N 301.387 -0.350 50 20 DBGD CN1CCN(CCNC(=O)NNC(=O)c2ccc[nH]2)CC1(C)C 799681567 WXWPZUPDNGEAOB-UHFFFAOYSA-N 322.413 -0.015 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)Nc2ccccc2)nn1 801986775 UPAWCMXGKJHFLL-UHFFFAOYSA-N 318.293 -0.082 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccnc1F 807082201 NPLQSSCBKLYCHF-UHFFFAOYSA-N 317.280 -0.193 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 807370488 KIDUBBQVYGAMOW-UHFFFAOYSA-N 315.286 -0.132 50 20 DBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)[C@@H](C)NS(C)(=O)=O 811641665 KUWFFRPWOHAQSF-RKDXNWHRSA-N 304.372 -0.915 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 824449246 MYLSJECVDCKNMB-QMMMGPOBSA-N 324.366 -0.010 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)N1CCCCC1 825709900 VMAJPOIGBDJMLR-MNOVXSKESA-N 312.370 -0.246 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)[C@@H]1CCO[C@H]1C 843276358 BJUKXRYBZODCCD-DTWKUNHWSA-N 303.384 -0.140 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCN1C(=O)CCC1=O 843642684 GHAYSZRQURFEAM-UWVGGRQHSA-N 311.338 -0.512 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c1 847286636 WMBVMRKINLUJMJ-RYUDHWBXSA-N 321.333 -0.024 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccc2nc(O)[nH]c12 847402893 NGGQXZZZOVJRDW-UHFFFAOYSA-N 305.294 -0.045 50 20 DBGD O=C(NNS(=O)(=O)N1CCCOCC1)c1cccc(F)n1 853050618 JZZRIXRWSHVQJS-UHFFFAOYSA-N 318.330 -0.578 50 20 DBGD C[C@H]1[C@@H](C)N(C(=O)NNC(=O)c2cn[nH]c2)CCS1(=O)=O 858704303 HENXOBVGQMZUFR-SFYZADRCSA-N 315.355 -0.729 50 20 DBGD CCC[C@@H](OCC)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 863865568 GJMHYOIENJYAKZ-DTWKUNHWSA-N 309.388 -0.723 50 20 DBGD COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cccc(B(O)O)c1 863877625 BIPXWLHLHGIJQQ-STQMWFEESA-N 321.138 -0.841 50 20 DBGD C[C@]1(CNC(=O)CN2CCNC(=O)C2)C[C@H]1Br 864072887 NJJZJMHWCOKGSD-LDYMZIIASA-N 304.188 -0.292 50 20 DBGD O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(B(O)O)ccc1F 865605722 YTCFVMQGYKGFQF-GFCCVEGCSA-N 306.146 -0.280 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@@H](C)CN2CCOCC2)n[nH]1 869014667 JEVZSICFXAEKIN-JTQLQIEISA-N 309.370 -0.624 50 20 DBGD CN1CC[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 1115832423 PNTPFGOCXQDVLF-WDEREUQCSA-N 317.411 -0.653 50 20 DBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(C)C)c1 1323941196 OLAYWQWESWCDRL-UHFFFAOYSA-N 306.322 -0.212 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNc1nc(O)c2cnn(C)c2n1 1324798958 NBMGXOCOYUPIDQ-SSDOTTSWSA-N 305.298 -0.867 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCCS(C)(=O)=O 1328143055 MTHVEDLQWVVYSP-ZJUUUORDSA-N 321.399 -0.433 50 20 DBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1338010203 GUPURSTVNXNHOW-MRVPVSSYSA-N 309.370 -0.188 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CC12CCNCC2 1347742488 VVJBHIYDLIDYBA-JTQLQIEISA-N 309.370 -0.919 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CNC[C@@H]12 1575106896 XQLJSGMMMWTFRS-KXUCPTDWSA-N 317.411 -0.797 50 20 DBGD COc1cc(O)ncc1C(=O)NN(C)C(=O)N1CCNCC1 1579138659 QLNBIUSXFCOILQ-UHFFFAOYSA-N 309.326 -0.602 50 20 DBGD O=C(NNC(=O)[C@]1(C(=O)O)CCCO1)c1cccc([N+](=O)[O-])c1 1594783242 XEXUFILCDYKGKI-ZDUSSCGKSA-N 323.261 -0.010 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1cccc(F)c1C(=O)O 1601307050 TVZUDVFAHNTVNM-UHFFFAOYSA-N 324.268 -0.091 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)N1CCc2ccccc2C1 1609746544 PCQQKVNZQJEYIO-JTQLQIEISA-N 320.349 -0.152 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 8390734 LJCJOUORBRRUCV-UHFFFAOYSA-N 307.306 -0.241 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 25259847 HPTFZSYFQWKEHG-QMMMGPOBSA-N 305.294 -0.859 50 20 DBGD COCCN(CC(=O)N(C)C)S(=O)(=O)CCCCl 37842655 YHITVUCDHDWBOK-UHFFFAOYSA-N 300.808 -0.018 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)nc1 63093901 SIPHHVHEXNAGAV-ZCFIWIBFSA-N 320.758 -0.566 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(C)cc1O 270706395 KJDSAWFQJRYFBG-UHFFFAOYSA-N 315.351 -0.599 50 20 DBGD CC(C)OC(=O)CCCNC(=O)NNC(=O)C(=O)NC1CC1 274231621 SRIRFRHCYOGQNJ-UHFFFAOYSA-N 314.342 -0.673 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)c2cccc(B(O)O)c2)[C@]12CCCO2 584975706 NDVJTEANCWTZNG-SQWLQELKSA-N 319.166 -0.177 50 20 DBGD Cn1cc(/C=C\C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 751205227 ZWEZHTWPKGHQCF-PLNGDYQASA-N 317.305 -0.396 50 20 DBGD C=C(C)[C@@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)OCC 755425559 MZRUKAJENOXVTL-WDEREUQCSA-N 318.395 -0.060 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cnn(C)c1Br 760240837 DEHZROCRGPRYMO-UHFFFAOYSA-N 304.148 -0.495 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](NC(=O)NC2CC2)C1 760907551 NEOPQXQNVNBQGC-ONGXEEELSA-N 311.386 -0.532 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 764300693 VXLZEZWXNHCUHB-UHFFFAOYSA-N 310.697 -0.056 50 20 DBGD CC[C@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764422421 YXDPHUZEVMZKPD-VIFPVBQESA-N 309.322 -0.058 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)NC1CC1 770891658 HSFQCBLYVRANSI-MRVPVSSYSA-N 306.388 -0.557 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCN(C)C(=O)OC 772092602 SGLRIEQVCPEMQV-VIFPVBQESA-N 317.342 -0.046 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1ccc(C)cc1=O 773703952 RMBRIJKNKYHPNU-JTQLQIEISA-N 309.322 -0.354 50 20 DBGD CC(C)CC(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 801068870 LRYHFOUSXMSZGX-UHFFFAOYSA-N 306.388 -0.557 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCN1CCCC1=O 807371461 MZEDQZACWXUKRR-UHFFFAOYSA-N 315.370 -0.065 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cn1)NNc1ncccn1 826414439 VZWZMPJXBUEWGI-UHFFFAOYSA-N 312.297 -0.393 50 20 DBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826810032 SCDLLPDORYMWLO-NXEZZACHSA-N 321.399 -0.435 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1C 843641271 FWRGVQOBUJSLNR-ZJUUUORDSA-N 308.338 -0.417 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cncc(-n2ccnn2)c1 843655524 MQXPGAUEASFZKL-JOYOIKCWSA-N 316.321 -0.152 50 20 DBGD CCNC(=O)N(C)NC(=O)C1=C(C)N(C)c2nnnn2[C@H]1C 847687693 TXOHCYFWHDKPFA-QMMMGPOBSA-N 308.346 -0.350 50 20 DBGD CC(=O)NCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855829045 POHRWVWZENSPRA-UHFFFAOYSA-N 300.359 -0.788 50 20 DBGD CCC[C@H](C(=O)NNC(=O)OCC(F)(F)F)S(N)(=O)=O 856019592 YDZCXCCUAARJJK-RXMQYKEDSA-N 321.277 -0.237 50 20 DBGD COCc1ccccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858128253 GRSPMXMNKPVZJB-GFCCVEGCSA-N 320.349 -0.058 50 20 DBGD Cc1[nH]c(C(=O)NNC(=O)C(=O)N2CCCC2)c(C)c1C=O 858935791 OUGOWZFRELFTFS-UHFFFAOYSA-N 306.322 -0.173 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452021 IQZXMBUBXXSRIL-NXEZZACHSA-N 310.354 -0.797 50 20 DBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)c2cn[nH]c2)CC1 862472238 IWPQHYXOYYFFTI-UHFFFAOYSA-N 300.340 -0.614 50 20 DBGD Cc1c(C(=O)NNC(=O)CS(C)(=O)=O)cnn1CC(C)C 863463968 BCVBCUCTICXSRL-UHFFFAOYSA-N 316.383 -0.347 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 910162947 LTJVBTOZCZLOKR-ZWNOBZJWSA-N 319.361 -0.151 50 20 DBGD O=C(NNc1cncc(Cl)n1)N[C@H]1CCS(=O)(=O)C1 915880206 AGMBAEMSMVTASP-LURJTMIESA-N 305.747 -0.057 50 20 DBGD CC[C@H](CN1CCOCC1)NC(=O)c1ccc(B(O)O)cc1 928636650 TVBHVCRFZGESSI-CQSZACIVSA-N 306.171 -0.793 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNc2cccnn2)cc1 1116545430 GNVXMBGEQMIVCO-UHFFFAOYSA-N 307.335 -0.190 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 1116598977 XLZZQVINJCCCGI-UHFFFAOYSA-N 305.294 0.000 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1118126966 XNMLZEXWTJJJHL-NOOOWODRSA-N 315.370 -0.064 50 20 DBGD O=C(NC[C@H]1CCCCS1(=O)=O)NNC(=O)c1ccc[nH]1 1320365961 VXNNKPQGKMVRKL-SECBINFHSA-N 314.367 -0.074 50 20 DBGD CN(C[C@H]1CCOC1)C(=O)NNC(=O)CNC(=O)c1ccco1 1322351147 YCSBRYURZZBIGB-SNVBAGLBSA-N 324.337 -0.282 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CO[C@H]1CCOC1 1324107739 OSNRADGTSJURCY-QWRGUYRKSA-N 316.354 -0.083 50 20 DBGD Cc1nc(C(=O)NNC(=O)CN2CCCC2=O)ccc1C#N 1339725072 ZXLAKPMIGFTONE-UHFFFAOYSA-N 301.306 -0.355 50 20 DBGD O=C(NNC(=O)C1CCNCC1)c1cc2n(n1)CCCC2=O 1580736277 QUTPQKXGEFJXNJ-UHFFFAOYSA-N 305.338 -0.380 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 1591212410 PYEYCTSNBZIXPI-UHFFFAOYSA-N 311.327 -0.703 50 20 DBGD NC(=O)NCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 1592731526 CCJAADHSZRFQQV-UHFFFAOYSA-N 310.705 -0.369 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1594646755 ZXQDDAHKVFXXST-XWLWVQCSSA-N 314.338 -0.029 50 20 DBGD O=C(O)c1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)c(F)c1 1602384360 FVIIYAAOGKOJDF-VIFPVBQESA-N 317.298 -0.341 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)CC(C)(C)C(=O)O 1604834718 MCTKENYAUWMVOA-HTQZYQBOSA-N 308.356 -0.527 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CCC(=O)O)cc1 1611295829 LDBFYQOYXQUGKW-UHFFFAOYSA-N 319.273 -0.273 50 20 DBGD CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835199758 JBNAAUQAGBYYAC-CMPLNLGQSA-N 308.737 -0.003 50 20 DBGD C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1845178070 QSLOOQFJAHFJCM-IUCAKERBSA-N 305.737 -0.141 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O 67434196 RPYLDQRLHDPMEJ-MRVPVSSYSA-N 300.336 -0.111 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 263847990 LJUPPWJCSSDUTL-UHFFFAOYSA-N 311.254 -0.174 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)COc2ccccc2O)CC1=O 264451543 CVXGCYPBSOKWPT-VIFPVBQESA-N 307.306 -0.603 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CN(C)CCO1 267967736 FUIOPUVBSXFZOT-CYBMUJFWSA-N 322.365 -0.415 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)CNC(=O)NC 270448050 BWXXQILYFGLYOX-UHFFFAOYSA-N 324.337 -0.460 50 20 DBGD C[C@H]1CC/C(=C/C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1 273529805 UZXNSRZGRJGEFZ-WQHZVDDGSA-N 303.384 -0.182 50 20 DBGD COC(=O)N(C)NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C 286362570 NBPOXXQOEMUACE-UHFFFAOYSA-N 307.310 -0.089 50 20 DBGD O=C(NCCCN1C(=O)CNC1=O)NNc1cccc(F)n1 287306819 JULHGYJRWYCBLG-UHFFFAOYSA-N 310.289 -0.211 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)c1ccccn1 299010243 NOPMESBLMZCNND-UHFFFAOYSA-N 312.351 -0.732 50 20 DBGD CCc1ccccc1N1C[C@@H](C(=O)NNC(=O)CO)CC1=O 367704789 KYHBLOXYUCXGTD-NSHDSACASA-N 305.334 -0.258 50 20 DBGD CN1CCC[C@H](CN(C)C(=O)c2cc(B(O)O)ccc2F)C1 584947321 LODQHEIFPSNHAM-NSHDSACASA-N 308.162 -0.081 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 752373128 SPWMQXGPXWTNIQ-NSHDSACASA-N 315.333 -0.003 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC1COC(C)(C)OC1 758730843 LVCDJLPRBUHLJG-SECBINFHSA-N 319.358 -0.480 50 20 DBGD Cc1c(C#N)cccc1NC(=O)C(=O)NNC(=O)CN(C)C 764213452 XLHLLNVYJSMENL-UHFFFAOYSA-N 303.322 -0.486 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ncc(C2OCCO2)s1 773080658 WTWBLHACQBHNPT-UHFFFAOYSA-N 314.323 -0.005 50 20 DBGD COC(=O)[C@H]1[C@@H](O)CCCN1CC(=O)NNC(=O)C(C)(C)C 781958120 KEUKJWXLFQUQRZ-GXSJLCMTSA-N 315.370 -0.822 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826602272 CZDFUFBCCLYIJZ-GUBZILKMSA-N 300.359 -0.391 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCS(=O)(=O)C[C@@H]1C 827272721 BUUKTKKNXQLMCB-LPEHRKFASA-N 319.383 -0.729 50 20 DBGD CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NNC(=O)C(C)(C)O 832754163 DIPOPHNRNMSWJR-SECBINFHSA-N 321.399 -0.989 50 20 DBGD CC(C)Cn1nccc1C=NNC(=O)[C@@H](C)NS(C)(=O)=O 842527295 IFLVRLWGBIYQHV-SNVBAGLBSA-N 315.399 -0.073 50 20 DBGD N[C@@H]1CCO[C@H]1C1CCN(CC(=O)NNC(=O)C2CC2)CC1 843389443 VIKPXKDOYYIFRP-OCCSQVGLSA-N 310.398 -0.628 50 20 DBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843976565 QPWGQAXIJFCZKX-IVZWLZJFSA-N 309.322 -0.030 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C1(n2cnnn2)CCCCC1 845446821 FGKBNGWXBFALIW-UHFFFAOYSA-N 318.341 -0.554 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1 856790808 BVDNFBYHGFRDIQ-VXGBXAGGSA-N 320.349 -0.234 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2O)N1 862460327 FYGWTLNPOLPVAN-MRVPVSSYSA-N 308.250 -0.660 50 20 DBGD CO[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1 862464395 XYTLIQYMCNHKTN-ZYHUDNBSSA-N 309.297 -0.061 50 20 DBGD O=C(NNS(=O)(=O)CCOCC(F)(F)F)c1cn[nH]c1 863413974 OXMPYVBASMMMAN-UHFFFAOYSA-N 316.261 -0.447 50 20 DBGD O=C(NCc1nnc(S)n1C1CC1)c1cccc(B(O)O)c1 863874151 NNIYOCAZXPEFSV-UHFFFAOYSA-N 318.167 -0.489 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 863999187 BIRMBCPNTMIAPS-LLVKDONJSA-N 307.306 -0.500 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)c2ccccn2)cn1 864389595 JRMOFSWOFAHUKF-UHFFFAOYSA-N 302.338 -0.086 50 20 DBGD C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1C 911777953 IBSCZZANPLFUPL-YIZRAAEISA-N 308.118 -0.757 50 20 DBGD CC(C)C(=O)NNC(=O)CCCS(=O)(=O)N1CCCC1 917916836 ARMSCGWCBYHSSN-UHFFFAOYSA-N 305.400 -0.004 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)CC(F)(F)F 918064275 FGTYXYLWORCZJA-MRVPVSSYSA-N 312.292 -0.010 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 1116598167 XYJUESNXYYYGBO-SECBINFHSA-N 320.349 -0.154 50 20 DBGD CS(=O)(=O)C[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 1117702084 LNLDXTQMARMBNZ-JTQLQIEISA-N 317.411 -0.700 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=S)NCC(N)=O 1318241001 ZSOBWNLMHMOSTQ-UHFFFAOYSA-N 306.351 -0.763 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)Cn1cc(C2CC2)nn1 1319212962 UAKHIUQZBCFYKW-UHFFFAOYSA-N 300.322 -0.059 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCC(=O)N2CCCC2)n1 1321496360 NCBNBDNSBUKWBS-UHFFFAOYSA-N 305.338 -0.044 50 20 DBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1ncc(F)cn1 1324549927 JKPTUEUQRKUGCP-MRVPVSSYSA-N 320.371 -0.021 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C 1328054238 AMKMGJVDNILETC-UHFFFAOYSA-N 309.204 -0.235 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2CC[C@@H](N)C2)C[C@@H]1Br 1331388918 UVRQCBSSYQBTND-VHSKPIJISA-N 304.188 -0.164 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)Cc1cccnc1 1338555957 FPXNPUCSHNPKKN-UHFFFAOYSA-N 318.293 -0.115 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2n[nH]cc2Br)cn1 1348621313 RCEFGCPUJONLRI-UHFFFAOYSA-N 313.115 -0.020 50 20 DBGD C[C@H]1Oc2c(cccc2C(=O)NNC(=O)[C@H]2CCN2)NC1=O 1576902500 ABCAUULQKRKKDC-GMSGAONNSA-N 304.306 -0.471 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2OCC[C@H]2N)cc1 1579715767 KZCGRAGBRJSPIH-MNOVXSKESA-N 306.322 -0.803 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)C1=NO[C@@]2(CCNC2)C1 1580573359 INMYZCVJYAEHFF-AWEZNQCLSA-N 303.322 -0.720 50 20 DBGD O=C(Cn1c(O)nnc1O)NNc1ccc(C(=O)O)cc1F 1601379053 UBGKEFMHULDING-UHFFFAOYSA-N 311.229 -0.330 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CNCC[C@@H]1c1cccc(F)c1 1601552999 QNEMSQPDEIIHAU-GHMZBOCLSA-N 324.312 -0.314 50 20 DBGD COC(=O)CCN(CC(=O)O)C(=O)/C(C#N)=C\c1cnn(C)c1 1604303755 YRRPZXJIADOACX-WZUFQYTHSA-N 320.305 -0.197 50 20 DBGD CCOC(=O)NNC(=O)C1CCN(S(=O)(=O)CC)CC1 47836667 KGBLGMCSSPDIMS-UHFFFAOYSA-N 307.372 -0.175 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 268286129 CLBRMXYKPPMJEO-ZYHUDNBSSA-N 320.349 -0.076 50 20 DBGD Cn1c(=O)n(CC(=O)NNC(=O)C(C)(C)O)c2ccccc21 278072426 ZRAGPLTYZMTMCH-UHFFFAOYSA-N 306.322 -0.742 50 20 DBGD O=C(CN1CC[C@H](n2cncn2)C1)NNC(=O)c1ccccc1 372381728 YCEJSHPPUJOHFM-ZDUSSCGKSA-N 314.349 -0.014 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCO[C@H]1C1CC1 375109711 HGQIQXDMOANEPM-XHDPSFHLSA-N 324.381 -0.199 50 20 DBGD O=C1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)[C@H](C2CC2)N1 584986880 DSFBWRPASRTMKW-OCCSQVGLSA-N 302.139 -0.847 50 20 DBGD CO[C@H]1COCC[C@H]1CNC(=O)c1cc(B(O)O)ccc1F 584998203 NWPOMRVNSILMTH-ZANVPECISA-N 311.118 -0.713 50 20 DBGD OCC[C@H](NCc1ccc(B(O)O)cc1F)C1CCOCC1 585036876 RCKWUPHDYQZQOD-HNNXBMFYSA-N 311.162 -0.227 50 20 DBGD CCCC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](B(O)O)C1 585072594 OYVVNIPOQGHDPF-ZJUUUORDSA-N 300.189 -0.237 50 20 DBGD O=C(Cc1ccccc1)NCCC(=O)N1CC[C@@H](B(O)O)C1 585073606 CUZXEUQMFUKCAH-CYBMUJFWSA-N 304.155 -0.189 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 738138391 VRBOMTBDXCLBHB-IUCAKERBSA-N 307.306 -0.025 50 20 DBGD COc1ccccc1C(=O)NNC(=O)c1nccnc1C(N)=O 746239749 HMVKRROGRFTIHY-UHFFFAOYSA-N 315.289 -0.341 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(C)o1 752369136 BYZDYNUHCRVXCY-UHFFFAOYSA-N 303.340 -0.033 50 20 DBGD CNC(=O)N1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1 753423923 KZWOJGQLYZVBTP-LLVKDONJSA-N 313.402 -0.475 50 20 DBGD CC1(C)OCC(NC(=O)NNC(=O)C(=O)N2CCCC2)CO1 758727177 GQYIZMZQKFBYLR-UHFFFAOYSA-N 314.342 -0.909 50 20 DBGD C[C@@H](OCC1CC1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758829675 GBORSKGJPQTDCW-SECBINFHSA-N 306.322 -0.017 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](C)S(=O)(=O)CC1 759997726 AMMCXYXJGGCVEZ-NXEZZACHSA-N 305.400 -0.559 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)OCC(=O)NNC(=O)c1ccccc1 786063134 HQOBXBFOIBPQJT-GZMMTYOYSA-N 321.289 -0.512 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(Cn3cccn3)on2)cn1 794341379 XQSVMXJAEKMHGG-UHFFFAOYSA-N 315.293 -0.272 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)cc1F 794581307 KFURKVGGCUWQAK-UHFFFAOYSA-N 305.287 -0.265 50 20 DBGD COc1ccnc(NNC(=O)CCCCCS(N)(=O)=O)n1 816859654 HWCFADDUPYSEMV-UHFFFAOYSA-N 317.371 -0.223 50 20 DBGD C=CCNC(=S)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 819751442 USNMEMQZYVPGTA-UHFFFAOYSA-N 306.355 -0.500 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cnn(C[C@@H](O)CO)c2)o1 829830970 HNMXNCMBIDGSAA-SNVBAGLBSA-N 308.294 -0.787 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCc3nnnn3CC2)o1 845740452 ZZGLFHOWVUASTL-SECBINFHSA-N 304.310 -0.012 50 20 DBGD COC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(C)o1 858697433 RUPRYKDYRVLRTJ-UWVGGRQHSA-N 324.337 -0.115 50 20 DBGD O=C(CCc1nc2ccccc2[nH]1)NNC(=O)[C@H]1CCC(=O)N1 862449274 DGOHNHCTIUQYEC-LLVKDONJSA-N 315.333 -0.079 50 20 DBGD Cc1csc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 862476283 OGOKIFINNVJXME-ZETCQYMHSA-N 305.381 -0.245 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])s1 863457479 ISDYFDAOQDQTEP-UHFFFAOYSA-N 307.309 -0.538 50 20 DBGD CCOC(=O)C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863870661 KOOIBHUAUYKYPC-UHFFFAOYSA-N 305.139 -0.218 50 20 DBGD COC(=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CCCC1 866284784 HWFYDTSBQNAGAM-UHFFFAOYSA-N 323.129 -0.031 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCCN(CC(F)F)C1 869906648 YPJNGPSZMJAACA-JTQLQIEISA-N 323.340 -0.226 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NN(C)C(=S)NC)C1 909992416 CUBBRXDRXDRBOZ-SNVBAGLBSA-N 316.427 -0.271 50 20 DBGD COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cccc(B(O)O)c1 916595886 FMGWNMFEDIYXRP-JTQLQIEISA-N 313.065 -0.611 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CO[C@H]1CCOC1 1252547100 JMBGOGNRMRTXHR-JTQLQIEISA-N 301.343 -0.756 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)c2c[nH]nc2C)c(O)n1 1318422056 OILZRCLOFZYJQT-UHFFFAOYSA-N 304.310 -0.166 50 20 DBGD O=C(NNC(=O)c1cc(-c2ccccn2)no1)C(=O)NC1CC1 1319431187 UVDRZMKIZZAMCG-UHFFFAOYSA-N 315.289 -0.224 50 20 DBGD Cc1ocnc1CNC(=O)NNC(=O)CNC(=O)c1ccco1 1319732997 OILLTPOMNZLLGM-UHFFFAOYSA-N 321.293 -0.164 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CCCO[C@H]1C(C)C 1323669766 ZROWTFFFJXNFKU-ZJUUUORDSA-N 301.343 -0.059 50 20 DBGD Cn1nnc(CNC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1 1326697600 CFTNLZHXZNXBNU-UHFFFAOYSA-N 323.744 -0.063 50 20 DBGD Cn1nnc2c1CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)C2 1326877161 TXDNGUJPQDTWGG-SKDRFNHKSA-N 322.369 -0.428 50 20 DBGD CC(=O)c1csc(C(=O)NNC(=O)CS(C)(=O)=O)c1 1335369282 WTMVJERZWOGYGI-UHFFFAOYSA-N 304.349 -0.244 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2noc3ccccc23)N1 1337638536 VYJJTLWDTMDHJD-SECBINFHSA-N 317.305 -0.063 50 20 DBGD Cc1noc(Cl)c1CC(=O)NNC(=O)C(=O)NC(C)C 1338194042 LBBSHPPOAWUSOA-UHFFFAOYSA-N 302.718 -0.149 50 20 DBGD C[C@@H]1[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@H]2CC[C@H]1N2 1576580186 UREQNNBNYOFTEU-VPJKUYQRSA-N 309.370 -0.876 50 20 DBGD C[C@H]1[C@H](NC(=O)c2cc(B(O)O)ccc2F)C[C@H]2CC[C@H]1N2 1576587682 HKTWJECYAPRAQO-KNJXUWEQSA-N 306.146 -0.236 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C2CCNCC2)c2ncnn21 1576617405 HGSLRFDHMPXLPI-WPRPVWTQSA-N 307.358 -0.386 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C(=O)O)C(C)C 1589512408 AFMMFTDPCJZTPJ-SECBINFHSA-N 301.343 -0.205 50 20 DBGD O=C1CC[C@@H](C(=O)NN=Cc2cc(-c3nn[nH]n3)cs2)N1 1593388189 LXIHJLGZKOCHIA-QMMMGPOBSA-N 305.323 -0.343 50 20 DBGD O=C(O)[C@@H](Cc1ccncc1)NCc1ccc(B(O)O)cc1 1594840802 KBXDFHALMJHOJM-CQSZACIVSA-N 300.123 -0.453 50 20 DBGD Cn1cnn(CC(=O)NNc2ccc(C(=O)O)cc2F)c1=O 1600995563 LUGLJJKTZXJAEB-UHFFFAOYSA-N 309.257 -0.438 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCO[C@H](c2ccncc2)C1 1601552671 DIQGJIDERUVJSZ-ZJUUUORDSA-N 308.294 -0.283 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(C(=O)O)cc1 1601553414 HEWNXGDUZJVGCG-JTQLQIEISA-N 309.278 -0.047 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)[C@@H](OC)C(=O)O)cc1 1604781856 GPSCUDXWOYOARB-GFCCVEGCSA-N 310.306 -0.125 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)[C@@H]2CCCO2)C1 1846146042 WJEKIOBSDUVPLM-QWRGUYRKSA-N 316.785 -0.032 50 20 DBGD COc1cccc(CCNC(=O)NNC(=O)C(=O)NC2CC2)c1 45760133 VFZJKTVFTCGHLG-UHFFFAOYSA-N 320.349 -0.153 50 20 DBGD CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 113423702 BSHNYHDALGSXJT-RYUDHWBXSA-N 312.414 -0.020 50 20 DBGD CCn1c(NNC(=O)[C@@H]2COCCN2)nc2ccccc2c1=O 236993004 DDRKWGDROCIJSH-LBPRGKRZSA-N 317.349 -0.152 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CC1=O 298304635 PZZDHQHRWFEFRP-SECBINFHSA-N 309.297 -0.170 50 20 DBGD Nc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1[N+](=O)[O-] 299330764 BXNIFYVSKTZCJN-UHFFFAOYSA-N 309.282 -0.136 50 20 DBGD C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(B(O)O)cc1 584947875 DMQSZZBVTNIKBR-VHSXEESVSA-N 311.168 -0.986 50 20 DBGD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(B(O)O)c(F)c1 584979727 CRBUTVWYWTUNEQ-BREBYQMCSA-N 320.129 -0.769 50 20 DBGD O=C(NC[C@H](CO)CC1CCOCC1)c1cccc(B(O)O)c1 584981245 APKGYVYMDFNLFR-CYBMUJFWSA-N 321.182 -0.479 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@]2(CCO[C@@H]2C)O1 584981904 CHSRFDOLDZRJNI-HSMVNMDESA-N 319.166 -0.225 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(F)(F)[C@H](CO)C1 584990287 AZMBZCZANWPZOG-QMMMGPOBSA-N 317.072 -0.405 50 20 DBGD O=C(c1ccncc1)N1CC[C@@H](NCc2ccc(B(O)O)o2)C1 585031474 VNPNMOIJQLHUBE-GFCCVEGCSA-N 315.138 -0.641 50 20 DBGD OB(O)c1ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)c(F)c1 585035196 QRCQXZZYKPQDEQ-UKRRQHHQSA-N 309.146 -0.067 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCCCl 696853307 KCOILUHGTSICFC-HTQZYQBOSA-N 305.805 -0.653 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)cc1O 728436549 HFDWJSDACNTTMO-ZETCQYMHSA-N 301.324 -0.514 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)NC(=O)O)C[C@H](C)O1 739180955 HHJAMWJZUZQHMM-GUBZILKMSA-N 316.358 -0.711 50 20 DBGD Cn1nnnc1SCC(=O)NNC(=O)c1ccc(C#N)cc1 742447137 AVGSIDYLMTYBTM-UHFFFAOYSA-N 317.334 -0.365 50 20 DBGD COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 745867333 PRUOZRDSBSWSFX-MRVPVSSYSA-N 300.359 -0.201 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 751212696 KIJOPAFJUNKYOB-UHFFFAOYSA-N 303.296 -0.445 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCC[C@@H](C)C1 758056957 UREHRHUKTGZJQP-KXUCPTDWSA-N 305.400 -0.102 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H](C)NS(C)(=O)=O)nc1 759729053 AZAOJGGTOPUONH-ZETCQYMHSA-N 316.339 -0.751 50 20 DBGD O=C(CO)NNC(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 764422484 SITHWGZNMGYQNE-SNVBAGLBSA-N 318.333 -0.858 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)n1 770434305 FTGIKPPAKBNHPA-UWVGGRQHSA-N 310.358 -0.170 50 20 DBGD NC(=O)N[C@H](CO)C(=O)NNc1ncc(Cl)cc1Cl 775269291 FTFVRVQCIRBKPT-ZCFIWIBFSA-N 308.125 -0.139 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCNC(=O)[C@@H]2C)c1 777573792 WTTDNDHUUNGEJS-NSHDSACASA-N 304.350 -0.424 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(C)nn1C 788994483 KHNREYMPLWKKDR-JTQLQIEISA-N 313.383 -0.061 50 20 DBGD CC(C)C(Cn1cccn1)=NNC(=O)[C@@H](C)NS(C)(=O)=O 802711776 XRQJBKKXXHVTSE-SNVBAGLBSA-N 315.399 -0.051 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cn3cccnc3n2)CC1 807383513 YGRISYGSLXHZIB-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD COC[C@H](C)[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 812453687 QHNKXUMRNRBGCA-GUBZILKMSA-N 306.384 -0.513 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)NC1CCCCC1 814719571 UZWVJXGMRVTWIR-UHFFFAOYSA-N 310.358 -0.005 50 20 DBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842590717 QZGGWFDGYJYTLF-IUCAKERBSA-N 302.356 -0.537 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCN2CCCC[C@@H]12 847443667 UOQMZRSZNOQDMB-RYUDHWBXSA-N 323.397 -0.388 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCS1(=O)=O 847518157 LYYBCEKXYBTDLB-VIFPVBQESA-N 319.383 -0.984 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)CCc1ccccc1O 857118041 AZBGPMUJXOQSMF-MNOVXSKESA-N 305.334 -0.016 50 20 DBGD C[C@H](CCc1cccn1C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858252612 MKMYCMDBUHMQIG-ZYHUDNBSSA-N 321.381 -0.045 50 20 DBGD COC(=O)/C=C/c1ccc(C=NNC(=O)CS(C)(=O)=O)o1 863183977 QZNNFEKBQSGNQC-HNIQKQMJSA-N 314.319 -0.040 50 20 DBGD COc1ccc(OC)c(C(=O)NNC(=O)CS(C)(=O)=O)c1 863459357 ORGJWURAVTZNCW-UHFFFAOYSA-N 316.335 -0.491 50 20 DBGD CS(=O)(=O)CCN(C(=O)c1cccc(B(O)O)c1)C1CC1 863878536 SITROJMAYQZOFF-UHFFFAOYSA-N 311.168 -0.984 50 20 DBGD CN1C(=O)[C@@H]2CN(S(=O)(=O)CBr)C[C@@H]2C1=O 867766000 ZJCAZUFGUAKKIH-OLQVQODUSA-N 311.157 -0.785 50 20 DBGD C[C@@H](C(=O)NNC(=S)NC(C)(C)C)N1C(=O)CCC1=O 899992216 RSVBYUCFIRLJAU-ZETCQYMHSA-N 300.384 -0.182 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNc1nncc(N)c1Cl 1116296697 ZCNYOCMAUZNZOW-YFKPBYRVSA-N 322.778 -0.229 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccnc1N1CCCC1 1118607239 HMINZBBLLVIGQB-UHFFFAOYSA-N 321.337 -0.315 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)n1ccnc1 1319174939 ORWMCXDTTVTITM-JTQLQIEISA-N 316.321 -0.584 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CCCCO)CC1 1320025153 ZICILYWXYWXGTC-GFCCVEGCSA-N 300.403 -0.678 50 20 DBGD CC(C)NC(=S)NNC(=O)c1ccc(S(N)(=O)=O)nc1 1321626482 ZUPYYRPHVSTKNV-UHFFFAOYSA-N 317.396 -0.754 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCC(=O)c1cnn(C)c1 1322401936 JGVNBPLHMJREBX-UHFFFAOYSA-N 309.326 -0.945 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)CCO1 1323318474 JMAWCWLJFOJFDS-UWVGGRQHSA-N 324.337 -0.093 50 20 DBGD CSCC[C@H](O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1324086652 RBLCIHFPFIMFRT-UWVGGRQHSA-N 310.441 -0.407 50 20 DBGD CCNC(=O)CCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324797040 CITGUZSVNXWZGV-LLVKDONJSA-N 319.427 -0.215 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)C(=O)NC(C)C)s1 1325841549 JORLPLUEUZPYAJ-UHFFFAOYSA-N 315.355 -0.965 50 20 DBGD CN1CCC[C@@H](NC(=O)NNc2nncc(N)c2Cl)C1=O 1330367542 KHADFHJQPBREKF-SSDOTTSWSA-N 313.749 -0.041 50 20 DBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)C(=O)N2CCCC2)C1 1330514982 ILIONISCFCKCMJ-AWEZNQCLSA-N 310.354 -0.985 50 20 DBGD CC[C@@H](NC(C)=O)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1330574842 CWZCGJPVCHPXAD-GHMZBOCLSA-N 305.400 -0.607 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCC2CCN(C3CC3)CC2)N1 1331295719 GRLVNCUTNVXZGE-GFCCVEGCSA-N 323.397 -0.530 50 20 DBGD CC(C)OC[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 1331536297 BMSBTTOJURMAQG-LLVKDONJSA-N 311.342 -0.110 50 20 DBGD O=C(NNC(=S)NCC1CCC1)N[C@@H]1CCS(=O)(=O)C1 1338377729 CFUDJIZNAKDYGJ-SECBINFHSA-N 320.440 -0.348 50 20 DBGD COCC1(C(=O)NNC(=O)c2ccc(=O)n(C)c2)CCNCC1 1578976613 DHPRRVXCGJSZFV-UHFFFAOYSA-N 322.365 -0.838 50 20 DBGD CC(C)[C@H](C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1588808022 NDTLGGURQDYWGH-VIFPVBQESA-N 308.294 -0.476 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 1593911954 VEEUPYHVZWLNCZ-LLVKDONJSA-N 318.289 -0.267 50 20 DBGD O=C(NNc1ncncc1F)C(=O)Nc1cncc(C(=O)O)c1 1594781123 GUBABORHDBLNFQ-UHFFFAOYSA-N 320.240 -0.209 50 20 DBGD O=C(NNc1ccc(F)c(C(=O)O)c1)c1cccc(B(O)O)c1 1601557128 SLRWUNDDUXKTCT-UHFFFAOYSA-N 318.069 -0.039 50 20 DBGD O=C(NN[C@H](C(=O)O)C1CC1)c1ccc(-n2cnnn2)cc1 1601557327 KOAUMFZHXGQESU-NSHDSACASA-N 302.294 -0.240 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@]2(CC(C(=O)O)=NO2)C1 1604860201 SPECITKRKVGUBL-OQPBUACISA-N 312.326 -0.762 50 20 DBGD CCO/C=C(/C#N)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609239723 UOKWZKGTKLVJTL-VURMDHGXSA-N 303.286 -0.982 50 20 DBGD CO[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C(=O)O)C1 1610236148 AXYAMFUGJGUEAT-NXEZZACHSA-N 315.370 -0.256 50 20 DBGD O=C(NCCC(=O)N1CCOCC1)NNC(=O)c1ccccc1 45482246 FETRIYOKYAGZML-UHFFFAOYSA-N 320.349 -0.121 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)CNc1ccccc1 266988192 GUYHCPWIPBAQBT-SNVBAGLBSA-N 313.379 -0.073 50 20 DBGD C[C@@H](O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 276149931 QFHYKFLWYVWEQQ-MRVPVSSYSA-N 315.351 -0.921 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)[C@@H]1CCCCO1 295829591 YYWCEEKUJPNSCK-QMMMGPOBSA-N 310.310 -0.176 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 299238403 VUUGSEOMRUMNNM-QMMMGPOBSA-N 315.351 -0.606 50 20 DBGD O=C(NNC(=O)c1cc2c(cn1)OCCC2)C(=O)N1CCCC1 364701034 YYEKLNLBNUYCKW-UHFFFAOYSA-N 318.333 -0.210 50 20 DBGD C[C@@H]([C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1)N1CCOCC1 584940896 ANMSBQCCHWFZQN-MNOVXSKESA-N 324.161 -0.656 50 20 DBGD COCCN(CCNC(=O)c1ccc(B(O)O)c(F)c1)C1CC1 584942467 HSRMPGDVQUMQOL-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN[C@H](c2ccncc2)C1 584986957 PGIFNOOLQJCIMC-HNNXBMFYSA-N 311.150 -0.452 50 20 DBGD CC(C)c1n[nH]c(CNC(=O)c2ccc(B(O)O)c(F)c2)n1 584994542 AWKMIGNVGSUOKE-UHFFFAOYSA-N 306.106 -0.323 50 20 DBGD CC(C)N1C[C@H](CNC(=O)c2ccc(B(O)O)cc2)CC1=O 584996097 XLXANNUEMZDDNV-NSHDSACASA-N 304.155 -0.647 50 20 DBGD OB(O)c1ccc(CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)o1 585039217 QIHHHTOTTASVET-APEOGNFASA-N 315.178 -0.442 50 20 DBGD O=C(CNC(=O)c1ccco1)NN=C1CCCS(=O)(=O)C1 731926839 SNRIBHNXOPIOMQ-UHFFFAOYSA-N 313.335 -0.310 50 20 DBGD Cc1cnn(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 740922413 ZKHCEFVYUDFVRZ-STQMWFEESA-N 323.397 -0.162 50 20 DBGD CN(C)S(=O)(=O)NNC(=O)c1cnn(-c2ccccc2)c1 742029262 DBLOLQSHVPDCLB-UHFFFAOYSA-N 309.351 -0.087 50 20 DBGD Nn1c(SCC(=O)NNC(=O)C2CC2)nnc1-c1ccco1 742445330 QVHVWDYLKVQWFJ-UHFFFAOYSA-N 322.350 -0.099 50 20 DBGD CCN(CC(=O)NNc1nc(O)c2cnn(C)c2n1)C1CC1 750880673 VNSFCDFEPDEKQG-UHFFFAOYSA-N 305.342 -0.004 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)C[S@@](C)=O)n1 753361236 ZUVKFTIEUXRRCQ-JLTPVHFHSA-N 315.399 -0.403 50 20 DBGD CCN(CC(=O)NC)CC(=O)NNC(=O)c1ccc(F)cc1 764201958 DEEBGLIJDNXOFC-UHFFFAOYSA-N 310.329 -0.345 50 20 DBGD CCNC(=O)N(C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 768409614 IPXBVTHAHFHIQH-UHFFFAOYSA-N 320.396 -0.370 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CCCCS1(=O)=O 772582014 SLWWASFLWZLBMK-VIFPVBQESA-N 305.356 -0.973 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)c1[nH]nnc1C 789869544 PPTIRVZJDUTKAD-UHFFFAOYSA-N 305.294 -0.038 50 20 DBGD C=CCN1CC[C@@H](N(C)CC(=O)NNC(=O)C(C)(C)C)C1=O 799177557 RZGDPKUWOYKYCG-LLVKDONJSA-N 310.398 -0.101 50 20 DBGD CCn1nncc1C(=O)OCC(=O)NNC(=O)c1ccccc1 815528712 WKJCZAQSIWLQMA-UHFFFAOYSA-N 317.305 -0.084 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCC(=O)N(C)OC 817795433 VVBCGJRQUZLJMV-UHFFFAOYSA-N 324.337 -0.412 50 20 DBGD N[C@@H]1C[C@@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 818110042 RVOCFMGEDFOXAA-NWDGAFQWSA-N 310.379 -0.082 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NC1COC(C)(C)OC1 826903044 QXFHSTSTHIETOZ-SCZZXKLOSA-N 301.343 -0.107 50 20 DBGD CCNC(=O)CN(CC)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 827315053 NFDBMCIVGNSDRA-VHSXEESVSA-N 300.359 -0.390 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)Cn2nc(C)n(C)c2=O)n1 848227900 OPZHLNIUMJLUES-UHFFFAOYSA-N 311.733 -0.215 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc(N)c1[N+](=O)[O-] 848234242 DVLJAXABVFGFFJ-RNFRBKRXSA-N 309.282 -0.242 50 20 DBGD O=C(NNc1ncc(Br)cn1)[C@]1(O)CCOC1 848322496 DLZSKIHWGXZUPL-VIFPVBQESA-N 303.116 -0.166 50 20 DBGD NC[C@@H]1OCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)no1 852864920 MDLBRBQRPOISQX-UWVGGRQHSA-N 304.310 -0.062 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1cccc(F)n1 856423003 JYHJSZUGQFQUOU-HQJQHLMTSA-N 324.312 -0.743 50 20 DBGD O=C1N[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 858091558 BALREGCTGURDMR-SECBINFHSA-N 308.250 -0.146 50 20 DBGD CNc1snc(C)c1C(=O)NNC(=O)CS(C)(=O)=O 863458556 AIVPREBIATUPPK-UHFFFAOYSA-N 306.369 -0.701 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)s1 863459759 YUJJBKSNPAHQAI-UHFFFAOYSA-N 320.348 -0.660 50 20 DBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)CC1(C)OCCO1 863874010 NEMHPZZERVSJNO-LLVKDONJSA-N 307.155 -0.115 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)C(=O)Nc1ccccn1 1252886939 YZYMCPJFZBZMBV-UHFFFAOYSA-N 312.351 -0.053 50 20 DBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)C(C)(C)C)CC1 1317891221 QHOTXZSTOBHYKM-UHFFFAOYSA-N 313.402 -0.427 50 20 DBGD Nc1cnnc(NNC(=O)CCN2CCOC2=O)c1Cl 1319777395 RKHHQAUKUSSVLM-UHFFFAOYSA-N 300.706 -0.002 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CCO)ccc1C 1323943468 IHDXJIUWRKRSRV-UHFFFAOYSA-N 323.305 -0.750 50 20 DBGD NC(=O)c1cccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1324429993 SVLDSONCKYOPSE-NSHDSACASA-N 309.347 -0.330 50 20 DBGD Cc1ncc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1331056702 GDEOWQVDWMUIKJ-SECBINFHSA-N 311.367 -0.397 50 20 DBGD COC(=O)N(C)CC(=O)NNc1nc(O)c2cnn(C)c2n1 1334109701 LVAWTTCDLNDZAO-UHFFFAOYSA-N 309.286 -0.790 50 20 DBGD CCOC(=O)NNC(=O)c1nnn(Cc2noc(C)n2)c1C 1339421507 HWDSSGITGXEXQR-UHFFFAOYSA-N 309.286 -0.283 50 20 DBGD C#CCCCC(=O)NNC(=O)Cc1noc(C)c1-c1nn[nH]n1 1588340902 KTBNBBPAKZLANC-UHFFFAOYSA-N 317.309 -0.343 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)O)C2)ccc1=O 1600932680 QMTSGKNXNNVJKF-KYZUINATSA-N 308.294 -0.808 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)Nc1cc(C(=O)O)ccn1 1601553641 OXNPRZWNWWDSEA-MRVPVSSYSA-N 310.266 -0.652 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ccc(F)c(C(=O)O)c2)C1=O 1606189107 BCJSWJMXKIZMKZ-UHFFFAOYSA-N 324.268 -0.139 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(-n2cnnn2)cc1 7679051 WYYDEYMKUAFQGN-UHFFFAOYSA-N 303.351 -0.043 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@H]1COc2ccccc2O1 53578159 MUVFIHJQKNQAGI-GFCCVEGCSA-N 307.306 -0.101 50 20 DBGD Cn1cccc1/C=C(/C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 255569110 ASOUPQMBEIVEEI-CLFYSBASSA-N 313.317 -0.205 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 270937907 MFNQUEVPYSTWDG-JTQLQIEISA-N 320.305 -0.825 50 20 DBGD O=C(NCCNC(=O)C1CCCC1)c1ccc(B(O)O)c(F)c1 584936061 DIBTVGARHNVNSE-UHFFFAOYSA-N 322.145 -0.458 50 20 DBGD C[C@H](CCNC(=O)c1ccc(B(O)O)c(F)c1)[S@](C)=O 584962633 JGIITTQFOWXCHD-SQFXPLBJSA-N 301.148 -0.608 50 20 DBGD CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584968966 QCVPGTNDWLIVLD-GFCCVEGCSA-N 308.118 -0.754 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN1CC(C)(C)O 584978966 HAECTWNJURIHMX-LBPRGKRZSA-N 320.198 -0.716 50 20 DBGD CC(C)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)c1nncn1C 584988384 MMJUPVFBYZIENX-LBPRGKRZSA-N 320.133 -0.239 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 584996772 PIGHLGWBASKGTJ-UMVBOHGHSA-N 303.167 -0.011 50 20 DBGD CC(C)[C@H](C(=O)NCB(O)O)N1C(=O)c2ccccc2C1=O 585054385 KYAQVPOZLFVIKR-LLVKDONJSA-N 304.111 -0.565 50 20 DBGD C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@H](B(O)O)C2)C1=O 585070430 ZVLYODDTORGVCP-QWRGUYRKSA-N 318.138 -0.124 50 20 DBGD C[C@H](C(=O)NNC(=O)COc1ccccc1O)S(C)(=O)=O 730778183 DCVJRFAMADUVLI-MRVPVSSYSA-N 316.335 -0.649 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)C2=NNC(=O)C2)c(C)c1 731867645 YPOWMCNCHVDZHI-UHFFFAOYSA-N 303.322 -0.261 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cccc[n+]2[O-])C[C@@H](C)O1 732263476 NBJTUYWUQJJSOA-TXEJJXNPSA-N 322.365 -0.420 50 20 DBGD O=C(NNC(=O)C1CCS(=O)(=O)CC1)c1ccccc1O 732997078 RYDBLEQWHNUMGE-UHFFFAOYSA-N 312.347 -0.022 50 20 DBGD N#Cc1cccc(NNC(=O)CN2CCS(=O)(=O)CC2)c1 748037944 WWTSMBOEZUDVAH-UHFFFAOYSA-N 308.363 -0.268 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 748849490 NPFNPCPGMNRXOI-QMMMGPOBSA-N 317.309 -0.745 50 20 DBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)[C@H](C)NS(C)(=O)=O 755889139 KSZQFVLPULHNFR-IUCAKERBSA-N 302.400 -0.490 50 20 DBGD COC(=O)CCOc1ccc(NC(=O)NNC(=O)CO)cc1 756280168 ZGRURPCUDKTQGA-UHFFFAOYSA-N 311.294 -0.227 50 20 DBGD CN(NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C(N)=O 770436363 JKVIQVLWIPAYHX-UHFFFAOYSA-N 312.351 -0.336 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cn3ccccc3n2)CC1 773673851 PYGHFSGPRHIAPQ-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NCC(=O)N1CCOCC1 776637765 BXVDLYHOECNUKG-UHFFFAOYSA-N 312.248 -0.872 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H](CO)CC1CC1 778641828 TXCHWBPRKBVMKA-SNVBAGLBSA-N 324.337 -0.499 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccncn1 779393919 UXZXYFOATDFVFZ-UHFFFAOYSA-N 300.278 -0.937 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)Cn1cnc2ccccc21 785001899 QAIPSGPRIWMQIR-LBPRGKRZSA-N 315.333 -0.196 50 20 DBGD CN1CCN(C(=O)NNC(=O)CC[C@]2(C)CCC(=O)N2)CC1 807382462 DFFADZLIEPUVFO-AWEZNQCLSA-N 311.386 -0.577 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 823115876 WCDAXQJINODLJZ-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD Cc1c(NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cccc1[N+](=O)[O-] 830810099 HJNCIFAGFWRWAU-JHJVBQTASA-N 323.305 -0.241 50 20 DBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842585551 CDYJUEOMEBREJN-RKDXNWHRSA-N 302.356 -0.239 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc([N+](=O)[O-])cnc1O 844146115 JEUDYSJLKXIEHI-HTRCEHHLSA-N 310.266 -0.119 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@@H]1COCCO1 852495426 KGOIHGXXFRJRJZ-NWDGAFQWSA-N 301.387 -0.084 50 20 DBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)N3CCN(C)CC3)cc12 854378851 FMCZGVMULNSEJV-UHFFFAOYSA-N 317.353 -0.132 50 20 DBGD CCCN(CC)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858478316 YAEVTYCMDUVGOT-WDEREUQCSA-N 313.402 -0.284 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)c1cccc(F)n1 858624480 IGSVGOCSEXMBRX-UHFFFAOYSA-N 314.273 -0.646 50 20 DBGD COc1ccc(F)c(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858628609 VRZXUAOVSNENDN-NSHDSACASA-N 324.312 -0.057 50 20 DBGD COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858694636 APKQJNKLWHMLIC-BDAKNGLRSA-N 312.326 -0.967 50 20 DBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)[C@H]1CCC(=O)N1 862448476 DZMXXZIEOGTFAU-SNVBAGLBSA-N 310.354 -0.891 50 20 DBGD COc1cc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1C 862449687 JBZKRSPSMKKZDV-NSHDSACASA-N 305.334 -0.028 50 20 DBGD O=C1CCc2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)ccc2N1 862450441 TVMQDNJEGYWJRC-NSHDSACASA-N 316.317 -0.389 50 20 DBGD CN(C)N(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1117717644 SIDBBEKTKKWELN-SSDOTTSWSA-N 317.327 -0.576 50 20 DBGD CC(C)c1noc(CCC(=O)NNC(=O)C(=O)N2CCCC2)n1 1318081468 GKRPMQUHOCZHDK-UHFFFAOYSA-N 323.353 -0.105 50 20 DBGD Cc1ncoc1C(=O)NNC(=O)CNC(=O)c1cccnc1 1319183976 RILBNSZOFPTOFQ-UHFFFAOYSA-N 303.278 -0.431 50 20 DBGD C=CCNC(=S)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1 1321718526 GQAUGRPBQANOML-MRVPVSSYSA-N 323.465 -0.412 50 20 DBGD CCCn1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1325121709 RUZWAFXAKPWIGT-SECBINFHSA-N 314.367 -0.511 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)N1 1328789452 QMYZHPHQAAGZDJ-GMTAPVOTSA-N 310.354 -0.447 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@]1(F)CCOC1 1346425223 SBZVYHZFUOBJDK-GFCCVEGCSA-N 315.326 -0.246 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)C2=NO[C@]3(CCNC3)C2)cc1 1580063933 CMUYNHOQSGHPIB-OAHLLOKOSA-N 313.317 -0.172 50 20 DBGD NC1(CC(=O)NNC(=O)Cc2cn3ccccc3n2)COC1 1580144177 MXQPEPFGCHAQRH-UHFFFAOYSA-N 303.322 -0.858 50 20 DBGD O=C(Cc1cccc(C(=O)O)c1)NNC(=O)[C@H]1CCC(=O)N1 1601364901 UBSFSXNEIDKMGE-SNVBAGLBSA-N 305.290 -0.647 50 20 DBGD O=C(NCc1ccccc1Cn1cncn1)NNC(=O)C(=O)O 1601543343 UVHVQPJJCVTMHD-UHFFFAOYSA-N 318.293 -0.759 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-n2cnnn2)cc1 32258642 XUIXTPJDTLPHIH-LLVKDONJSA-N 302.294 -0.398 50 20 DBGD COC1(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CCC1 272531558 KEKJQLZFBOYRCI-UHFFFAOYSA-N 324.337 -0.091 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 274667422 KLMCMIIQDSYEOY-UHFFFAOYSA-N 310.266 -0.013 50 20 DBGD C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 281575616 PAIZHQHZCLTNMM-NWDGAFQWSA-N 324.381 -0.080 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 299154353 MEXCJDPTAXSTGP-LLVKDONJSA-N 305.334 -0.137 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1COCCN1 368602891 LBSZMEVZCJVSIF-NSHDSACASA-N 308.338 -0.757 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 369048988 ZGJMGAJBTCPDKO-MNOVXSKESA-N 322.369 -0.026 50 20 DBGD O=C(CN1C[C@@H](O)C[C@H](C(=O)O)C1)NNC(=O)c1ccccc1 401839379 SEVYHRVVNSFYOH-RYUDHWBXSA-N 321.333 -0.785 50 20 DBGD O=C(NC[C@H](CO)Cc1ccco1)c1cc(B(O)O)ccc1F 584930903 FZHOSQZXYGTQME-SNVBAGLBSA-N 321.113 -0.321 50 20 DBGD NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584940141 PTWYGWNDHAJDDL-LLVKDONJSA-N 304.155 -0.516 50 20 DBGD CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(B(O)O)cc1 584941297 AWHZVGXLWBPVEZ-HNNXBMFYSA-N 320.198 -0.451 50 20 DBGD CS[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1N(C)C 584967325 JEDGCNLMWOLWGB-OLZOCXBDSA-N 308.212 -0.516 50 20 DBGD COCC(=O)Nc1cccc(CNCc2ccc(B(O)O)o2)c1 585014828 FPBRDAPTYBBJMR-UHFFFAOYSA-N 318.138 -0.166 50 20 DBGD O=C1CCCN1[C@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585047123 HSOBPJMHVUPLFC-NEPJUHHUSA-N 306.171 -0.017 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccncc1 729274262 HSDAHJQBVRMYEF-SECBINFHSA-N 314.367 -0.901 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 732084007 DTKRGJQDQFAIME-LBPRGKRZSA-N 309.351 -0.455 50 20 DBGD COC(=O)NNS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C 736941747 WWLVBJNYYLZLIY-UHFFFAOYSA-N 312.311 -0.276 50 20 DBGD CCNC(=O)CN(C)CC(=O)NNC(=O)c1cccc(C#N)c1 744389152 LWPYQAIENZXWGT-UHFFFAOYSA-N 317.349 -0.613 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCCS1 758043188 FZSMXBYYPWJKNM-SFYZADRCSA-N 309.413 -0.643 50 20 DBGD O=C1CN(CC(=O)NNC(=O)c2cccc(Cl)c2)CCN1 762550236 WAVLJGNMLHWBGT-UHFFFAOYSA-N 310.741 -0.467 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779751614 GLFABRWAQFAALR-ZJUUUORDSA-N 307.310 -0.740 50 20 DBGD O=C(NCC(=O)N1CCOCC1)NNc1nc2ccccn2n1 790455692 KFQCBTWHJJDSFG-UHFFFAOYSA-N 319.325 -0.786 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCN(C)C(=O)C1 807371742 PDUISRPSLSDVHR-SNVBAGLBSA-N 315.370 -0.209 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C(=O)N(C)OC)CC1 812871078 BAQPJVLDPAMHJY-SNVBAGLBSA-N 314.386 -0.336 50 20 DBGD O=C(COc1ccc(F)cc1)NN=C1C(=O)NC(=O)NC1=O 814214524 DFXGBTQOWSCLSZ-UHFFFAOYSA-N 308.225 -0.957 50 20 DBGD COC(=O)COCC(=O)NNC(=O)CCOc1ccccc1 824695328 XDKDFYUVKLNAEK-UHFFFAOYSA-N 310.306 -0.208 50 20 DBGD Cn1c(NNC(=O)[C@@H]2CCS(=O)(=O)N2)nc2ccccc21 848381057 FVXZXRVIMDQTNZ-VIFPVBQESA-N 309.351 -0.292 50 20 DBGD NC[C@@H]1OCC[C@@H]1C(=O)NNc1nc(-c2ccncc2)no1 852865001 PDGKHNNBAVMMSM-UWVGGRQHSA-N 304.310 -0.062 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C(C)(C)C(N)=O 855833210 PIEAARCRHWGICD-UHFFFAOYSA-N 314.386 -0.412 50 20 DBGD Cc1cc(NNC(=O)CCN2C(=O)CCNC2=S)ncn1 857126679 BTEOFBYLVAKNIO-UHFFFAOYSA-N 308.367 -0.275 50 20 DBGD N#Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862453550 XFADKKZHKJBWSS-LLVKDONJSA-N 302.290 -0.637 50 20 DBGD O=C(CSC[C@H]1CCCCO1)NNC(=O)[C@H]1CCC(=O)N1 862456473 YPZJNSRYYPFDAY-NXEZZACHSA-N 315.395 -0.285 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1CCCNC1=O 865985562 RPASBPUNPPDNBM-GFCCVEGCSA-N 305.334 -0.123 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)Cc1ccncc1 900930368 BODGEZRQOZKDNV-UHFFFAOYSA-N 316.365 -0.157 50 20 DBGD Cn1ccc(NC(=O)/C(C#N)=C\c2cn(C)c(=O)n(C)c2=O)n1 1116389313 XHRULXOHVBGFGM-TWGQIWQCSA-N 314.305 -0.637 50 20 DBGD CN(C)[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118860226 KIOLFGXNTLZWCL-GARJFASQSA-N 311.386 -0.532 50 20 DBGD CNC(=O)NNC(=O)c1sccc1S(=O)(=O)N(C)C 1251761577 IBQRHJXWKJSYBC-UHFFFAOYSA-N 306.369 -0.428 50 20 DBGD NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCl 1253969036 YRLSIBLKTYMYSI-NSHDSACASA-N 311.769 -0.056 50 20 DBGD O=C(CN1CCC[C@H](C(=O)NC2CC2)C1)NNC(=O)C1CC1 1319323706 AYOYTTXKIMJEFE-NSHDSACASA-N 308.382 -0.466 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)C1(NC(N)=O)CC1 1319905605 MDEJXDHRYJZYRP-UHFFFAOYSA-N 312.351 -0.266 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(NC(C)=O)c1 1320231979 GKBLIQRBXJRQSH-UHFFFAOYSA-N 322.321 -0.233 50 20 DBGD COCC[C@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1322515884 GXKCKSDGTCCFQW-VIFPVBQESA-N 309.326 -0.225 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cn1 1326048754 UUFIJQYYIANIHF-PSASIEDQSA-N 317.305 -0.536 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCOC2CCCC2)N1 1329159946 VNIRUKRHHJMNSJ-NSHDSACASA-N 312.370 -0.055 50 20 DBGD C[C@H]1CCCc2ncc(C(=O)NNC(=O)C(=O)NC3CC3)n21 1332572335 JPHWKQZRWDFPDL-QMMMGPOBSA-N 305.338 -0.180 50 20 DBGD O=C(CCc1ccoc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1340108764 AOXYAZVQQMVUFD-SNVBAGLBSA-N 315.351 -0.270 50 20 DBGD CN(NC(=O)c1ncc2n1CCCC2)C(=O)N1CCNCC1 1578505829 ATPHRCRLYIHIDZ-UHFFFAOYSA-N 306.370 -0.179 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NC[C@H]1CCN1 1580576098 DWPZMIJVOWSMQH-SNVBAGLBSA-N 302.338 -0.431 50 20 DBGD CCNC(=O)N(C)NC(=O)Nc1cccc(-c2nn[nH]n2)n1 1590742184 GALKIYNKZKVSEU-UHFFFAOYSA-N 305.302 -0.041 50 20 DBGD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](F)Cl)C2)CN1 1843365814 LQYYUOOOTJNKSK-PSASIEDQSA-N 317.748 -0.140 50 20 DBGD C[C@H](C(=O)NNC(=O)Cc1ccccc1F)S(C)(=O)=O 66785488 CNPXDKSLPZZDID-MRVPVSSYSA-N 302.327 -0.051 50 20 DBGD COc1ccccc1C(=O)NNC(=O)NCC(=O)NC1CC1 67482499 GPIVKTAFFRWHHE-UHFFFAOYSA-N 306.322 -0.082 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C1CCCC1 117681348 XLYKZGWJVYEVLE-GFCCVEGCSA-N 307.354 -0.124 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCCn1cccn1 267188584 OBOVOFWGXAEZTK-LLVKDONJSA-N 313.358 -0.345 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1(C)COC1 495286530 JVHLYTSJCJIMMD-UHFFFAOYSA-N 316.358 -0.122 50 20 DBGD NC(=O)CC[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584939189 HBMUUNONXWYQBA-LLVKDONJSA-N 304.155 -0.516 50 20 DBGD CCN1CCC[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584969334 TYDPYGKBMONEFW-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD CCO[C@H]1C[C@@](O)(CNC(=O)c2cccc(B(O)O)c2)C1(C)C 584980288 VOIDPJZIJCMALX-XJKSGUPXSA-N 321.182 -0.338 50 20 DBGD CCS(=O)(=O)N(C)CCCNCc1ccccc1B(O)O 585015578 GJRSSPKYEHYDJU-UHFFFAOYSA-N 314.216 -0.872 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1COCCO1 732306024 UZXXAPWNHPBEEV-SNVBAGLBSA-N 300.336 -0.051 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 733359247 AXPMJTXLFADHBA-LLVKDONJSA-N 310.398 -0.123 50 20 DBGD O=C(NNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCC1 738134222 GZYYPNBMIOJZJX-UHFFFAOYSA-N 322.350 -0.024 50 20 DBGD CCC(=O)NNS(=O)(=O)c1cccc(-c2nnnn2C)c1 742024998 GTDAAKIHDDMZLW-UHFFFAOYSA-N 310.339 -0.403 50 20 DBGD CN1CCC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1=O 748665698 ZPIHQWAHTRQIBA-LLVKDONJSA-N 305.338 -0.425 50 20 DBGD CN(C)c1ccnc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 749942397 XUYYKNCPKUOQPW-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC(=O)N(CC(F)(F)F)C1 753823515 STTAIYJFHKEPIH-UHFFFAOYSA-N 324.303 -0.156 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cnccc1-c1ccccc1 760289093 BDSBGCNQCHALOL-UHFFFAOYSA-N 314.301 -0.173 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 764300746 WTARUAXJEUCBKQ-UHFFFAOYSA-N 317.305 -0.395 50 20 DBGD CSCCc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764421819 NWEPBYABNYCNPK-UHFFFAOYSA-N 311.363 -0.330 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(CO)CO 772211760 BYIMMMSOVHIUAM-SECBINFHSA-N 304.343 -0.898 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(OC)c1 779845656 HCBWTFQYURHKGD-UHFFFAOYSA-N 317.323 -0.639 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@]2(CCO[C@@H]2C)O1 790396931 SZPLQZVDWLAAAN-UEKVPHQBSA-N 311.382 -0.188 50 20 DBGD COC(=O)[C@@H]1[C@H]2CN([C@H](C)C(=O)NNC(=O)CC(C)C)C[C@H]21 794971505 IUVDWTBMTUGWCS-DCQANWLSSA-N 311.382 -0.081 50 20 DBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)C1CC1 849185682 LUGXSYYEPKSZCN-SECBINFHSA-N 323.440 -0.395 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)NC[C@H]1COCCN1 861682246 PTDBLCQZJYPFHF-NSHDSACASA-N 310.329 -0.313 50 20 DBGD Cn1c(O)nc2cc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)ccc21 862451589 FHOSZCRXLWOIDQ-MRVPVSSYSA-N 317.305 -0.682 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 863463707 RHHMWVUXDWMBAR-JTQLQIEISA-N 316.310 -0.679 50 20 DBGD COC(=O)[C@](C)(NC(=O)c1cc(B(O)O)ccc1F)C1CC1 863872370 FMOFEVXUBQPAPU-CQSZACIVSA-N 309.102 -0.423 50 20 DBGD CCOC(=O)CC1(S(=O)(=O)N2CC[C@H](B(O)O)C2)CC1 864232100 LEUFRYBYAILBDB-VIFPVBQESA-N 305.161 -0.649 50 20 DBGD O=C(CNC(=O)c1ccccc1)NNC(=O)C1CCOCC1 883060520 OMACUITYEQUEJQ-UHFFFAOYSA-N 305.334 -0.010 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=S)NC1CCOCC1 1319040043 SPCBPCZFRITMDT-UHFFFAOYSA-N 316.427 -0.035 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(C)c1 1321152833 YOFYMCZSYNYSJI-UHFFFAOYSA-N 309.322 -0.138 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 1326977787 GYKIRZDNYVGHBF-VIFPVBQESA-N 317.436 -0.117 50 20 DBGD O=C(NN=Cc1nc(CO)cs1)[C@H]1CN2CCC[C@@H]2CO1 1550356427 VSLZDFWPEKKOKY-GHMZBOCLSA-N 310.379 -0.051 50 20 DBGD CO[C@H]1CN[C@@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1 1574001980 UJAIIUSATNYMLG-VXGBXAGGSA-N 317.349 -0.599 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)n[nH]1 1594281140 TVHUFGSKHGDBAM-RKDXNWHRSA-N 310.310 -0.251 50 20 DBGD COc1cc(S(=O)(=O)NNC(=O)NCC(=O)O)ccc1F 1599461133 NBDXBGRXTAURLA-UHFFFAOYSA-N 321.286 -0.589 50 20 DBGD C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NNC(=O)C(=O)O 1604154307 YZXQIHAYZCYBHX-ZETCQYMHSA-N 318.330 -0.343 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(C(=O)O)n(C)c1 1604359856 XYNJOWCODOHYAO-ZETCQYMHSA-N 316.339 -0.889 50 20 DBGD O=C(N[C@H](Cc1ccncc1)C(=O)O)c1cccc(B(O)O)c1 1605729089 GPFOFGJUESKAAC-CYBMUJFWSA-N 314.106 -0.813 50 20 DBGD Cn1c(NNC(=O)[C@@H](N)CCC(=O)O)nc2ccccc2c1=O 1608092043 XUMFKNYNVWXUHO-VIFPVBQESA-N 319.321 -0.431 50 20 DBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)N1CCOCC1 1608314084 IWVFFDYGGNGMCL-VHSXEESVSA-N 315.326 -0.671 50 20 DBGD Cc1cc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCCC2)[nH]n1 270681161 QCMQDQRPRIEELP-UHFFFAOYSA-N 314.367 -0.163 50 20 DBGD Cc1nn(CCC(=O)NNC(=O)C(C)(C)O)c(C)c1[N+](=O)[O-] 276186935 DFLGTVONEFSXPT-UHFFFAOYSA-N 313.314 -0.283 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccnnc1OC 288654892 AIJODTUPCSYVDL-QMMMGPOBSA-N 313.314 -0.311 50 20 DBGD COCCN(CC(=O)NNC(=O)CO)C(=O)OC(C)(C)C 494539083 LCXNHDFUXCZFOO-UHFFFAOYSA-N 305.331 -0.990 50 20 DBGD Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)C2 584936391 HLNJARYQLWZICG-NSHDSACASA-N 317.129 -0.245 50 20 DBGD C[C@H](CCN1CCOCC1)NC(=O)c1ccc(B(O)O)c(F)c1 584945343 QGHMSFJWPCMDDO-LLVKDONJSA-N 324.161 -0.654 50 20 DBGD CCC[C@H]1C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584968967 QCVPGTNDWLIVLD-LBPRGKRZSA-N 308.118 -0.754 50 20 DBGD O=C(NCC[C@@H](O)C(F)(F)F)c1ccc(B(O)O)c(F)c1 584986053 WBHTYUKEDFVGSP-SECBINFHSA-N 309.024 -0.451 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1OCC(N)=O 732083977 CIRCGLKFQNYUGP-UHFFFAOYSA-N 317.305 -0.343 50 20 DBGD O=C(NNC(=O)c1ccc2nc(O)[nH]c2c1)C(=O)N1CCCC1 748240721 IEYSANUNIBQSTL-UHFFFAOYSA-N 317.305 -0.348 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CN1C1CC1 753944757 LKGKOKPAIPIDCG-QWRGUYRKSA-N 323.397 -0.436 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)CC1=O 755282798 QWHSJGFNZGIZGZ-VIFPVBQESA-N 307.354 -0.253 50 20 DBGD C[C@@H]1CN(c2ccc(NC(=O)NNC(=O)CO)cn2)C[C@@H](C)O1 755866060 SSNJHNXXNZXZOF-NXEZZACHSA-N 323.353 -0.160 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(-n2cccc2)c1 764430314 VHIDPVRGMWQDHG-UHFFFAOYSA-N 302.290 -0.445 50 20 DBGD CCNC(=O)N(C)N=Cc1nc2c(c(O)nc(=O)n2C)n1C 769592303 FRKPJROPWJRMNS-UHFFFAOYSA-N 307.314 -0.632 50 20 DBGD O=C(CN1CC[C@@H](CO)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 772779282 WTNPVTRELSLYAA-SNVBAGLBSA-N 322.321 -0.330 50 20 DBGD CN1CCN(C(=O)NNC(=O)C(=O)Nc2ccccc2)CC1 773659430 RFUSRRFRCUKSCB-UHFFFAOYSA-N 305.338 -0.387 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)N2CCN(C)CC2)c(=O)c1 807381516 XPJQDJAUUDWGIM-UHFFFAOYSA-N 307.354 -0.855 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)c1c(C)nc2ccccn12 814257061 DGDLJYHBCYMZDA-UHFFFAOYSA-N 318.337 -0.277 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)N1CCN(C)CC1)C(C)(C)C 830240767 NWYNRXJYLSPZGU-LLVKDONJSA-N 313.402 -0.475 50 20 DBGD COC(=O)c1ccc(NNC(=O)C2=NN3CCCN=C3N2)nc1 831292552 XFUYFEMLKSGFKQ-UHFFFAOYSA-N 317.309 -0.710 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 844302104 CUPKOUFOMISVCX-UHFFFAOYSA-N 318.337 -0.819 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CC1(Cn2cnnn2)CCCCC1 845992922 TXHPHMFMNHWIBX-UHFFFAOYSA-N 324.385 -0.068 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@]2(C3CCCC3)CCNC2=O)N1 862463853 NPHBCOOPBIGKCL-ZUZCIYMTSA-N 322.365 -0.891 50 20 DBGD CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B(O)O)cc1 863884993 DZBKYOPRLXOHGE-UHFFFAOYSA-N 322.170 -0.037 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N[C@H](CO)CN2CCCC2)cn1 908200869 BHDHPAUALDLXOJ-XMRSSTEGSA-N 303.366 -0.100 50 20 DBGD Cc1cc(=O)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c[nH]1 1116180229 YXKRPOODCTUBKB-UHFFFAOYSA-N 318.289 -0.533 50 20 DBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)Cc2cc[nH]n2)CC1 1116581600 NUPQIUVIVNQKND-UHFFFAOYSA-N 314.367 -0.686 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccn2c(O)nnc12 1320202787 LROIDXXFJPKPET-UHFFFAOYSA-N 306.282 -0.879 50 20 DBGD COc1cccnc1CC(=O)NNc1ccc(C(N)=O)nn1 1323712101 SRDPHTILCPGMRB-UHFFFAOYSA-N 302.294 -0.335 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSc1ccncc1 1329207371 GRDNUYOOSRPNEM-UHFFFAOYSA-N 303.365 -0.634 50 20 DBGD Cc1cc(C[C@H](C)NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 1329733861 AXVOJHAVPMCANP-XVKPBYJWSA-N 308.342 -0.742 50 20 DBGD CC(C)(CNC(=O)NNC(=O)c1cn[nH]c1)S(C)(=O)=O 1329737271 YRVWRQQYQPKHQX-UHFFFAOYSA-N 303.344 -0.823 50 20 DBGD Cn1nncc1NNC(=O)C1CCN(c2cnccn2)CC1 1330424901 RKTCYZMUQUZLRY-UHFFFAOYSA-N 302.342 -0.035 50 20 DBGD O=C(NC[C@H]1CCCCO1)NNC(=O)C(=O)Nc1ccccn1 1340292165 JEAVNLYUMVQCED-SNVBAGLBSA-N 321.337 -0.080 50 20 DBGD CCc1nc2cc(NC(=O)C(=O)NNC(=O)CCO)ccc2o1 1342608253 SOYFLFYSESRCGV-UHFFFAOYSA-N 320.305 -0.142 50 20 DBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cnnn1C 1347725888 VQKMFOXDUCBHGJ-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD CC(C)CC(=O)NNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588843509 MVSNSILTHIXTFV-UHFFFAOYSA-N 320.367 -0.541 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 1593909513 ZRGBMHZOXRVMPE-GMSGAONNSA-N 314.269 -0.160 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)N1 1606856112 RMNUZUAZNZUKMV-SECBINFHSA-N 323.338 -0.999 50 20 DBGD C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796362675 HOFFQSZVOLQHSO-HHKYUTTNSA-N 321.780 -0.295 50 20 DBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)O 1800751805 YDENFHYZESUXRG-SVNGYHJRSA-N 318.801 -0.026 50 20 DBGD CC(=O)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384367 KEUKAWCYPLFCFY-UHFFFAOYSA-N 324.381 -0.848 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 28715343 NRVIPTKHJCHMHP-UHFFFAOYSA-N 321.249 -0.293 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 60739683 MBVXFXNCAFHPCB-UHFFFAOYSA-N 306.278 -0.022 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)Cc2ccncc2)c(=O)c1 194795735 ROPBRMSHDQXYGP-UHFFFAOYSA-N 300.318 -0.058 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccccc1O 270588310 HWBNEGAGBIUMPC-UHFFFAOYSA-N 301.324 -0.908 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(c2nnc(O)o2)CC1 584986630 ICLLBIAFROZYPZ-UHFFFAOYSA-N 317.110 -0.525 50 20 DBGD O=C(Nc1ccn(C[C@@H]2CCOC2)n1)c1ccc(B(O)O)cc1 584990807 LGWGKSNQEBGMCO-NSHDSACASA-N 315.138 -0.148 50 20 DBGD CC(C)n1cc(CNC(=O)c2cc(B(O)O)ccc2F)nn1 584992054 KBXUUJMNDHYGAG-UHFFFAOYSA-N 306.106 -0.392 50 20 DBGD CN(C)CCN(C)CCCN(C)C(=O)c1cccc(B(O)O)c1 584993668 SLRSWDYJGHHWCN-UHFFFAOYSA-N 321.230 -0.678 50 20 DBGD O=C(CNC(=O)c1cccc(Br)c1)NCB(O)O 585056532 QGWBGOYARPLKMV-UHFFFAOYSA-N 314.932 -0.693 50 20 DBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)CNC(=O)c1ccco1 725740539 WUWKRVXGNIMZKU-UHFFFAOYSA-N 324.337 -0.681 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)c2n[nH]c(O)n2)cc1C 728203815 SRDYKKQPNCDLPD-UHFFFAOYSA-N 305.294 -0.033 50 20 DBGD CN(C)C(=O)CN1CCC(NC(=O)NNc2ncccn2)CC1 731762044 YNHVBDFKLHUSBF-UHFFFAOYSA-N 321.385 -0.345 50 20 DBGD CCCCc1nnc(SCC(=O)NNC(=O)C2CC2)n1N 742455039 BPEJBUSVYJRLLZ-UHFFFAOYSA-N 312.399 -0.016 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 746622976 HZRCZRFJZZMFIX-MRVPVSSYSA-N 300.340 -0.329 50 20 DBGD Cn1cc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 750716694 OQSNNPKVAWERJK-CYBMUJFWSA-N 316.317 -0.050 50 20 DBGD C[C@H](CN1CCN(C)CC1)NS(=O)(=O)CBr 782435218 NOYYRTFZXSGVGM-SECBINFHSA-N 314.249 -0.106 50 20 DBGD CCCN(CC(=O)NNC(=O)C1CC1)[C@H]1CC(=O)N(C)C1=O 801584277 GBIMSWRHPNDHKU-JTQLQIEISA-N 310.354 -0.987 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cnn(C)c1Cl 814834873 ACEITMNEKIHOOG-LURJTMIESA-N 307.763 -0.539 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CC[C@H](C(=O)O)C2)cc1 819096027 RYKNJARJJSQERO-LBPRGKRZSA-N 316.317 -0.274 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NNC(=O)OC(C)(C)C 821159814 HOASRPLXAXMEIE-HTQZYQBOSA-N 323.371 -0.463 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C[C@H]1C 827259228 HSGFZZZEKDBOKS-VPOLOUISSA-N 313.354 -0.107 50 20 DBGD C[C@H](C(=O)NNC(=O)c1ncccn1)n1nnnc1C(C)(C)C 841446637 WFOVMSJQJVABTP-MRVPVSSYSA-N 318.341 -0.217 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCNC(=O)c1ccco1 843648982 RTCONCSULDSION-UWVGGRQHSA-N 309.322 -0.028 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2nc(C)n(C)c2=O)n1 847008373 NGMXOEVCKNCMEU-UHFFFAOYSA-N 304.310 -0.945 50 20 DBGD C=C(CNS(=O)(=O)CCl)CNS(=O)(=O)CCl 851869301 ZUMVZDXBFNAJOE-UHFFFAOYSA-N 311.212 -0.226 50 20 DBGD C[C@@]1(CNC(=O)c2cn(CC(N)=O)nn2)C[C@H]1Br 857399517 WZLOWWYWHXSRKQ-XCBNKYQSSA-N 316.159 -0.333 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCc2cnc(N)nc2C1 857926664 VNTOSCXRNSXIBY-JTQLQIEISA-N 320.397 -0.001 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccc3c(c2)OCO3)N1 858692978 BRCMASPONJKQLD-VIFPVBQESA-N 320.305 -0.476 50 20 DBGD COC(=O)[C@H](CNC(=O)c1cccc(B(O)O)c1)CC(C)C 863874497 XIRIYHZURSDWIB-LBPRGKRZSA-N 307.155 -0.069 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1cn2cccc(C)c2n1 869909090 IPOXYVUESNZGAW-UHFFFAOYSA-N 320.349 -0.004 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@H]1OCCN(C)C1=O 901089049 NPZZMCNKEOIISB-CYBMUJFWSA-N 305.334 -0.458 50 20 DBGD COc1ccc(C(=O)NNC(C)=O)cc1S(=O)(=O)N(C)C 912694128 XARFYHZPPYTXKP-UHFFFAOYSA-N 315.351 -0.274 50 20 DBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915262472 YQSLJEVMRGFFAW-VHSXEESVSA-N 306.384 -0.370 50 20 DBGD CCNC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 920858649 AQZBOSOGZWNXEV-GUBZILKMSA-N 310.354 -0.100 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2cnnn2C)n1 1123641930 PPLJYWGCZSKWLD-UHFFFAOYSA-N 306.330 -0.841 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C 1261659865 YTBBNVPUSIRBCW-UHFFFAOYSA-N 323.231 -0.829 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1 1319298727 GSMAOGGRRHFEKQ-OUAUKWLOSA-N 314.386 -0.144 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNC(=O)Cc1cccnc1 1319920656 NNWXLIVXYFVKJF-ZANVPECISA-N 320.349 -0.953 50 20 DBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)C(C)(C)C)CC1 1327854396 FBOVKOHHKAMKHJ-UHFFFAOYSA-N 320.415 -0.644 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)c2cnn(C)c2)CC1=O 1329638002 ZSXTUFNOWLUZRV-VIFPVBQESA-N 308.342 -0.768 50 20 DBGD O=C(CO)NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 1337721100 KZFLRHLRSBQVLT-UHFFFAOYSA-N 305.290 -0.911 50 20 DBGD C[C@H](C(=O)NNC(=O)CN)N(C(=O)OC(C)(C)C)C1CC1 1575069995 SWVMAMQUVIORGT-MRVPVSSYSA-N 300.359 -0.120 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n[nH]1 1591929948 GAPLQCIMUVSCRD-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@H]1C(=O)O 1603301085 QPYGYLLYCPKYLX-QMMMGPOBSA-N 303.384 -0.318 50 20 DBGD NC(=O)NCC(=O)N1CCCC12CN(C(=O)C(Cl)Cl)C2 1847108596 DEUUTJUYTODDNE-UHFFFAOYSA-N 323.180 -0.338 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 142374423 TVRJDFWKWZYXMW-UHFFFAOYSA-N 315.249 -0.481 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc([N+](=O)[O-])cc1 269079037 VSTWSQAQFUHHJF-SSDOTTSWSA-N 302.312 -0.024 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1cc(Cl)ccn1 272420448 MOTUJLAMBSJTQE-UHFFFAOYSA-N 312.717 -0.087 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F 280084236 AFQOLZRSDMLCBR-ZETCQYMHSA-N 312.292 -0.459 50 20 DBGD CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)N(C)C 290570134 ROLGUQUWJGZYRU-MRVPVSSYSA-N 304.347 -0.172 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1COC(=O)N1 296011420 NOSQKPHTUFUEGT-RQJHMYQMSA-N 316.314 -0.845 50 20 DBGD C[C@H](C(=O)NNC(=O)N(C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 299393823 SFILICJMLNVTCI-OPRDCNLKSA-N 310.354 -0.148 50 20 DBGD CNC(=O)[C@@H]1CN(S(=O)(=O)CBr)CCO1 373310331 KPKFKOIUUCIOQU-LURJTMIESA-N 301.162 -0.885 50 20 DBGD OB(O)c1cccc(CNC[C@H]2CN3CCCC[C@H]3CO2)c1 585032458 VFAYMZOTETUGNY-HOTGVXAUSA-N 304.199 -0.291 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1 729275937 SMGJSTBSKUNKOU-SECBINFHSA-N 315.351 -0.850 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 751201787 LEYHERSEYAOSGF-VIFPVBQESA-N 322.321 -0.975 50 20 DBGD CN(CCS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C#N)cc1 753043936 USBYTABCIKJIBX-UHFFFAOYSA-N 324.362 -0.111 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cccc(F)c1C(=O)OC 757657112 VXCJSSIGSPJALE-UHFFFAOYSA-N 305.287 -0.265 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 764421293 KTEUFMNOLHGGCB-UHFFFAOYSA-N 318.289 -0.217 50 20 DBGD C[C@H]1C[C@H]1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764818964 YDLBIYSWHKJPLK-IUCAKERBSA-N 318.337 -0.808 50 20 DBGD O=C(CN[C@@H]1CCCC[C@@H]1N1CCOCC1)NNC(=O)C1CC1 769799531 HLRROGRNADGJGJ-KGLIPLIRSA-N 324.425 -0.223 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc2nn[nH]c2cc1F 781924820 GQFDOHDJGNXJHB-UHFFFAOYSA-N 303.257 -0.176 50 20 DBGD O=C(COCCNC(=O)c1ccccc1)NNC(=O)NC1CC1 784623503 LZIAEXSTSBFRMM-UHFFFAOYSA-N 320.349 -0.074 50 20 DBGD CN(CC(=O)NNC(=O)C1CC1)Cc1ncnn1CC(F)F 786206299 IBHXFURCCDFOMM-UHFFFAOYSA-N 316.312 -0.468 50 20 DBGD CC(=O)NNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 792011682 KTZOMCCXSHPFGK-NSHDSACASA-N 321.255 -0.215 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)N=c1cc[nH]cc1 795002748 NOZAQNXSPQOFOT-UHFFFAOYSA-N 311.367 -0.043 50 20 DBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ncccc2F)C1=O 804216268 GGPOUCXWXFJERR-UHFFFAOYSA-N 321.268 -0.359 50 20 DBGD COc1cccnc1CC(=O)NNC(=O)C(=O)N1CCCC1 806717542 JTUZNNYNAJRAOC-UHFFFAOYSA-N 306.322 -0.598 50 20 DBGD COCCN(C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 816562615 RXPVTYOSMQDBFB-UHFFFAOYSA-N 309.322 -0.246 50 20 DBGD COC(=O)CN(CCN1CCOCC1)S(=O)(=O)CCl 820791391 RIAABTXCUNWODD-UHFFFAOYSA-N 314.791 -0.680 50 20 DBGD CC(C)(C(=O)NNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccccc1 826926324 CORUFXOCWMADQF-JTQLQIEISA-N 318.333 -0.290 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)nn1 833086084 HGHJLCCTYBXSTL-SFYZADRCSA-N 307.310 -0.090 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@@H]2CCCNC2=O)n1 838779824 RQWDCOOVVQULLT-VIFPVBQESA-N 308.342 -0.054 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNc2ncccc2F)C1 846720868 JFGGDQASLZOVSY-QMMMGPOBSA-N 317.346 -0.119 50 20 DBGD Cn1c(CC(=O)NNC(=O)N[C@H]2CCNC2)nc2ccccc21 851672866 WJPLTNOVWOOXML-JTQLQIEISA-N 316.365 -0.192 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H]1[C@@H]1CCCO1 858701653 YFRCUTSOBVZCCB-NHCYSSNCSA-N 324.381 -0.105 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=O)[C@@H]2CCCCO2)c1 861852419 HECXBJMROFWZTM-JTQLQIEISA-N 310.310 -0.614 50 20 DBGD CC(C)(C)c1nnc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 862459714 XDOVJOXIIQXSLO-ZCFIWIBFSA-N 311.367 -0.125 50 20 DBGD O=C(N[C@H]1CCCCC12OCCO2)c1cccc(B(O)O)c1 863875778 GCYKLQGECUXEDX-ZDUSSCGKSA-N 305.139 -0.218 50 20 DBGD CC[C@@](C)(CC(=O)OC)NC(=O)c1cc(B(O)O)ccc1F 863876938 NGLPGPPRTNRUSR-AWEZNQCLSA-N 311.118 -0.033 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)C(C)(C)NS(C)(=O)=O 899995010 DPLYLHDMRFSKNB-UHFFFAOYSA-N 310.445 -0.392 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2cncn2c1 913732691 GGTUJLQJSFIJOF-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 920238818 LIBDGUFPWNWXMW-VIFPVBQESA-N 320.415 -0.213 50 20 DBGD COC[C@@](C)(NC(=O)NNC(=O)CN(C)C)C(F)(F)F 932328807 ADDUJFRLSLFWFB-SECBINFHSA-N 300.281 -0.154 50 20 DBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1ccc(-n2cnnn2)cc1 1261216370 SGWZDNZIWFKHHH-ZDUSSCGKSA-N 320.284 -0.448 50 20 DBGD COc1cccc(C(=O)NNS(=O)(=O)c2cnc[nH]2)c1O 1318727406 MDUGJZNHYPUZMX-UHFFFAOYSA-N 312.307 -0.253 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(Cn2cccn2)o1 1323582434 GVEGVYGZXCDCJJ-UHFFFAOYSA-N 319.321 -0.190 50 20 DBGD Cc1cc(C(=O)NNC(=O)N(C)C)ccc1S(N)(=O)=O 1328899519 KBTYLULSLNTVCF-UHFFFAOYSA-N 300.340 -0.442 50 20 DBGD Cc1cc(C)n2ncc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c2n1 1331689863 DPCLNEMMWDAKGE-JTQLQIEISA-N 316.321 -0.614 50 20 DBGD CCc1nocc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1331780771 QCKJZKZZUFQJMV-SSDOTTSWSA-N 301.324 -0.567 50 20 DBGD CN1CCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591190541 HKROQBCYMXHOJA-NSHDSACASA-N 315.337 -0.278 50 20 DBGD CC1(CNC(=O)NNC(=O)C(=O)O)CCC2(CC1)OCCO2 1594019604 KKDOECSYFHNOJM-UHFFFAOYSA-N 315.326 -0.275 50 20 DBGD CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)COC1 1847339380 XSQWFPMMWKSRQX-GARJFASQSA-N 316.785 -0.176 50 20 DBGD O=C(Cc1ccsc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 126046359 YMVMPSVVJZNHHB-VIFPVBQESA-N 317.392 -0.192 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](CO)O1 319809138 XLYNGQVPNABMMD-YPMHNXCESA-N 307.350 -0.471 50 20 DBGD CCOC(=O)N[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 493933119 BPMTUXFAJNBJRS-NSHDSACASA-N 312.370 -0.246 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 584999499 VHOGCXXBMKSMFQ-DMTCVQMQSA-N 303.098 -0.469 50 20 DBGD CN1C[C@@H]2CCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@@H]2C1 585000242 HNRMYVAWIFIPTM-SMDDNHRTSA-N 306.146 -0.328 50 20 DBGD CN(CCCNS(=O)(=O)CCCCl)S(C)(=O)=O 692479953 XHLYNTFUXKMZIE-UHFFFAOYSA-N 306.837 -0.184 50 20 DBGD CCNC(=O)NNC(=O)COCCNC(=O)OC(C)(C)C 732553240 MVVREODTDGEFHF-UHFFFAOYSA-N 304.347 -0.122 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O)n1 746823146 VPSGEXBDTBAPGN-QMMMGPOBSA-N 316.383 -0.672 50 20 DBGD COC(=O)c1cncc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755283620 ZZFKKPIDCNXONJ-UHFFFAOYSA-N 303.278 -0.405 50 20 DBGD COCCN1C[C@@H](C(=O)NNc2ncccc2[N+](=O)[O-])CC1=O 759301798 DIYQJQUNTAQEDR-VIFPVBQESA-N 323.309 -0.072 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCS1(=O)=O 772413766 ZARBLYBFNAPWPU-RKDXNWHRSA-N 320.367 -0.557 50 20 DBGD CC[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccc(C)c1 777587967 BHPTVWSKHSEDRF-CYBMUJFWSA-N 318.377 -0.034 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCC[C@H]1CCO 779713223 KQRLGYANLIPPBX-GRYCIOLGSA-N 317.386 -0.081 50 20 DBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)c(OC)c1 782121175 MHKQDDRBLOKLAU-UHFFFAOYSA-N 309.278 -0.412 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 785022530 YIFNRXXJBQPQRM-NSHDSACASA-N 309.297 -0.027 50 20 DBGD COC(=O)c1ccc(NNC(=O)C2(S(C)(=O)=O)CC2)nc1 792277190 NYFLCBVETJVFKZ-UHFFFAOYSA-N 313.335 -0.112 50 20 DBGD C[C@H](O)CN1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C)C1 800374191 KPYDKJQVRGVCPY-RYUDHWBXSA-N 314.430 -0.433 50 20 DBGD O=C(Cn1nnc2ccccc2c1=O)NNc1ncncc1F 817077867 SBQZHBWHGMLMIE-UHFFFAOYSA-N 315.268 -0.136 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC(=O)N1CCCCC1 825709904 VMAJPOIGBDJMLR-WDEREUQCSA-N 312.370 -0.246 50 20 DBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCNC1 851672404 JQVRBKSWTPGSOB-JTQLQIEISA-N 306.322 -0.236 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)COc1ccccc1OC 854191096 UNLKVGSCOGRGKH-LBPRGKRZSA-N 312.322 -0.117 50 20 DBGD CCC[C@H](C(=O)NNC(=O)CC(F)(F)F)S(N)(=O)=O 855000262 DWFUYHPNASMPRV-RXMQYKEDSA-N 305.278 -0.457 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccnc2ccnn12 860348405 UCNDZJAUYVATKZ-MRVPVSSYSA-N 305.294 -0.168 50 20 DBGD CN(C)CCc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862460800 GXBNHDVCTCMFRX-CYBMUJFWSA-N 318.377 -0.170 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2[nH]ncc12 863090245 DZWMQNXWRRUWIG-MRVPVSSYSA-N 309.351 -0.049 50 20 DBGD CS(=O)(=O)CC(=O)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 863465726 DYLCRHBFMABYPK-YHNJSNKWSA-N 324.402 -0.428 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N1CC[C@H](B(O)O)C1)C2 864231732 RBVBSAXTWPHZSV-YFKTTZPYSA-N 308.143 -0.295 50 20 DBGD C[C@@H](O)CN(C)NC(=O)Cn1ccc(Br)cc1=O 910182949 KGHFPBUCRJNNJU-MRVPVSSYSA-N 318.171 -0.045 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cnc2n1CCCC2 913731258 AUOCIHHTBJOJSZ-UHFFFAOYSA-N 305.338 -0.397 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)OC)c1 917720841 SJIBWNFJSAGVMO-UHFFFAOYSA-N 302.308 -0.102 50 20 DBGD Cn1cnnc1COCC(=O)NNC(=O)NCc1ccco1 1117706960 SBHHYCDIJAYBCR-UHFFFAOYSA-N 308.298 -0.545 50 20 DBGD Cn1cnc(NC(=O)C(=O)NNC(=O)CCc2ccccc2)n1 1324289418 YTXIAOJWUNOBLR-UHFFFAOYSA-N 316.321 -0.466 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1CCCS1(=O)=O 1329065530 BVGXPGQCFJYGMA-YFKPBYRVSA-N 303.262 -0.544 50 20 DBGD CS(=O)(=O)CCC=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 1549903664 BVHKMHCVJBIJHC-MNOVXSKESA-N 303.384 -0.614 50 20 DBGD CC(C)CC(=O)NNC(=O)N=c1nc(C2CCNCC2)[nH]n1C 1575524014 ZEHUGQUGSSBRAN-UHFFFAOYSA-N 323.401 -0.097 50 20 DBGD O=C(NNC(=O)c1cnn([C@H]2CCCNC2)c1)c1cn[nH]c1 1580736971 FMYQZRSPCCOCRF-NSHDSACASA-N 303.326 -0.395 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1590744545 RQEKASNMBXINBM-UHFFFAOYSA-N 311.327 -0.621 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@@H](C[C@H]1CCCO1)C(=O)O 1594712530 QMTBZPUGMPMGHC-AEJSXWLSSA-N 301.343 -0.456 50 20 DBGD COCCOCC(=O)NNC(=O)Nc1ccc(C(=O)O)nc1 1599247207 JLLGJFMFMJYILL-UHFFFAOYSA-N 312.282 -0.405 50 20 DBGD O=C(O)CCNC(=O)CCNC(=O)NNc1ncccc1F 1602020696 MRKFAJBVXYTNJJ-UHFFFAOYSA-N 313.289 -0.172 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(C(=O)O)co1 1602987712 WOQIAFGDMNKIKQ-ZETCQYMHSA-N 317.323 -0.244 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCS1)c1cnccc1-c1nn[nH]n1 1606851581 DILLUFINUSWXJG-VIFPVBQESA-N 319.350 -0.082 50 20 DBGD O=C(NCc1ccnc(N2CCCCC2)c1)NNC(=O)C(=O)O 1608473111 ZGZIABKHXZGWNT-UHFFFAOYSA-N 321.337 -0.013 50 20 DBGD O=C(NCc1nncn1-c1ccccc1)NNC(=O)C(=O)O 1610699296 RDRAURDANMCTBC-UHFFFAOYSA-N 304.266 -0.818 50 20 DBGD O=C(NCCOc1cccc(F)c1)NNC(=O)C(=O)NC1CC1 47066764 WFGBTXCFFDTSPE-UHFFFAOYSA-N 324.312 -0.187 50 20 DBGD COc1ccnc(NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)n1 272544644 YGSMYMCLLKSLOA-GMSGAONNSA-N 309.326 -0.796 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ns1 277635757 BSUCJTPRLMBWPH-ZCFIWIBFSA-N 306.369 -0.850 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNc2cnccn2)c(=O)c1 279278917 LHSKMWSKMRYTRT-CQSZACIVSA-N 303.322 -0.159 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@H](C)S(C)(=O)=O)cc1 298598957 ZHULFWTZUKFIFU-JTQLQIEISA-N 314.363 -0.046 50 20 DBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)N(C)C 299358966 IFROLZGPVNXFKV-SSDOTTSWSA-N 320.396 -0.283 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 495174565 OJZPLKZNMJRZSL-LBPRGKRZSA-N 321.333 -0.073 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 496473629 PSCJGESIPSOBJN-PRHODGIISA-N 307.306 -0.118 50 20 DBGD O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(B(O)O)ccc1F 584929131 IEWXJIAXQGTRIW-KGLIPLIRSA-N 306.146 -0.138 50 20 DBGD O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(B(O)O)c1 584930632 OOCABCBBSVHORM-CYBMUJFWSA-N 302.139 -0.750 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@@H]1c1ncon1 584969800 XMWHXCXNYRLVPK-LLVKDONJSA-N 321.073 -0.898 50 20 DBGD COc1ccc(OC)c([C@H](O)CNCc2ccc(B(O)O)o2)c1 585013967 DUTJSXJGQKIJKK-CYBMUJFWSA-N 321.138 -0.200 50 20 DBGD C[C@@H](C(=O)NNC(=O)C1CC1)N1C(=O)NC2(CCCC2)C1=O 726521770 RKFHWYFAHPDHRV-QMMMGPOBSA-N 308.338 -0.203 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)Cc1cccnc1 728851485 FDLUYMAKIALIEK-UHFFFAOYSA-N 313.379 -0.158 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNc1nccc(OC)n1 733891126 OJCUFFZXQGSNDH-UHFFFAOYSA-N 317.371 -0.400 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)NC1CCCC1 744053317 UPDBLYOGVXLHSW-UHFFFAOYSA-N 318.399 -0.315 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)N1CCOCC1)CCCC2 765331212 PUAXEQNBFSNBSH-UHFFFAOYSA-N 307.354 -0.015 50 20 DBGD CCNC(=O)N(C)NC(=O)CNS(=O)(=O)CCOC(C)C 780709361 LJZZHSDUTVMJLF-UHFFFAOYSA-N 324.403 -0.977 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc3nn[nH]c3cc2F)cn1 781933082 FYVQAOINAQLMNM-UHFFFAOYSA-N 303.257 -0.095 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)O[C@@H](CO)C2)c1 787314251 FBLHAVHJDPCDII-GXTWGEPZSA-N 321.377 -0.162 50 20 DBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)C1 788169486 PIZJYFMYOUGNKK-GFCCVEGCSA-N 311.386 -0.767 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)n1cnc(C#N)n1 798968984 SEAOHCVSNCQURD-MRVPVSSYSA-N 321.341 -0.837 50 20 DBGD CC[S@@](=O)CC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 803473254 PHZQSYNXZQLJKI-GSDQLPOLSA-N 306.384 -0.120 50 20 DBGD COC(=O)COCC(=O)OCC(=O)NNC(=O)c1ccccc1 803804099 HCITUDBRPIEYJG-UHFFFAOYSA-N 324.289 -0.820 50 20 DBGD O=C(COC(F)F)NNc1nccc(N2CCOCC2)n1 807076187 WHLDBPQYPAOMFX-UHFFFAOYSA-N 303.269 -0.005 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](CC(=O)O)[C@H]1C 814835509 SLLCVSZODOJPAA-VGMNWLOBSA-N 319.383 -0.083 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 823987410 HVRARNYFSHQFRA-ZIIUWJBSSA-N 307.350 -0.863 50 20 DBGD CC(C)C(=O)NCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825582865 GRUPQMAFPLSCBL-UWVGGRQHSA-N 300.359 -0.486 50 20 DBGD COC(=O)c1nc(Cl)ccc1S(=O)(=O)NNC(=O)O 831466897 LRUBFKZTQQIUQJ-UHFFFAOYSA-N 309.687 -0.018 50 20 DBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)[C@H]1CCO[C@@H]1C 842590715 QZGGWFDGYJYTLF-BDAKNGLRSA-N 302.356 -0.537 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](c1cncn1C)N(C)C 843970867 MHCLDOVKUIZHLQ-UMNHJUIQSA-N 309.370 -0.405 50 20 DBGD O=C(NNc1nc2ccccn2n1)[C@H]1CCCS(=O)(=O)C1 846003949 VTQDPVHOPPCZMA-VIFPVBQESA-N 309.351 -0.003 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 847421031 JORCAUJUSJJQAX-SFYZADRCSA-N 324.362 -0.863 50 20 DBGD CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NNC(=O)c2cc[nH]n2)C1 855357052 YXZDHWPQUHXVSP-SECBINFHSA-N 323.309 -0.343 50 20 DBGD COc1cc(F)cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858338142 CKKLWCMLGMMFJO-LLVKDONJSA-N 324.312 -0.057 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC(F)(F)C(F)(F)C2)N1 858701237 UXFWJPYFXJHHSA-RXMQYKEDSA-N 312.223 -0.408 50 20 DBGD CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)CCl 859308323 JBATYVGHNPOGQB-HTQZYQBOSA-N 304.821 -0.038 50 20 DBGD COCCc1ccnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 861109451 SOLXMFNGBQAIHQ-SNVBAGLBSA-N 321.337 -0.298 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)c1 861946152 MAFIWVNDJYCMAR-LLVKDONJSA-N 318.333 -0.332 50 20 DBGD C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452348 DRHNYMXXAFPTTH-HBNTYKKESA-N 313.354 -0.613 50 20 DBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cn[nH]c1)CS2 862473721 ZORCMSZNBWZGNS-PRHODGIISA-N 309.351 -0.375 50 20 DBGD CS(=O)(=O)CC(=O)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 863465720 DYLCRHBFMABYPK-GCXGXSGTSA-N 324.402 -0.428 50 20 DBGD CC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863889754 FQZMRYURZJUTSB-CQSZACIVSA-N 304.155 -0.503 50 20 DBGD C[C@]1(C(=O)NC[C@H](O)Cn2ccnn2)C[C@H]1Br 909915438 SRHJYCZPHAGYKS-XKSSXDPKSA-N 303.160 -0.071 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=COCCO2)cc1 916830264 HHGPWJZAIKCQEF-UHFFFAOYSA-N 305.290 -0.031 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)c2n[nH]c(O)n2)c1 918278317 ZAXGIFJRVLXFEV-UHFFFAOYSA-N 307.266 -0.398 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H]1CSCC(=O)N1 934830420 UHGBEKGGTOPGII-NSHDSACASA-N 307.375 -0.083 50 20 DBGD COCC(=O)NCCC(=O)NNc1ccc(-n2ccnc2)nn1 1117277825 MYOCTAGFVJXPRV-UHFFFAOYSA-N 319.325 -0.742 50 20 DBGD COc1ccc(NC(=S)NNC(=O)CCNC(N)=O)cn1 1329836527 YGOIJPIZNBVTPS-UHFFFAOYSA-N 312.355 -0.534 50 20 DBGD O=C(NNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)C1CC1 1330183190 DHEDCUTZEVFCFG-RNFRBKRXSA-N 314.285 -0.233 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1CCCCCN1 1579052393 JMWQQJDQQYJNDQ-RYUDHWBXSA-N 316.402 -0.100 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 1588870072 WOWBWDHTQDHSCJ-UHFFFAOYSA-N 316.730 -0.151 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1591195065 QQNBQVVXSSKYIQ-VIFPVBQESA-N 304.314 -0.965 50 20 DBGD C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982512 GFACHEAMZGENCI-NOHGZBONSA-N 316.785 -0.248 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)Cc2cnn(C)c2)C[C@@H](C)O1 111545266 FQGYXAPGWDCQCC-VXGBXAGGSA-N 323.397 -0.391 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2c(C)oc3nc[nH]c(=O)c23)[nH]n1 151190723 KATLGPIJNPBBRO-UHFFFAOYSA-N 316.277 -0.069 50 20 DBGD COc1cc(CC(=O)NNC(=O)N2CCN(C)CC2)ccc1O 295545191 WORGMEVHXIYEQJ-UHFFFAOYSA-N 322.365 -0.069 50 20 DBGD CN(Cc1cnn(C)c1)C(=O)COc1ccc(B(O)O)cc1 584910258 YJAZGNUTPCKPAU-UHFFFAOYSA-N 303.127 -0.863 50 20 DBGD C[C@H]1OCC[C@@]12CN(C(=O)c1cccc(B(O)O)c1)CCO2 584985905 SDYNOCCKTSQYJD-IAQYHMDHSA-N 305.139 -0.614 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN[C@@H](c2cccnc2)C1 584986770 MKOOTJACHBIJJZ-OAHLLOKOSA-N 311.150 -0.452 50 20 DBGD O=C(NCC[C@@]1(O)CCCOC1)c1ccc(B(O)O)c(F)c1 585004957 SPNYELRANXOCPU-AWEZNQCLSA-N 311.118 -0.833 50 20 DBGD CN(C)C(=O)CN1CCC(NCc2ccccc2B(O)O)CC1 585020101 NOCVHSFKMJLPLP-UHFFFAOYSA-N 319.214 -0.991 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)c1ccccc1 726864995 NKYVARGSOKWAAD-UHFFFAOYSA-N 302.290 -0.612 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1ccc2ccccc2n1 727064570 ANEOKZLFDSXYNU-UHFFFAOYSA-N 303.347 -0.171 50 20 DBGD CCNC(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744384178 HOJWWCKUHYRHCN-UHFFFAOYSA-N 313.402 -0.473 50 20 DBGD O=C(NNC(=O)[C@@]12CCC(=O)N1CCS2)N1CCOCC1 745987602 ASBIVAQVSPAYJM-LBPRGKRZSA-N 314.367 -0.875 50 20 DBGD CC(C)OCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758034524 GUOZIIYWTNTWQL-SECBINFHSA-N 309.388 -0.723 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNc1ncc(F)cn1 762105991 POONTMORNQMYNC-UHFFFAOYSA-N 305.335 -0.270 50 20 DBGD COc1cc(C)cc(C(=O)NNC(=O)C(=O)NC(C)C)c1O 769622317 VKHQBVLXAQTGEE-UHFFFAOYSA-N 309.322 -0.005 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)o1 769746738 NVDRPQMYQKZRHX-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD O=C(CN[C@@H](CO)C1CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 771814743 UAKHODVWMHMDNN-LBPRGKRZSA-N 322.321 -0.284 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)N1CCSCC1 772217120 YOFSUWUDLOXVDH-NXEZZACHSA-N 317.411 -0.087 50 20 DBGD C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CO1 784295257 DPABKERMQSZCCC-GXSJLCMTSA-N 316.321 -0.152 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H](C)O[C@H](CO)C2)c1 787314252 FBLHAVHJDPCDII-JSGCOSHPSA-N 321.377 -0.162 50 20 DBGD O=C(COC(=O)C1CC1)NNC(=O)[C@H]1COc2ccccc2O1 798179296 NTLZEFFKLDWFNC-GFCCVEGCSA-N 320.301 -0.073 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)c2cnnn2C)c1 798351798 BTARBFYGIJXWAC-UHFFFAOYSA-N 305.294 -0.093 50 20 DBGD Cc1nc2ccccc2c(=O)n1CC(=O)NNc1cnnn1C 816771854 CWGUPHGTVSSKAQ-UHFFFAOYSA-N 313.321 -0.023 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 819721382 RGTQXESMERVAJU-SECBINFHSA-N 314.390 -0.942 50 20 DBGD CN1CCN(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 826038667 UBYJOSXBIDKAOZ-UHFFFAOYSA-N 316.369 -0.443 50 20 DBGD Cc1nc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)n[nH]1 831794399 KQMUAJSKLFCPOH-UHFFFAOYSA-N 312.330 -0.672 50 20 DBGD NCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 843445341 ZADCYVDTPSRAOQ-UHFFFAOYSA-N 314.367 -0.891 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)Cn1nnc2c1CCCC2 847452496 NDKXIDMBTIFHOI-UHFFFAOYSA-N 303.326 -0.730 50 20 DBGD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1 852308390 DAFUBACMLWHJTR-GMSGAONNSA-N 309.301 -0.311 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 854926189 WROXQBCSUPBQNQ-LURJTMIESA-N 312.317 -0.136 50 20 DBGD CNC(=S)N(C)NC(=O)Cn1nnnc1-c1ccsc1 854928113 XIGGOOMRBDSMPZ-UHFFFAOYSA-N 311.396 -0.131 50 20 DBGD COC[C@](C)(O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855831948 NVCAKZJKSZWNFG-AWEZNQCLSA-N 317.386 -0.526 50 20 DBGD CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858538625 OZMYUUPCHPMWHA-BXGCZWRVSA-N 312.370 -0.201 50 20 DBGD COc1cccc2c(C(=O)NNC(=O)[C@H]3CCC(=O)N3)n[nH]c12 862463069 XPIQSVCTXUOSPX-MRVPVSSYSA-N 317.305 -0.389 50 20 DBGD CO[C@H](CC(C)C)CS(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863412340 DCXCTAXUWJBDPR-ZJUUUORDSA-N 321.399 -0.723 50 20 DBGD C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)CS(C)(=O)=O 863459604 WLOSWQLUBDIASN-MRVPVSSYSA-N 318.326 -0.215 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CC(=O)c2ccccc21 863464243 ABZGFHPQDKFVIQ-SNVBAGLBSA-N 310.331 -0.451 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)C(=O)OC(C)(C)C 1118311562 CYMMIXLYTPCQAV-SSDOTTSWSA-N 303.315 -0.532 50 20 DBGD Cc1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)n(C)n1 1323071123 YALFILXIVXGNLY-GFCCVEGCSA-N 315.399 -0.390 50 20 DBGD Cc1nsc(C)c1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1324431389 LIDXMPVLDGQNHL-QMMMGPOBSA-N 317.392 -0.044 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1ncc(F)cn1 1324549928 JKPTUEUQRKUGCP-QMMMGPOBSA-N 320.371 -0.021 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)c1ccc2nnc(O)n2c1 1326978908 QHSRWUCHVYNBMB-UHFFFAOYSA-N 318.215 -0.059 50 20 DBGD CCn1nc(C)c(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 1329531037 PTHSIKVQIAVPOT-NSHDSACASA-N 307.354 -0.512 50 20 DBGD CCc1cnc(O)c(C(=O)NNC(=O)CS(C)(=O)=O)c1 1329588399 JYVWXMGIBMICMY-UHFFFAOYSA-N 301.324 -0.845 50 20 DBGD CN(C)CC[C@@H](N)C(=O)NNc1nc(-c2ccncc2)no1 1332742033 CXPHCTJGERJIOK-SNVBAGLBSA-N 305.342 -0.146 50 20 DBGD CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C2 1334933212 GLXPITKOPXVFAY-GARJFASQSA-N 309.370 -0.779 50 20 DBGD N#CCOc1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1335329556 LSEBBCFAEUANLQ-LBPRGKRZSA-N 316.317 -0.443 50 20 DBGD C[C@H]1CC(NC(=O)NNC(=O)C(=O)N2CCCC2)C[C@H](C)O1 1341508541 NUXZZXVLULNIPF-UWVGGRQHSA-N 312.370 -0.105 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-c3cnn[nH]3)cn2)nn1 1577653298 QIMFQWOKCPYCJX-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD NCCCOC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 1580299514 YQNVSNFTQLKRPI-UHFFFAOYSA-N 324.161 -0.525 50 20 DBGD NCCCn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1 1580306667 POWXOPNQMKVCIH-UHFFFAOYSA-N 320.328 -0.230 50 20 DBGD O=C(O)CC1(NC(=O)c2cccc(B(O)O)c2)CCOCC1 1594982898 CQSIEDWBBBMHCN-UHFFFAOYSA-N 307.111 -0.880 50 20 DBGD O=C(NNc1ncccc1C(=O)O)C1=C2CCCN=C2NN1 1595261754 IYLDLUAMIHDUGR-UHFFFAOYSA-N 302.294 -0.223 50 20 DBGD CCn1ncc2ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc21 1597962269 FSDYGEJMSMCYDS-UHFFFAOYSA-N 319.277 -0.773 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 1599248357 WKNDCJZGBYNLLO-NXEZZACHSA-N 302.327 -0.312 50 20 DBGD O=C(NCc1ccc(N2CCOC2=O)cc1)NNC(=O)C(=O)O 1601540350 WYVGKXGFGOQTNB-UHFFFAOYSA-N 322.277 -0.442 50 20 DBGD N[C@@H](CC(=O)O)C(=O)NNc1ncc(Br)cn1 1608265338 YCFZRFWEVLMENU-YFKPBYRVSA-N 304.104 -0.516 50 20 DBGD Cn1ncc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1N 1609482329 VGFMFDHDFOEWSG-UHFFFAOYSA-N 311.309 -0.054 50 20 DBGD O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 17083877 HHNZCSKSWRHZAH-UHFFFAOYSA-N 306.278 -0.022 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)S(C)(=O)=O 45877101 GNLMNRGVOCASAQ-QMMMGPOBSA-N 302.327 -0.051 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCc2c(C)nc(C)[nH]c2=O)[nH]n1 153218421 LNPQGYLDPWPXFE-UHFFFAOYSA-N 318.337 -0.188 50 20 DBGD CC(C)c1nnnn1CC(=O)NNC(=O)Cc1cccnc1 173385924 HUZIQYUWRKZGDL-UHFFFAOYSA-N 303.326 -0.418 50 20 DBGD CN(NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(N)=O 272178637 LCVPIZUCQCZBCJ-QMMMGPOBSA-N 302.331 -0.336 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 276668124 UNHWSVUVUMCLDA-NWDGAFQWSA-N 321.333 -0.446 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N(C)C2)cc1 282651801 HKKNQEHOMVVUBM-JTQLQIEISA-N 318.333 -0.441 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)CC1 283037341 ZEAQAJWVEUZRMF-CYBMUJFWSA-N 304.350 -0.022 50 20 DBGD C[C@H](CO)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 298613414 UCJDHJLCNFKPPG-SECBINFHSA-N 310.310 -0.332 50 20 DBGD CCN1CCO[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)C1 367744264 LIYGCALGDZCMSD-NSHDSACASA-N 317.353 -0.174 50 20 DBGD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NNC(=O)CN(C)C 495778645 ANEJXSMBDMUNGZ-VIFPVBQESA-N 302.375 -0.144 50 20 DBGD CC(C)OC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCO1 584976349 IXENQFTUOGLYOU-AWEZNQCLSA-N 307.155 -0.368 50 20 DBGD O=C(NC[C@H](CO)Cc1ccncc1)c1cccc(B(O)O)c1 584985005 FKYVDTFSEJUSPD-CYBMUJFWSA-N 314.150 -0.658 50 20 DBGD O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc(B(O)O)c(F)c1 584991484 ZNJBQSNZOJHXDR-SECBINFHSA-N 303.102 -0.484 50 20 DBGD CCCN1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 585002663 CDJHWPVAFZXSNR-JTQLQIEISA-N 308.118 -0.754 50 20 DBGD OB(O)c1ccc(CNCc2ccnc(O[C@@H]3CCOC3)c2)o1 585034914 VIPOFLQWHUQQAO-CYBMUJFWSA-N 318.138 -0.188 50 20 DBGD O=C(NCB(O)O)c1cc2c(cc1Br)OCO2 585062552 KKTXXWGVYNIZLA-UHFFFAOYSA-N 301.889 -0.080 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccncc1 729274265 HSDAHJQBVRMYEF-VIFPVBQESA-N 314.367 -0.901 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)Cn1cccnc1=O 730779520 CQJVRTKZKVQXFX-UHFFFAOYSA-N 318.289 -0.825 50 20 DBGD O=C(CO)NNC(=O)Nc1ccccc1C(=O)N1CCOCC1 755625242 WSYIVAOHGCLQNO-UHFFFAOYSA-N 322.321 -0.696 50 20 DBGD O=C(NCCCF)NNC(=O)c1ccc(-n2cnnn2)cc1 767937203 HKODJJJCZXFYFS-UHFFFAOYSA-N 307.289 -0.034 50 20 DBGD CN(NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C(N)=O 770436703 PRQADOPDEIROFR-UHFFFAOYSA-N 302.294 -0.374 50 20 DBGD CN1CCN(CC(=O)NNc2cccc([N+](=O)[O-])c2)CC1=O 780948113 CXSCERPEHVPLFG-UHFFFAOYSA-N 307.310 -0.188 50 20 DBGD N=C1NC(=O)[C@H](CC(=O)NNc2nc3ccccn3n2)S1 791255383 AUDUQGKCHBQENF-LURJTMIESA-N 305.323 -0.271 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C(N)=O)CC2)cc1 801110389 XVEDDZQMJZXHPS-UHFFFAOYSA-N 304.306 -0.654 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(NC(N)=O)cc2)CC1 807381535 YFMOJLNGHKPGAF-UHFFFAOYSA-N 320.353 -0.221 50 20 DBGD CCN(CCO)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 823834095 RDZUNBXYBLJGRH-UKJIMTQDSA-N 307.350 -0.861 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)Cc1cn2ccccc2n1 829504460 OJQFHEWAOZBIHA-LLVKDONJSA-N 306.322 -0.314 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CC12CCNCC2 831180626 PXVPXSRKHLXJCR-GHMZBOCLSA-N 314.386 -0.490 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 843646625 JSCRAPGCVMLDBH-PSASIEDQSA-N 324.293 -0.671 50 20 DBGD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1 844110999 CGUDNXFWBNJEBT-XKFUZFNKSA-N 318.333 -0.291 50 20 DBGD COC(=O)c1cccc(NNC(=O)Cn2nc(C)n(C)c2=O)c1 847693097 BWWHJYKJIWICSC-UHFFFAOYSA-N 319.321 -0.180 50 20 DBGD COC[C@@H](OC)C(=O)NNc1nccc(N2CCOCC2)n1 857152830 HMZBEDAJMSFXPI-SNVBAGLBSA-N 311.342 -0.582 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 857271945 DGTYAKINWHDKKK-DTORHVGOSA-N 306.326 -0.567 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1nn(C)c2ccccc12 857433136 REZHOMNFUOYFGI-UHFFFAOYSA-N 317.349 -0.212 50 20 DBGD COCC[C@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccco1 858355584 UOIBMLNATXOJLJ-VHSXEESVSA-N 324.337 -0.034 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1cc(C)cs1 862477870 OZKNBGZJSFBPSD-UHFFFAOYSA-N 312.351 -0.930 50 20 DBGD O=C(O)COc1cccc(C=NNC(=O)[C@H]2CCC(=O)N2)c1 863148955 NSYDKTYUESLWIC-LLVKDONJSA-N 305.290 -0.121 50 20 DBGD COc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)nc1Cl 863465273 ZTIOAGZCZRJFPG-UHFFFAOYSA-N 321.742 -0.451 50 20 DBGD COC(=O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H]1C 863879859 FMDPSIYTCNCAAA-PSASIEDQSA-N 309.102 -0.471 50 20 DBGD NC(=O)COc1ccc(NCc2cccc(B(O)O)c2)cc1 864019557 JOAWKVACPUNKGQ-UHFFFAOYSA-N 300.123 -0.157 50 20 DBGD COC(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 864232053 VVEAVVSREWLROJ-SECBINFHSA-N 313.140 -0.289 50 20 DBGD O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)CN1CCCC1=O 920825511 BSEUFGFHNGQPEI-UHFFFAOYSA-N 320.305 -0.093 50 20 DBGD CCCNC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 921038255 NHKGSSUHTFQDDO-JTQLQIEISA-N 320.415 -0.212 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N(C)Cc1nc(CCOC)no1 1116339726 LGIZGOKPUAGDOA-SECBINFHSA-N 313.358 -0.364 50 20 DBGD CCCn1cc(C(=O)NNC(=O)C(=O)NC(CC)CC)nn1 1116426654 HYLKTEIBILQNJP-UHFFFAOYSA-N 310.358 -0.246 50 20 DBGD CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1118943475 ODDWTNTVCCCFFI-NSHDSACASA-N 304.306 -0.315 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(OCC(N)=O)cc1 1118952287 BPAITZNTYPUNKQ-UHFFFAOYSA-N 313.335 -0.955 50 20 DBGD CN(CC(=O)NNc1nc(O)c2cnn(C)c2n1)C(=O)C1CC1 1319289838 GRMQGTCAIPCUIN-UHFFFAOYSA-N 319.325 -0.620 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 1322104148 LPBHLLJJLXUUFZ-UHFFFAOYSA-N 320.227 -0.167 50 20 DBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccnc(O)c1 1322325518 HJYWWMCOZAWIRE-JTQLQIEISA-N 312.351 -0.003 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@]1(F)CCOC1 1323261187 JCYJJFZXWWMXOH-CYBMUJFWSA-N 310.285 -0.913 50 20 DBGD CNC(=O)CCCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1326111784 OEFFASAHVCGAPC-JTQLQIEISA-N 305.400 -0.605 50 20 DBGD CC(C)n1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)cn1 1327588992 CDOIJZSEFCAVEW-MWLCHTKSSA-N 323.353 -0.025 50 20 DBGD CCn1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1 1331296197 LJNPLLNPPMGFCK-SECBINFHSA-N 314.367 -0.593 50 20 DBGD CN1CCNC[C@@H]1C(=O)NNc1ncc(Br)cn1 1342078201 VGNIIRHISRYIDV-MRVPVSSYSA-N 315.175 -0.414 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1345724566 ZPHXIYIINJNVOF-UWVGGRQHSA-N 300.359 -0.486 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1345733787 UNBLUYRTZCKBJC-NGZCFLSTSA-N 310.354 -0.495 50 20 DBGD COC(=O)[C@H]1CNCCCN1C(=O)/C(C#N)=C\c1cnn(C)c1 1578797689 SNYBCVLOPZGLDY-MVXISAMASA-N 317.349 -0.309 50 20 DBGD Cn1cc(C(=O)NNC(=O)/C=C/[C@@H]2CCCNC2)ccc1=O 1579953382 WRLGKIAQTNQMOU-MALLOTDXSA-N 304.350 -0.298 50 20 DBGD CCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 1590744787 ZGECLQCOMYNHCG-MRVPVSSYSA-N 319.325 -0.016 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCN(CCC(=O)O)C[C@@H]1C 1590939533 YQPPIDHNARGKJV-NSHDSACASA-N 314.386 -0.729 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)NOC[C@@H]1CCOC1 1593165232 YDYOILPCHBWFRP-MRVPVSSYSA-N 320.313 -0.144 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)c(C)cc1C 1599430292 UJRFAVLFWUUNBT-UHFFFAOYSA-N 309.278 -0.517 50 20 DBGD O=C(O)[C@H](Cc1ccc(F)cc1)NNC(=O)[C@@H]1COCCO1 1601662182 WOSICBQSCQFPLS-RYUDHWBXSA-N 312.297 -0.142 50 20 DBGD Cc1c[nH]ccc1=NNC(=O)C(=O)Nc1cncc(C(=O)O)c1 1605375278 IYUSITKITWHBAX-UHFFFAOYSA-N 315.289 -0.013 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(C(=O)O)n2)ccc1=O 1608098770 OROYVVSIZSUDDN-UHFFFAOYSA-N 316.273 -0.447 50 20 DBGD O=C1NC[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](F)Cl)C3)O1 1841648766 PXONZSVUFKKTGQ-JGVFFNPUSA-N 319.720 -0.167 50 20 DBGD CN1N=C(C(=O)NNC(=O)COc2ccc(F)cc2)CCC1=O 53167815 KQYWLRFOXRRXNU-UHFFFAOYSA-N 322.296 -0.040 50 20 DBGD CNC(=O)NNC(=O)CCNS(=O)(=O)c1cccs1 56376603 OPGDEFFRCUBNGD-UHFFFAOYSA-N 306.369 -0.623 50 20 DBGD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)NC1CC1 64428025 GZRADTQBQPJTEP-UHFFFAOYSA-N 321.293 -0.183 50 20 DBGD COC(=O)NCC(=O)NNC(=O)Cc1nc2ccccc2n1C 64734010 CPPDNHKGVSDQAE-UHFFFAOYSA-N 319.321 -0.381 50 20 DBGD C[C@H](CC(=O)NNC(=O)CN(C)C)NC(=O)c1ccccc1 75653492 WFYXFXKVGIWSGT-LLVKDONJSA-N 306.366 -0.096 50 20 DBGD CN(C)C(=O)N1CCN(S(=O)(=O)CBr)CC1 127190119 MUFQMHQRNXMWRT-UHFFFAOYSA-N 314.205 -0.032 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccoc2C)[nH]n1 153185289 SLPUGWBJYYMJAA-UHFFFAOYSA-N 305.294 -0.189 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2COCCO2)c(N)c([N+](=O)[O-])c1 267502518 YBPUVDHWQMSTKG-JTQLQIEISA-N 324.293 -0.338 50 20 DBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNc2ccc(C(N)=O)nn2)C1 268246511 NXOFJJYOHKNVDK-DTWKUNHWSA-N 321.337 -0.002 50 20 DBGD Cn1c(NNC(=O)C[C@H]2CNCCO2)nc2ccccc2c1=O 269200147 FTISIDBGFZWLNT-JTQLQIEISA-N 317.349 -0.245 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 298191813 HNOCNGYSEAIUCG-OAHLLOKOSA-N 316.317 -0.453 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCn1cc(Cl)cn1 298817707 MGQRITIHPHIMQX-UHFFFAOYSA-N 301.734 -0.401 50 20 DBGD COC(=O)c1csc(S(=O)(=O)NNC(=O)N(C)C)c1 299489139 FXJXGXBWUWEJCF-UHFFFAOYSA-N 307.353 -0.001 50 20 DBGD O=C(CNC(=O)NC1CCCCC1)Nc1cccc(B(O)O)c1 584911827 ZBMRMHYKRNIRBB-UHFFFAOYSA-N 319.170 -0.063 50 20 DBGD O=C(NCCOCC(F)(F)F)c1ccc(B(O)O)c(F)c1 584927190 NVQGBFRTJFKBNY-UHFFFAOYSA-N 309.024 -0.186 50 20 DBGD NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 584938860 ODBCXMMLNRMFDS-LBPRGKRZSA-N 305.143 -0.971 50 20 DBGD CC1(NC(=O)CNC(=O)c2cccc(B(O)O)c2)CCCCC1 584958397 YELJKSMDLWZWTC-UHFFFAOYSA-N 318.182 -0.065 50 20 DBGD CCN1CCC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584968661 MDEYBCVIEUZZBR-NSHDSACASA-N 308.162 -0.033 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1=CCN(C)CC1 584971552 BIMSGRIEJPMGNZ-JTQLQIEISA-N 306.146 -0.114 50 20 DBGD CCN1CCCN(C(=O)c2cc(B(O)O)ccc2F)CC1=O 584980046 OKVAIHHLEZBDRO-UHFFFAOYSA-N 308.118 -0.800 50 20 DBGD COCCNC(=O)[C@H](CC(C)C)NCc1ccccc1B(O)O 585031557 HNTFAPDQQNQUKD-HNNXBMFYSA-N 322.214 -0.367 50 20 DBGD CCNC(=O)C1(CNCc2ccc(B(O)O)cc2F)CCC1 585038044 QNWBNLQJCRDSRT-UHFFFAOYSA-N 308.162 -0.099 50 20 DBGD C[C@@H]1CN(CCCNCc2ccccc2B(O)O)CCCO1 585038082 RPTKEWLRKWCXFM-CQSZACIVSA-N 306.215 -0.043 50 20 DBGD Cn1ccnc1[C@H]1C[C@H](NCc2ccc(B(O)O)o2)CCO1 585044893 WLQMLDVWQUOUQA-ZYHUDNBSSA-N 305.143 -0.297 50 20 DBGD COc1ccc(C(=O)N[C@H](C(=O)NCB(O)O)C(C)C)cc1 585055015 WURWFWQSIDPFQW-LBPRGKRZSA-N 308.143 -0.422 50 20 DBGD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[C@H](B(O)O)C1 585075592 SOBDWCZOFTVUBW-HBNTYKKESA-N 308.143 -0.763 50 20 DBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cn[nH]c1 728890490 SRGQDMWINLPIOM-UHFFFAOYSA-N 315.337 -0.123 50 20 DBGD CNC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)O)C1 739748380 KIBXYAOONIPFFX-SNVBAGLBSA-N 305.294 -0.334 50 20 DBGD CC[C@@H](SC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746835697 QTPCTDJBDNIGOH-JGVFFNPUSA-N 309.413 -0.355 50 20 DBGD CC(=O)NCCCCCC(=O)NNC(=O)N1CCN(C)CC1 773660176 WCDAXGMCIODLNQ-UHFFFAOYSA-N 313.402 -0.329 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)NCCNC(=O)c1cc[nH]n1 780872489 MYROYGUJMHBUHO-UHFFFAOYSA-N 322.247 -0.578 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C[C@H](C)O)[C@@H](C)CO)c1 785538875 YEUNQZYOUXVLMP-STQMWFEESA-N 323.393 -0.180 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)c(=O)n(C)c1=O 794953628 OTYPODNJSVFCHC-CHPNCVJKSA-N 303.318 -0.013 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(C#N)o1 808082389 ZYPCPRAOTVSKHJ-UHFFFAOYSA-N 302.312 -0.320 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C(=O)N(C)OC)CC1 812871077 BAQPJVLDPAMHJY-JTQLQIEISA-N 314.386 -0.336 50 20 DBGD CN(NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 819647631 QCWSJZZVZLWAOR-AWEZNQCLSA-N 324.425 -0.175 50 20 DBGD CCN(CCO)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 823833883 NDQFVLINLQXVFR-UHFFFAOYSA-N 315.395 -0.104 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCNC(=O)C(C)(C)C 825925536 PYFYHLCQDYMDNW-VHSXEESVSA-N 314.386 -0.096 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 826993436 PJRBEEYFZJQXII-UWVGGRQHSA-N 310.358 -0.138 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCC(=O)NC1 854279923 GYJBFYSSBYTIQI-VIFPVBQESA-N 302.400 -0.613 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1coc(C(N)=O)c1 854283738 IUWDLGDQHUTXGE-UHFFFAOYSA-N 314.367 -0.134 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@@H]2Cc3ccccc32)N1 858694224 JDYMYIVMWITIBH-JQWIXIFHSA-N 302.334 -0.065 50 20 DBGD Cc1nccn1CCCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858698418 ZQICJJVAKIAQMH-LLVKDONJSA-N 322.369 -0.467 50 20 DBGD CCN(CC)C(=O)CCCC(=O)NNC(=O)CS(C)(=O)=O 863460581 CSZOLNNHYSLSAC-UHFFFAOYSA-N 321.399 -0.783 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 863874329 PEGTXFBQWDLHHP-HUUCEWRRSA-N 318.182 -0.962 50 20 DBGD Cc1cc(CC(=O)NNC(=O)/C=C\CN2CCOCC2)n[nH]1 869016168 GPILWUHGINVZLN-IHWYPQMZSA-N 307.354 -0.704 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 914718579 IVQDDNKVTJEKRV-VIFPVBQESA-N 312.370 -0.695 50 20 DBGD C#CCN1CCC(C(=O)NNC(=O)CN2CCCC2=O)CC1 920432947 LIKKEBSQSKIIBK-UHFFFAOYSA-N 306.366 -0.899 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1115886836 IIUATWHOKZWFII-NSHDSACASA-N 322.346 -0.311 50 20 DBGD NC(=O)c1ccc(CNC(=O)NNC(=O)Cc2ccncc2)o1 1116219060 YNQPIKBCKFXZTF-UHFFFAOYSA-N 317.305 -0.153 50 20 DBGD Cc1cncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1 1118140155 BITJGBIIPXEGJW-MWLCHTKSSA-N 306.322 -0.099 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 1254888235 BEYBCXINZHJUPL-UHFFFAOYSA-N 302.294 -0.114 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)NCc1ccco1 1318330844 AMUNSZFKSBIKQY-UHFFFAOYSA-N 320.396 -0.498 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCCOC1 1320793437 UJMCHIMDCROTDF-QWRGUYRKSA-N 312.370 -0.246 50 20 DBGD COCC[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1322515882 GXKCKSDGTCCFQW-SECBINFHSA-N 309.326 -0.225 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1cccc[n+]1[O-] 1326933798 LZEVTKHOCYKYIO-UHFFFAOYSA-N 303.274 -0.134 50 20 DBGD CNC(=S)N(C)NC(=O)c1oc(S(N)(=O)=O)cc1C 1330861904 IPEAAXVUJXHLPR-UHFFFAOYSA-N 306.369 -0.684 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)NCc1ccco1 1520831203 YSFPVXJPJYXNOK-CMPLNLGQSA-N 307.354 -0.502 50 20 DBGD CC[C@@H]1NCC[C@H]1C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1577308828 PLVOKGCPHMVQOW-HZSPNIEDSA-N 324.425 -0.225 50 20 DBGD COc1cccc([C@@H](N)C(=O)NNC(=O)c2cccnn2)c1 1579263941 AFCCZFGMVRUUDA-GFCCVEGCSA-N 301.306 -0.054 50 20 DBGD CC(=NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1cn(CC(=O)O)nn1 1588486227 VCUJPZNFLUQPRY-FXPVBKGRSA-N 307.310 -0.230 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H](OC)C(=O)O)cc1 1594105022 CBJVWKQAXDBIHU-LLVKDONJSA-N 311.294 -0.646 50 20 DBGD CN(C)C1(CNC(=O)NNC(=O)C(=O)O)Cc2ccccc2C1 1598182342 CHTSDIMUIBESFP-UHFFFAOYSA-N 320.349 -0.499 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@@](O)(C(=O)O)C2)c1 1607839270 BZYOAYOFQIPWMV-HNNXBMFYSA-N 321.333 -0.723 50 20 DBGD C[C@]1(C(=O)O)CN(S(=O)(=O)CBr)CCO1 1776507647 CFYGZZBJCAOYNE-SSDOTTSWSA-N 302.146 -0.156 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 68367596 UBJIAWHPBRIDSK-UHFFFAOYSA-N 306.278 -0.118 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2nc3ccccc3c(=O)n2C)C1 81402451 CPAUWCZLNXIXND-GFCCVEGCSA-N 317.349 -0.293 50 20 DBGD COC(=O)[C@H]1COCCN1S(=O)(=O)CBr 133978462 DYERUAGSPKLEIU-ZCFIWIBFSA-N 302.146 -0.458 50 20 DBGD NS(=O)(=O)N1CCN(CCI)CC1 190880102 YZDJKAPSAGNEOX-UHFFFAOYSA-N 319.168 -0.758 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)CSCC(N)=O)c1 265003856 FLZJHQMIATZEEG-UHFFFAOYSA-N 310.379 -0.268 50 20 DBGD O=C(NNC(=O)c1ccccc1)C1=NN(CCO)C(=O)CC1 270798799 YYUXLCXFNBWYLH-UHFFFAOYSA-N 304.306 -0.582 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@@]1(O)CCSC1 270873319 UGEOEDXEVDZVTM-CYBMUJFWSA-N 312.347 -0.214 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c1 281074321 DOPVWNKWTYJWPT-GHMZBOCLSA-N 307.306 -0.051 50 20 DBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccccc1O 367146814 CMNQOPPJOMDKSC-LBPRGKRZSA-N 304.350 -0.457 50 20 DBGD O=C(O)C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 390315409 HBTNSQCEMJFZMD-LBPRGKRZSA-N 321.333 -0.377 50 20 DBGD CC(C)(C)CC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(N)=O 584983056 SLHAQIXOHSJFHU-GFCCVEGCSA-N 324.161 -0.085 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1cnn(CC(=O)OC)c1 743253067 HAJHVPGFGHVAQZ-MRVPVSSYSA-N 318.355 -0.588 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2ncccn2)c2ccccc2c1=O 743283979 HGVUQFSKUJEWRA-UHFFFAOYSA-N 324.300 -0.202 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCn1ccnc1C 748628639 XIYVNVGRTNQYPG-JTQLQIEISA-N 313.358 -0.427 50 20 DBGD CC(C)c1ocnc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758027663 AKXWYPKKAKOJFA-SSDOTTSWSA-N 318.355 -0.503 50 20 DBGD O=C(Cc1csc2nccn12)NNC(=O)C(=O)N1CCCC1 765347728 GBCRNQOUVURIIS-UHFFFAOYSA-N 321.362 -0.292 50 20 DBGD Cc1ccc(-c2nnn(CC(=O)NNC(=O)C(C)(C)O)n2)cc1 768245748 VDFVXZNYTYCDII-UHFFFAOYSA-N 318.337 -0.433 50 20 DBGD CC(C)n1cnnc1SCC(=O)NNC(=O)C(C)(C)O 768246132 XKDHBSHTOJLMPU-UHFFFAOYSA-N 301.372 -0.131 50 20 DBGD CC[C@H](CO)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 775712256 AQOSJAXYHZUYAR-SNVBAGLBSA-N 319.325 -0.623 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnn(C)n2)cc1 792544224 IBPAGKRCYMUHKE-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD C[C@H]1COCCC1=NNC(=O)CSc1nnc(O)nc1O 794488745 SEDSIHYRISNQIE-LURJTMIESA-N 313.339 -0.097 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cn1 795306285 MENZXOVUCPNLMQ-UHFFFAOYSA-N 300.340 -0.375 50 20 DBGD CC(C)(C(=O)NNC(=O)NCC(F)(F)F)N1CCOCC1 801981729 AGPZXRUUSGCIIO-UHFFFAOYSA-N 312.292 -0.010 50 20 DBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nc[nH]n2)cc1 816631481 UCUSGWYDPBPSOB-UHFFFAOYSA-N 310.339 -0.188 50 20 DBGD O=C(CCc1ccco1)NNC(=O)N1CCO[C@H](C(=O)O)C1 819145651 PXDJHNHZGOTVCO-JTQLQIEISA-N 311.294 -0.262 50 20 DBGD CCN(CCO)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 823869106 ANLLZEGSZSXKBL-NSHDSACASA-N 307.416 -0.608 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CCCCN(C)C1=O 825138052 YUXVQZJXWOMBDK-SNVBAGLBSA-N 301.343 -0.945 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCNC(=O)O)c1 830465334 JTIWLXIGMIDCBT-UHFFFAOYSA-N 323.305 -0.043 50 20 DBGD CCCN1C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)CC1=O 839611563 YOXUDAUVFVOAQI-SNVBAGLBSA-N 310.354 -0.985 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CN(C)[C@H]1CCSC1 843660343 KAVCWODVGHCQKW-DCAQKATOSA-N 301.412 -0.004 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cnc(O)c([N+](=O)[O-])c1 843971231 PZPMIBSSKOBYIT-XPUUQOCRSA-N 310.266 -0.119 50 20 DBGD CCOC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCO1 858571356 FFKGHMLRCXNRFC-GRYCIOLGSA-N 315.370 -0.111 50 20 DBGD O=C(NC[C@@H]1COC2(CCCC2)O1)c1cccc(B(O)O)c1 863878617 PVNTYJYKQMFTTE-CYBMUJFWSA-N 305.139 -0.218 50 20 DBGD COCCOCC(=O)NNC(=O)CN(C(C)=O)c1ccccc1 913433548 JYPLNEXWCHEMNJ-UHFFFAOYSA-N 323.349 -0.150 50 20 DBGD CC(C)Cn1cc(C(=O)NNC(=O)CN2CCCC2=O)cn1 913732150 JYUBSLFSGSHKLE-UHFFFAOYSA-N 307.354 -0.078 50 20 DBGD Cc1ccccc1OCC(=O)NNC(=O)CS(C)(=O)=O 919679976 UTVAGUJQSVKFPZ-UHFFFAOYSA-N 300.336 -0.434 50 20 DBGD NS(=O)(=O)Cc1ccc(C(=O)NNC(=O)NC2CC2)cc1 1116098443 DLHVDMNDNQSPDG-UHFFFAOYSA-N 312.351 -0.419 50 20 DBGD C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NNC(=O)CCO)cn1 1116670884 FRAYPWNZTFLYTJ-QMMMGPOBSA-N 309.326 -0.678 50 20 DBGD CC(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 1318152894 AGAFOFQJRJYYMM-UHFFFAOYSA-N 302.381 -0.651 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(O)c(OC)c1 1318941265 HZIMMWQKBPHKDR-UHFFFAOYSA-N 311.294 -0.553 50 20 DBGD Cc1cc(C)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 1320263182 FPPIQKUJSIKGAK-QMMMGPOBSA-N 302.356 -0.670 50 20 DBGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(C)=O)c1 1321141154 XPBOLDBYWGJYSV-UHFFFAOYSA-N 309.278 -0.656 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccnc(O)c1 1321141982 IPEKISZNRQEUME-MRVPVSSYSA-N 300.340 -0.435 50 20 DBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2cn[nH]c2)CCC1 1331059117 RGNNQAQBVIWNEE-UHFFFAOYSA-N 315.355 -0.679 50 20 DBGD C=CC(=O)N(C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1335239999 LZHNKBCOCCYNMF-SNVBAGLBSA-N 303.384 -0.877 50 20 DBGD C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)C(=O)NC1CC1 1339958018 QQHOKZBEAFLWIF-VIFPVBQESA-N 305.338 -0.378 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(F)c1Cl 1342418473 ZEJDZRKSWQPUJW-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(C(=O)NC)n1 1342875573 CCNQCIUTCLIASG-MRVPVSSYSA-N 322.321 -0.456 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)cc1C 1579715998 YIDDTTVZSKEUMX-WCFLWFBJSA-N 316.361 -0.003 50 20 DBGD NCCN1CCC[C@H](C(=O)NNc2ncc(Cl)cn2)C1=O 1580311209 KEQOQCLHUJKPCO-SECBINFHSA-N 312.761 -0.230 50 20 DBGD O=C(O)Cc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1602134697 CDCBQHFSEJUDGZ-JTQLQIEISA-N 305.290 -0.647 50 20 DBGD CC(C)(C)c1ccc(CNC(=O)NNC(=O)C(=O)O)c(O)n1 1603538150 CWYALWCSEBCZQB-UHFFFAOYSA-N 310.310 0.000 50 20 DBGD CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)CO 1609082651 UTILDEGNRKRGJI-UHFFFAOYSA-N 322.329 -0.432 50 20 DBGD Cc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1-c1nn[nH]n1 1609399843 QQTSXAGROPXHBS-UHFFFAOYSA-N 313.321 -0.096 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1 1610033849 FMXOFALGOCVWSQ-UHFFFAOYSA-N 309.278 -0.493 50 20 DBGD COC(=O)CN(CC(=O)OC)S(=O)(=O)CCCCCl 228334853 QYPIKZXWDNLQEF-UHFFFAOYSA-N 315.775 -0.017 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNc2cccnn2)c(=O)c1 279324085 PPCGCHSVUMNDEJ-CQSZACIVSA-N 303.322 -0.159 50 20 DBGD COc1cccc(-n2cc(C(=O)NNC(=O)CN(C)C)nn2)c1 295058081 KODBUAWCGIAGGQ-UHFFFAOYSA-N 318.337 -0.402 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)C(C)(C)C(N)=O 298111191 JOZAXGPKOAHBER-UHFFFAOYSA-N 310.329 -0.218 50 20 DBGD CCCNC(=O)CN(CCC)C(=O)c1ccc(B(O)O)c(F)c1 584932124 GWNUNUGSILFVBI-UHFFFAOYSA-N 324.161 -0.116 50 20 DBGD CN1CCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1=O 584982731 PVVDXGANYGMMPP-UHFFFAOYSA-N 316.166 -0.549 50 20 DBGD C[C@H]1[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)CC[S@@]1=O 584985672 OHUOHOBXJJTXME-HORACTTISA-N 313.159 -0.513 50 20 DBGD CN1CCCC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 585010332 NRCVMRMZENOSNP-NSHDSACASA-N 308.162 -0.033 50 20 DBGD NC(=O)C1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1 731725451 IDBGKLLGXZRIMR-UHFFFAOYSA-N 305.290 -0.744 50 20 DBGD COc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)CO 764421900 SDLAXGICQMMKFF-UHFFFAOYSA-N 301.686 -0.573 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](O)C[C@H]2CO)cc1 764979975 IZVIXDOXVJADCA-STQMWFEESA-N 307.350 -0.816 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(NS(C)(=O)=O)cc1 768262239 VCNWKOREDDUYCJ-UHFFFAOYSA-N 315.351 -0.410 50 20 DBGD CN(CC(=O)NNc1ccnc(F)c1)[C@@H]1CCS(=O)(=O)C1 781435227 BNMOBPHBEDXIJL-SNVBAGLBSA-N 316.358 -0.217 50 20 DBGD CN1CCN(CC(=O)NNc2nc3ccccc3[nH]2)CC1=O 781960070 BFLGZZVHDGWJSI-UHFFFAOYSA-N 302.338 -0.220 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 794866715 VKQUBMJGOKGRIQ-WDNDVIMCSA-N 314.345 -0.511 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)n2cncn2)cc1 801107077 LSXYJQSVHQTMQW-SNVBAGLBSA-N 316.321 -0.066 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc(S(N)(=O)=O)cc1 811647397 KOTXTUFRDDFRRW-UHFFFAOYSA-N 314.323 -0.860 50 20 DBGD C[C@H](C(=O)NN(C)C1CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 819648928 XOAOXIQTKZJTLH-YNVCDSSISA-N 307.350 -0.337 50 20 DBGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)C1CCC1 827215712 BTMSQNNNRODHKD-UHFFFAOYSA-N 303.365 -0.043 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)[C@H]1CCCCO1 830036848 CQRHAHPGDGEKCW-SECBINFHSA-N 322.383 -0.295 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc(C(N)=O)n1 831571014 MYZDGMHLVZNBDP-HTQZYQBOSA-N 307.310 -0.242 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCNC1=O 854190703 GWMMQTHFAGWAJH-VIFPVBQESA-N 307.306 -0.643 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2cccc(F)n2)CC1=O 856422381 VEIMQUUGYJIKES-SECBINFHSA-N 324.312 -0.523 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H](CO)c2ccc(F)cc2)N1 858694730 CFGXRXDIZPVVQZ-QWRGUYRKSA-N 324.312 -0.532 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNC(=O)C3CCC3)CC2=O)cn1 859327951 GQDHYTQEGDVTGD-JTQLQIEISA-N 305.338 -0.280 50 20 DBGD NCCCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC2 861505798 BDBCFIQSKXYQMU-UHFFFAOYSA-N 306.322 -0.554 50 20 DBGD O=C(CCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@H]1CCC(=O)N1 862456684 RFTKBSDRZHUWRQ-LLVKDONJSA-N 320.305 -0.047 50 20 DBGD C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)n1cnc2ccccc21 863459349 RDWTUZYUZQBKSV-SECBINFHSA-N 324.362 -0.211 50 20 DBGD O=C(N[C@H](CCO)C(F)(F)F)c1cc(B(O)O)ccc1F 868542571 PVKBSEBBHQOYNP-SECBINFHSA-N 309.024 -0.451 50 20 DBGD COCCOCC(=O)NNC(=O)c1cccc2ncn(C)c12 869906858 UECCGQJFMFRBPG-UHFFFAOYSA-N 306.322 -0.003 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1C1CCCC1)C(=O)N1CCCC1 874257472 ACOQVSREXYGGJC-GFCCVEGCSA-N 308.382 -0.227 50 20 DBGD Cc1nc[nH]c1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 895510266 BQHMUFYTGSQJNQ-AOOOYVTPSA-N 309.370 -0.022 50 20 DBGD O=C(CN1C(=O)COc2ccccc21)NNC(=O)[C@@H]1CCOC1 921207548 LLRZOUVOYXNCJW-SNVBAGLBSA-N 319.317 -0.404 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1n[nH]cc1I 1119103675 CRJHETYJZLFYRO-YFKPBYRVSA-N 324.122 -0.028 50 20 DBGD Cc1nc(C)c(CCC(=O)NNC(=O)c2cnn(C)c2)c(O)n1 1318667894 NQDMPVYCOHAYID-UHFFFAOYSA-N 318.337 -0.074 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc2c(cn1)OCCC2 1320115381 DOCNCPHKYPUPRZ-UHFFFAOYSA-N 306.322 -0.308 50 20 DBGD CC(C)(C)c1cnc(NC(=O)C(=O)NNC(=O)CCO)s1 1321130517 NDIAVLUONSPKLG-UHFFFAOYSA-N 314.367 -0.091 50 20 DBGD CNC(=O)C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 1321609613 HISPSOPYEJHXIS-UHFFFAOYSA-N 307.278 -0.128 50 20 DBGD CC(=O)NNC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1 1323972295 PXAXRMBEUPXKLA-UHFFFAOYSA-N 318.219 -0.506 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cc2n(n1)CCO2 1324047930 LKVRVIAISQVOIN-UHFFFAOYSA-N 319.277 -0.941 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1324586494 IQFBXCNICSSUAF-QMMMGPOBSA-N 303.326 -0.587 50 20 DBGD Cc1nn(C)c(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C 1328220535 MKPBZMBUZOUJNW-VHSXEESVSA-N 323.353 -0.452 50 20 DBGD C[C@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)c1cn[nH]c1 1329175226 OQNDSBAVLKRNAI-LLVKDONJSA-N 323.401 -0.620 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(C3OCCO3)c2)N1 1330109247 UJZCQRQMLJTNHA-NSHDSACASA-N 319.317 -0.228 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc(OC)c1O 1331692397 XBGMMVHAEICGSC-MRVPVSSYSA-N 323.305 -0.551 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(F)cn1 1332158081 RAAZPNKVLPRBFC-CBAPKCEASA-N 310.285 -0.268 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@@H]1COC(=O)C1 1333781335 ZGWZBOMJCOWBNX-VIFPVBQESA-N 303.384 -0.186 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccnc(F)c1 1338099093 XBERUVGORSLDOY-QMMMGPOBSA-N 301.299 -0.584 50 20 DBGD CN(C)N(C(=O)[C@H](O)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1343773701 MIZMUPVNQSQYHB-ZYHUDNBSSA-N 313.379 -0.393 50 20 DBGD COC[C@]1(C(=O)NNC(=O)c2cccc(C)n2)CNCCO1 1578977233 ZINPCKMHTZVIBY-AWEZNQCLSA-N 308.338 -0.844 50 20 DBGD CNS(=O)(=O)NCC(=O)NNc1cccc(C(=O)O)c1C 1598670288 ALTCNMGTQPAGPN-UHFFFAOYSA-N 316.339 -0.810 50 20 DBGD O=C(O)C[C@@H](CNC(=O)NNC(=O)c1ncccn1)C1CC1 1601891389 JEQSNAUKGYWPGQ-VIFPVBQESA-N 307.310 -0.079 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 1603690139 HEFOOOZYGWDERT-AWEZNQCLSA-N 316.321 -0.211 50 20 DBGD Cn1ccc(NNC(=O)C2(C(=O)O)CCS(=O)(=O)CC2)n1 1605505730 OKWUNOAXLPKLBT-UHFFFAOYSA-N 316.339 -0.857 50 20 DBGD O=C(O)Cn1cc(NC(=O)c2cc(B(O)O)ccc2F)cn1 1606339547 MNNZVBQSBRKQIC-UHFFFAOYSA-N 307.046 -0.961 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)nn1 1608245038 QACCJHGLUPZCII-JGVFFNPUSA-N 307.310 -0.090 50 20 DBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@H]2COCCO2)c(F)c1 1608875077 LEJMIJQVRYPEFL-SNVBAGLBSA-N 312.253 -0.300 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F 1609181563 MJWOGQAMSOJXLV-UHFFFAOYSA-N 321.272 -0.498 50 20 DBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1783876028 LLVDKZCHSDOMTC-MFKMUULPSA-N 319.789 -0.971 50 20 DBGD CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)COC1 1847339378 XSQWFPMMWKSRQX-DCAQKATOSA-N 316.785 -0.176 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)NCC2CC2)nc1Cl 120125640 YPWPLHGPTHXJLB-UHFFFAOYSA-N 307.763 -0.024 50 20 DBGD COC1(CC(=O)NNC(=O)CNC(=O)c2cccnc2)CCC1 276885803 MJAMNOITXGIAKY-UHFFFAOYSA-N 320.349 -0.082 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)COc1ccccc1O 496903214 QFBPQALMGLCJSF-HQJQHLMTSA-N 309.278 -0.585 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C(C)(C)CO 497297667 YUGYWQKNQBRZHG-UHFFFAOYSA-N 318.374 -0.140 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)cc2)[C@H]2CCCC[C@H]2N1 584958206 MQWFYUHPZVRUNT-OLZOCXBDSA-N 302.139 -0.750 50 20 DBGD CN(CC1(O)CCOCC1)C(=O)c1ccc(B(O)O)c(F)c1 584978278 XFURRRLOAWLFSD-UHFFFAOYSA-N 311.118 -0.881 50 20 DBGD CC(C)OC[C@H](CO)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584982939 NQXYBGNPUFTLFX-NSHDSACASA-N 313.134 -0.637 50 20 DBGD CCC[C@@H](C)C(=O)NCCNC(=O)c1cccc(B(O)O)c1 584993728 ZYIWCIVTQAVICY-LLVKDONJSA-N 306.171 -0.351 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](O)[C@]12CCSC2 585008030 FGLZPZSSVKGMML-GXTWGEPZSA-N 307.180 -0.551 50 20 DBGD OCCN1CCCC[C@@H]1CNCc1ccc(B(O)O)cc1F 585043567 OAWMNIBSNSQSNL-CQSZACIVSA-N 310.178 -0.558 50 20 DBGD C=CCOCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 729298773 CUTOIUBFFLYMQT-UHFFFAOYSA-N 302.294 -0.374 50 20 DBGD Cc1cccnc1CNC(=O)NNC(=O)C(=O)N1CCCC1 729622326 YCBBQYGRHFUIFK-UHFFFAOYSA-N 305.338 -0.157 50 20 DBGD O=C(CN1C[C@H](C(=O)O)Oc2ccccc21)NNC(=O)C1CC1 739272067 BNAYHCYGNNGDFS-GFCCVEGCSA-N 319.317 -0.104 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cn1 748445978 VXSREGZNTFRZBL-UHFFFAOYSA-N 321.337 -0.457 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCC(=O)N2C)cc1 753399703 LAHXRQINVKUEBY-LBPRGKRZSA-N 320.349 -0.125 50 20 DBGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)COCC 764325989 XHMMSKHONJPSAY-UHFFFAOYSA-N 311.342 -0.194 50 20 DBGD O=C(CCn1cccc1)NNC(=O)CNC(=O)c1cccnc1 764341501 HITBYWITCZEHFC-UHFFFAOYSA-N 315.333 -0.149 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2ccncn2)c2ccccc2c1=O 778295014 OVYLBGHETJMFJS-UHFFFAOYSA-N 324.300 -0.202 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)c2cnn(C)n2)c1 785685570 AXBVXHIDXACVFM-UHFFFAOYSA-N 305.294 -0.093 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NOC[C@H]2CCOC2)n1 788326320 QQESJNBKYBZXKR-NSHDSACASA-N 311.342 -0.202 50 20 DBGD Cc1cccnc1NNC(=O)Cn1cc(S(N)(=O)=O)cn1 792513145 DIBPXBPNCCJLQD-UHFFFAOYSA-N 310.339 -0.623 50 20 DBGD N#CSCCCNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 816539041 PVCKILAUFLSNGN-LSKIRQOJSA-N 323.374 -0.131 50 20 DBGD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNc1nc[nH]n1 816632915 FCWYQCYRXIPYRR-UHFFFAOYSA-N 305.254 -0.414 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC2CCC1CC2 825731298 DVVRVMGEFGZYKL-SFXRXQKFSA-N 317.411 -0.102 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCC(=O)N(C)CC2)c1 852577472 GAUKVUIYKLGASU-UHFFFAOYSA-N 318.377 -0.080 50 20 DBGD NS(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)CC2CC2)c1 854667025 FDKFKSNDRLFNFO-UHFFFAOYSA-N 313.335 -0.399 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cn[nH]c1)[C@H](C)N1CCOCC1 858235781 RBFQSONGADAOOM-UWVGGRQHSA-N 310.358 -0.537 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860754492 HSUZWYLTUPTESZ-QMMMGPOBSA-N 307.310 -0.875 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(C2OCCO2)CC1 863872306 QMZFJZJIBBTTIZ-UHFFFAOYSA-N 323.129 -0.269 50 20 DBGD CC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 863891198 ZIFSUDJBPFVCBY-AWEZNQCLSA-N 304.155 -0.503 50 20 DBGD CCc1noc(CCCC(=O)NNC(=O)CN2CCCC2=O)n1 920433584 WAYVWDXLIACTOB-UHFFFAOYSA-N 323.353 -0.276 50 20 DBGD C=CCCO[C@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 921166151 RLAXRQXFRYXWJE-NXEZZACHSA-N 319.383 -0.515 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 1318876016 CXDRYNXSLDIHSB-ZCFIWIBFSA-N 312.248 -0.874 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 1321562014 GQZGBIKRRHUQBH-UHFFFAOYSA-N 322.321 -0.322 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccnn1Cc1ccsc1 1325520527 ZCEUOEDLRHYQAN-UHFFFAOYSA-N 323.334 -0.929 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCn1cnccc1=O 1327741413 PVMHUDKCTVBNDQ-VIFPVBQESA-N 310.310 -0.878 50 20 DBGD Cn1c(=O)oc2c(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cccc21 1335416561 GTXBXOCNIBCTKL-QMMMGPOBSA-N 318.289 -0.829 50 20 DBGD CC(C)[C@H](N)C(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1575447539 OZSTZZLACXKIFK-UWVGGRQHSA-N 319.427 -0.422 50 20 DBGD COCC[C@@H](N)C(=O)NNC(=O)NCCc1cccs1 1578998429 YPECLRLXJLLSDN-SNVBAGLBSA-N 300.384 -0.015 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@@H](C[C@H]1CCCO1)C(=O)O 1590939552 ZKTWNDYQMDZNBK-ZJUUUORDSA-N 301.343 -0.598 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1592581241 VMFRUNOUIYUFBM-UHFFFAOYSA-N 301.266 -0.127 50 20 DBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccs1 1594756101 XKRPCQJSXIHBBE-SSDOTTSWSA-N 313.335 -0.264 50 20 DBGD CCOC(=O)N[C@H](CNC(=O)NNC(=O)C(=O)O)CC(C)C 1596656960 BMYKTOSAFJQMLL-QMMMGPOBSA-N 318.330 -0.438 50 20 DBGD O=C(NN=Cc1csc(-c2nn[nH]n2)c1)[C@@H]1COCCO1 1606849519 LNMKWZHBKWTEQI-QMMMGPOBSA-N 308.323 -0.206 50 20 DBGD CC[C@@H](NC(=O)NNC(=O)C(=O)O)c1nnc2n1CCCCC2 1609934495 PZEGYEPBWBDTEQ-MRVPVSSYSA-N 324.341 -0.129 50 20 DBGD O=C(O)c1ccc(NNC(=O)[C@H]2CN3CCCN2CC3)nc1 1610835385 CSNPXBBWRFAPFY-LLVKDONJSA-N 305.338 -0.387 50 20 DBGD NC(=O)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 17519543 ZZDGGDJCKRQGEG-UHFFFAOYSA-N 302.294 -0.494 50 20 DBGD Cc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cnn1C 160499591 WTIZVBVPZSAFDJ-GHMZBOCLSA-N 323.397 -0.011 50 20 DBGD CCN1CCN(CC(=O)NNc2ccnc(F)c2)C(=O)C1=O 272722811 JITQIVIPSKYBHT-UHFFFAOYSA-N 309.301 -0.646 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1 280188383 HUGFIZPTWAEHHF-NEPJUHHUSA-N 316.317 -0.038 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(NC(=O)C2CC2)c1 286901496 YBWMEBWLXHTPMH-UHFFFAOYSA-N 306.322 -0.038 50 20 DBGD CCCc1nnc(SCC(=O)NN(C)C(=O)NCC)n1N 291777474 WZYULHZXKXVMJR-UHFFFAOYSA-N 315.403 -0.271 50 20 DBGD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NNc1nc2ccccn2n1 291778928 JHAFZYWCFBUFNR-DTWKUNHWSA-N 324.366 -0.212 50 20 DBGD O=C(CNC(=O)c1cccc(F)c1)NNC(=O)[C@@H]1CCCO1 292039090 AHHOTPCGIRFVIC-NSHDSACASA-N 309.297 -0.118 50 20 DBGD O=C(O)C[C@@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 321140653 FNTDYCLQTAHPDY-GFCCVEGCSA-N 321.333 -0.377 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 377470444 TXODZQUBAHEJFB-LLVKDONJSA-N 324.381 -0.150 50 20 DBGD CCOC(=O)N[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 493933118 BPMTUXFAJNBJRS-LLVKDONJSA-N 312.370 -0.246 50 20 DBGD Cc1nc(C(C)(C)NC(=O)c2ccc(B(O)O)c(F)c2)no1 584938917 OVVHHFLBMLKQIE-UHFFFAOYSA-N 307.090 -0.138 50 20 DBGD CCNC(=O)[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(C)C 584991900 FJNBZFDQGWFFHL-LBPRGKRZSA-N 310.134 -0.604 50 20 DBGD OC[C@@H](C[C@H](O)c1ccccc1)NCc1ccc(B(O)O)cc1 585034125 IQNXALXKRSSTNT-SJORKVTESA-N 315.178 -0.059 50 20 DBGD O=C1CCN1c1cccc(CNCc2ccc(B(O)O)o2)c1 585042816 VKUUXIGYVPJDMQ-UHFFFAOYSA-N 300.123 -0.014 50 20 DBGD CS(=O)(=O)CC1(CNCc2ccc(B(O)O)cc2)CCC1 585045425 AJGDPLOBHZVZAA-UHFFFAOYSA-N 311.212 -0.329 50 20 DBGD CCn1nccc1[C@@H]1OCC[C@H]1NCc1ccc(B(O)O)o1 585050111 RNDVXRRTFIXAMA-BXUZGUMPSA-N 305.143 -0.204 50 20 DBGD CC(=O)NCC(C)(C)c1nc(-c2cccc(B(O)O)c2)no1 585052844 ZDEHAHVMHXSCQG-UHFFFAOYSA-N 303.127 -0.170 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(C(=O)O)o1 739043054 LZISISAARBPSNQ-UHFFFAOYSA-N 313.291 -0.060 50 20 DBGD COc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C#N 741764633 SAJOSDLQLGNUAL-SECBINFHSA-N 324.362 -0.045 50 20 DBGD O=C(NNC(=O)[C@H]1Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 741895760 VANAPXJEAHNPHE-PWSUYJOCSA-N 308.359 -0.092 50 20 DBGD COCCn1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cn1 743430737 KDVRIPNYLPKZFL-ZDUSSCGKSA-N 323.397 -0.052 50 20 DBGD Cn1ccnc(NC(=O)NNC(=O)Cc2ccncc2)c1=O 757907334 OIELVBFLIWCJCQ-UHFFFAOYSA-N 302.294 -0.429 50 20 DBGD O=C(NNC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ccccn1 758840630 KZEZEFJOADRALT-LBPRGKRZSA-N 314.301 -0.099 50 20 DBGD N#Cc1c[nH]c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764342618 OETFCHWLRIRVCX-UHFFFAOYSA-N 312.289 -0.528 50 20 DBGD CC(C)c1nccnc1NNC(=O)CN1CCC(=O)NC1=O 772878711 YKAGGGVSKWFLJL-UHFFFAOYSA-N 306.326 -0.015 50 20 DBGD COC(=O)CNC(=O)NN=C1CCC[C@@H](S(C)(=O)=O)C1 788439430 SMBJAIHJJSXBFK-SECBINFHSA-N 305.356 -0.198 50 20 DBGD O=C(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)C(=O)NC1CC1 792853478 NBNJQCZHSPZLLG-VBJLVJOSSA-N 315.373 -0.194 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](CO)[C@@H](O)C2)c1 808752027 UVBOSMUSOQDDGR-KBPBESRZSA-N 321.377 -0.569 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CCC(=O)N(C)C2=O)o1 823906115 TVZVFOVHZDWCKK-QMMMGPOBSA-N 308.294 -0.321 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826322477 OAJUQUHZPZURQK-UHFFFAOYSA-N 301.270 -0.699 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC(O)(C(=O)O)CC1 833422366 ZDHQBVCXNTWJKG-UHFFFAOYSA-N 301.343 -0.909 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cncc(-n2ccnn2)c1 843655525 MQXPGAUEASFZKL-SKDRFNHKSA-N 316.321 -0.152 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H](C)N1CCSCC1 843660933 LUNABZPQZUJCNM-VWYCJHECSA-N 301.412 -0.004 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccncc1 843972600 VEAXSIRTSSQSOL-MWLCHTKSSA-N 306.322 -0.616 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)N1)NC1CCCCC1 845079781 PYCLUXKYHIOCFW-SECBINFHSA-N 304.372 -0.659 50 20 DBGD CO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 845470784 JPURKWHPRBKOAM-GHMZBOCLSA-N 312.370 -0.103 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)COc1ccccc1O 847467061 RPLWCBILIJUVTE-IUCAKERBSA-N 307.306 -0.570 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1ncc(Cl)cn1 857729794 GMGTYYOSURZLSF-LURJTMIESA-N 307.763 -0.099 50 20 DBGD CCO[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 859062948 LJXURGXGSIRDTE-GFCCVEGCSA-N 309.322 -0.028 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H](O)CCc2ccccc2)N1 862457670 NWWQYYNNSJWDNN-RYUDHWBXSA-N 305.334 -0.594 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2cccc(F)c2F)N1 863412723 NEFXJZMXQUABJO-ZETCQYMHSA-N 319.289 -0.447 50 20 DBGD COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(B(O)O)cc1)C2 863884789 CNRUKBOOLOOJOA-LERXQTSPSA-N 317.150 -0.220 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccn(CC(F)F)n1 869905972 GXNMGJIWHNZHBO-UHFFFAOYSA-N 306.269 -0.428 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)CCc2ccccc2)C1=O 900475261 DUGWNCKVURKTHK-ZDUSSCGKSA-N 305.334 -0.376 50 20 DBGD C#CCN1CCC(C(=O)NNC(=O)C(=O)N2CCCC2)CC1 1115925795 XYAAKVYCJPDPRQ-UHFFFAOYSA-N 306.366 -0.899 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116780855 YULNNASUPUEELK-UHFFFAOYSA-N 307.354 -0.389 50 20 DBGD Cc1cncc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)c1 1118140154 BITJGBIIPXEGJW-KOLCDFICSA-N 306.322 -0.099 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccnc2c1nnn2C 1256639526 VDTRRTQILOLFLH-UHFFFAOYSA-N 307.314 -0.656 50 20 DBGD C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NNC(=O)c1cn[nH]c1 1261792201 PRUXXPUANUGBFR-HTQZYQBOSA-N 317.371 -0.483 50 20 DBGD CCCCNC(=O)NNC(=O)c1cn(CC(=O)N(C)C)nn1 1318064771 SCBPTRRRSRKEHA-UHFFFAOYSA-N 311.346 -0.890 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC(=O)N1CCc2ccccc21 1318882610 PJHSRHSQGWVGLQ-UHFFFAOYSA-N 320.305 -0.921 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@H]2CCN(C3CC3)C2)cn1 1319172382 PDJOKONMODBEHS-SNVBAGLBSA-N 306.370 -0.152 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCc2c[nH]nc21 1319229606 JBMZWBKYCZUIHE-VIFPVBQESA-N 306.326 -0.604 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)C2CCOCC2)c(=O)n(C)c1=O 1325016281 OAPUHNRMIUWHAR-XFFZJAGNSA-N 303.318 -0.013 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 1328474219 IDDADNFHELHODX-UHFFFAOYSA-N 322.364 -0.220 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n(C)n1 1349152651 JZQDOZMPXWNXBO-WPRPVWTQSA-N 323.353 -0.507 50 20 DBGD O=C(NNC(=O)[C@H](C(=O)O)C1CC1)C(=O)Nc1ccccn1 1594778997 HUBFVXFSDCEORR-SECBINFHSA-N 306.278 -0.722 50 20 DBGD CONC(=O)CNC(=O)NNc1ccc(F)c(C(=O)O)c1 1599320712 OAUYOZMARCBYSI-UHFFFAOYSA-N 300.246 -0.172 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)N[C@H]1CCOC1=O 1606858012 IEDYDGHMNWRIFX-ZETCQYMHSA-N 304.270 -0.797 50 20 DBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)[C@H]2COCCO2)n1 1610795613 SLJWXRRBDIRHBU-SECBINFHSA-N 324.293 -0.723 50 20 DBGD C[C@H]1CN(C)C[C@H](C(=O)NN=Cc2c(C(=O)O)cnn2C)O1 1776092523 QLEKCMFYDZSUGD-GZMMTYOYSA-N 309.326 -0.713 50 20 DBGD C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783883965 XHWMLKOZOJAABC-SMDDNHRTSA-N 314.769 -0.297 50 20 DBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN)C[C@@H]21 1789861386 UYQZGNFFYOHNKG-BJDJZHNGSA-N 317.817 -0.058 50 20 DBGD N=C(N)NCC(=O)N1CCCC12CN(C(=O)[C@H](F)Cl)C2 1842883039 DPPTWFXUHIXPEO-QMMMGPOBSA-N 305.741 -0.793 50 20 DBGD NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1845993499 IBEYSUJYEQLNQC-SNVBAGLBSA-N 305.737 -0.010 50 20 DBGD CC(=O)NNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 49045901 OCDRXXYVBRRKCJ-UHFFFAOYSA-N 301.280 -0.221 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)Cn2cnc3ccccc32)C1 81224380 MQASTWZAVQLKBJ-CYBMUJFWSA-N 317.349 -0.486 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1ccoc1 121634677 WVOUQKRKXMDBFO-UHFFFAOYSA-N 302.290 -0.206 50 20 DBGD C#CCOc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 265901454 DYVXNHCQRKGCHS-UHFFFAOYSA-N 303.318 -0.016 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(C)c1 272467679 OZFXJTWCONCCNB-UHFFFAOYSA-N 301.324 -0.339 50 20 DBGD CCc1ccnc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 273364796 DBVOAIWMOBKDNO-QMMMGPOBSA-N 314.367 -0.657 50 20 DBGD COCc1ncc(C(=O)NNC(=O)N2CCN(C)CC2)s1 287987194 NRVNCJSJYOTMBW-UHFFFAOYSA-N 313.383 -0.109 50 20 DBGD CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NNC(=O)C(C)(C)O 496945108 ONIVBZCRYVDMHH-JGVFFNPUSA-N 301.343 -0.182 50 20 DBGD O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(B(O)O)cc1 584972400 VVQBWNXGAWZCAG-SNVBAGLBSA-N 302.139 -0.893 50 20 DBGD CCCN1C[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 585001330 WDVBFEUVXIWKAC-SNVBAGLBSA-N 322.145 -0.506 50 20 DBGD CC(C)CN1CCO[C@H](CNCc2ccc(B(O)O)cc2)C1 585016037 FMVTVERGOZGWKB-MRXNPFEDSA-N 306.215 -0.187 50 20 DBGD CCCCN(C)CCNC(=O)NNC(=O)C(=O)N1CCCC1 732892209 VYUZCOORQWVMGU-UHFFFAOYSA-N 313.402 -0.329 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C(F)(F)F 733659021 ROLQJFFQQPDDMF-LURJTMIESA-N 312.248 -0.827 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=S)NCC1CCC1 747523741 OGIOJSSYGOUMGX-QMMMGPOBSA-N 307.441 -0.038 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@]12CCC(=O)N1CCS2 755269607 TZPBZFRMZGKGRQ-GFCCVEGCSA-N 309.351 -0.835 50 20 DBGD COc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)CO 756867711 AXXDTMVGAIKVKZ-UHFFFAOYSA-N 310.310 -0.458 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CCN1 760497201 ZOXOTFNWEFQGDD-QMMMGPOBSA-N 324.362 -0.849 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)COC2 764325031 AVWJIMCQMNFGEX-UHFFFAOYSA-N 307.306 -0.161 50 20 DBGD Cc1nccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n1 764342193 DFFIRRFBBIKAEJ-UHFFFAOYSA-N 314.305 -0.629 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NN=c1cc[nH]cc1 781019317 FDXAYBOHBNGPFQ-LBPRGKRZSA-N 305.338 -0.926 50 20 DBGD CC(C)(C#N)CNC(=O)NNC(=O)CNC(=O)c1ccco1 781953903 OQPFGNKBDJQFST-UHFFFAOYSA-N 307.310 -0.110 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNc1nc2ccccn2n1 791258080 MBZPMWLKHBVAAV-UHFFFAOYSA-N 319.369 -0.371 50 20 DBGD COC[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C[C@@H](C)O1 827273189 FQPSHHZANWVRLU-NOOOWODRSA-N 315.370 -0.112 50 20 DBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)C(C)=O 828087367 JFIWKQHEIKAGAG-JTQLQIEISA-N 310.310 -0.661 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1c[nH]nc1Cl 842588496 BHJDLNMNVZBUPI-NTSWFWBYSA-N 308.747 -0.202 50 20 DBGD CNC(=S)N(C)NC(=O)CNC(=O)OCC(F)(F)F 854923776 IEHMTQSBTNAVHU-UHFFFAOYSA-N 302.278 -0.258 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cn1 861716297 QVVXFRNXTRRHSM-TUJBUDNFSA-N 315.377 -0.005 50 20 DBGD C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862449326 NIXHPSVDVPLAKZ-GXSJLCMTSA-N 318.333 -0.769 50 20 DBGD C[S@](=O)CCN1CCN(S(=O)(=O)CCCCl)CC1 881980821 SGPGNMPHTJVPHP-KRWDZBQOSA-N 316.876 -0.059 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)Cc1cccnc1 900573739 NRDVSVKMJWQPHI-UHFFFAOYSA-N 316.365 -0.157 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 916830290 IPLHIJBQKUVGPL-VIFPVBQESA-N 306.322 -0.394 50 20 DBGD C=CCCn1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1 1118587166 VPLDCDLKUPWYHZ-SNVBAGLBSA-N 311.367 -0.261 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1nncc(N)c1Cl 1319777837 SNYHKGKUWJDWLC-UHFFFAOYSA-N 323.762 -0.784 50 20 DBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1C 1325506986 WTFNNSHILBGTAO-UHFFFAOYSA-N 318.333 -0.149 50 20 DBGD Cc1cnc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1 1326833369 VZWIYTPWMFFWOX-SFYZADRCSA-N 312.351 -0.038 50 20 DBGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ncn(C)n2)c1 1327828022 SMGCGYRJIZJANQ-UHFFFAOYSA-N 318.293 -0.317 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cc(CO)nn2)c1 1336860636 AEVBTRBLDBGKOO-UHFFFAOYSA-N 300.278 -0.897 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@]2(CCOC2=O)C1 1337667046 MDXZYMFMOPJVBW-AWEZNQCLSA-N 307.086 -0.715 50 20 DBGD C[C@@H](C(=O)NNC(=O)NC1CCCCC1)N1CCNCC1=O 1575068472 BPVYBHBUEZPOLV-JTQLQIEISA-N 311.386 -0.530 50 20 DBGD NCCCCCC(=O)NNC(=O)C1=CS(=O)(=O)CCC1 1580292683 JUIQZNNZOMMCIM-UHFFFAOYSA-N 303.384 -0.255 50 20 DBGD Nc1cc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)ccn1 1580434004 BZVQEEMBKRDEDH-LBPRGKRZSA-N 319.365 -0.322 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCNC3)N1 1580843597 JSXVMMKAXOLVQQ-MRVPVSSYSA-N 308.363 -0.567 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1590334617 KWCCBUCMKIMKQY-RCOVLWMOSA-N 303.282 -0.193 50 20 DBGD CCNC(=S)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1590745102 CILXCQZXDNDAET-UHFFFAOYSA-N 321.366 -0.239 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)NNC(=O)C1CCOCC1 1601023369 BADSNFTYFCHMDC-UHFFFAOYSA-N 311.298 -0.302 50 20 DBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)[C@H]1CCCO1 1601285218 QUEUDADZKYGGGQ-IVZWLZJFSA-N 300.311 -0.417 50 20 DBGD NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1606421700 VGKZDUPTOSCOCE-QMMMGPOBSA-N 317.313 -0.752 50 20 DBGD O=C([C@H]1CCCO1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350663 QJCBJNJBRBCFPL-GHMZBOCLSA-N 316.785 -0.032 50 20 DBGD CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCC)c1 139253971 KIDJKTRIOKIMMC-UHFFFAOYSA-N 314.367 -0.051 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cccc(C(=O)OC)c1C 264612298 GYVMADCBCPWKQE-UHFFFAOYSA-N 301.324 -0.096 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)c2ccc(C#N)cc2)C1 269298922 SUINQZMJTNAHEH-UHFFFAOYSA-N 317.305 -0.047 50 20 DBGD O=C(NCCCCN1CCCCC1=O)c1ccc(B(O)O)cc1 584940057 OPEYZQMNQBHISN-UHFFFAOYSA-N 318.182 -0.111 50 20 DBGD O=C(CCOC[C@H]1CCCO1)NNC(=O)N1CCOCC1 745986385 QZMVDNFVURUHSS-LLVKDONJSA-N 301.343 -0.355 50 20 DBGD Cc1nn(C)c(C)c1CC(=O)NNC(=O)C(=O)N1CCCC1 748247748 SNNHJTGKIDZMRP-UHFFFAOYSA-N 307.354 -0.651 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC1CCOCC1 758043076 FCRJTAQMNJVCRV-VIFPVBQESA-N 321.399 -0.722 50 20 DBGD CC1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCOCC1 764345322 QYIUZXUGUJWUNM-UHFFFAOYSA-N 320.349 -0.225 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CS(C)(=O)=O)C1 814643932 VTHGMYGJIXHYMQ-MNOVXSKESA-N 319.427 -0.311 50 20 DBGD O=C(O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)CCl)CC2)C1 844688794 RQACIJCPHNOHEO-QMMMGPOBSA-N 324.786 -0.090 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 849193756 AYYAKHHXAJYZEH-JTQLQIEISA-N 314.367 -0.790 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 854236515 LXSROCHKMLXCLB-LLVKDONJSA-N 320.309 -0.915 50 20 DBGD C[C@@H](NC(=S)NNC(=O)CCS(=O)(=O)N(C)C)C1CC1 855098908 NXRSJFOOJVHVPP-MRVPVSSYSA-N 322.456 -0.438 50 20 DBGD Cc1cc(C)n2nc(NC(=O)NNC(=O)CCCN)nc2n1 857764618 USBFJHSWIXROFI-UHFFFAOYSA-N 306.330 -0.367 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO[C@H]1C1CC1 858365370 MNAYXXLCZILGJK-IFUGULHKSA-N 324.381 -0.199 50 20 DBGD CCC1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOCC1 858401128 IRZICTNDXCQPLF-SNVBAGLBSA-N 312.370 -0.198 50 20 DBGD CN(CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 858694313 LSBASKUUAOQOMJ-LBPRGKRZSA-N 319.365 -0.268 50 20 DBGD CC(C)Oc1cncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862457451 JTAMBFZOMXHWER-NSHDSACASA-N 306.322 -0.092 50 20 DBGD COC(=O)Cn1ncc(NCc2ccccc2B(O)O)c1C 863891636 WBXBFHLXASPQMU-UHFFFAOYSA-N 303.127 -0.344 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 869911054 TWWUFGMKNWTNEI-SNVBAGLBSA-N 315.370 -0.556 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCN1CC[C@@H](C)C1 897439075 OAZKVKNSELDKTL-VXGBXAGGSA-N 316.402 -0.290 50 20 DBGD C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cccc(B(O)O)c1 912007179 MONSKLVRSJJOLQ-VWYCJHECSA-N 304.155 -0.554 50 20 DBGD CNc1snc(C)c1C(=O)NNC(=O)CN1CCCC1=O 920435734 NGDDALFRXPJLGQ-UHFFFAOYSA-N 311.367 -0.123 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN([C@H]2CCOC2)CC1 1118570193 CJWWZDVIKVFTNJ-LBPRGKRZSA-N 314.386 -0.393 50 20 DBGD O=C(NN=C1CCCS(=O)(=O)C1)N[C@H]1CCS(=O)(=O)C1 1318371448 LOLODMHIYMXUJB-QMMMGPOBSA-N 323.396 -0.963 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C(=O)NC2CC2)C1 1319536419 XWRICMZNEODJAX-QWRGUYRKSA-N 310.398 -0.077 50 20 DBGD CC(C)[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1319883224 HKZKPNNOOQQAQJ-WDEREUQCSA-N 312.370 -0.201 50 20 DBGD COc1cc(C(=O)NNC(=O)CO)cc(NC(C)=O)c1OC 1320077701 OSAZXGFHORRJCA-UHFFFAOYSA-N 311.294 -0.585 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)C2CCOCC2)c(=O)n(C)c1=O 1325016285 OAPUHNRMIUWHAR-YRNVUSSQSA-N 303.318 -0.013 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cnn1C 1326048323 SARSNQDBKWJNSL-IUCAKERBSA-N 309.326 -0.761 50 20 DBGD Cn1nnc2c1CC[C@H](NC(=O)NNC(=O)[C@@H]1CCCCO1)C2 1326877159 TXDNGUJPQDTWGG-CABZTGNLSA-N 322.369 -0.428 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nnnn1C1CC1 1328131338 LPJUJLCDTIVUHX-CBAPKCEASA-N 309.330 -0.737 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCCS(C)(=O)=O 1328143054 MTHVEDLQWVVYSP-VHSXEESVSA-N 321.399 -0.433 50 20 DBGD Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331518028 BJMICDMDGSHRCK-GMSGAONNSA-N 308.342 -0.601 50 20 DBGD N#CC1=CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 1342030650 YZXFHUDMUYNSDB-HBJVGIJOSA-N 315.329 -0.169 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO[C@H]2CCOC2)cc1 1344654503 IICYXZIKWNIVQI-LBPRGKRZSA-N 321.333 -0.114 50 20 DBGD O=C(CNC1CC1)NNC(=O)[C@@H]1C(=O)Nc2ccccc2C1=O 1580553292 KJPRCABCQSKBDF-LBPRGKRZSA-N 316.317 -0.663 50 20 DBGD O=C(NNc1ncc(F)cn1)c1ccc(-c2nn[nH]n2)nc1 1593167700 NISLUKGFEXYOOD-UHFFFAOYSA-N 301.245 -0.052 50 20 DBGD O=C(NCc1ccccc1C(=O)O)NNC(=O)C(=O)NC1CC1 1594772076 QERYOMWFXWBTLS-UHFFFAOYSA-N 320.305 -0.506 50 20 DBGD Cn1cc(C(=O)NNC(=O)/C=C/c2ccc(C(=O)O)o2)nn1 1605481383 XGRSDPCVHSCJEX-HWKANZROSA-N 305.250 -0.419 50 20 DBGD O=C(O)CCCCNC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1606164489 AWRUNWXUUACHGK-SECBINFHSA-N 324.341 -0.574 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 1606559447 GNUMXZROKVFLQO-UHFFFAOYSA-N 311.689 -0.335 50 20 DBGD Cn1nc(C(=O)O)cc1NC(=O)NNC(=O)Cc1ccccn1 1608144729 ZMRREKLMYSFYMF-UHFFFAOYSA-N 318.293 -0.091 50 20 DBGD O=C(c1cncnc1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349954 ZDDKIBODUIZROW-NSHDSACASA-N 324.768 -0.107 50 20 DBGD O=C(NNS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 14870747 UKXPOJPEDMFEBD-VIFPVBQESA-N 318.376 -0.569 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)NCCCOC 65597772 BTQKKQDDBDUHKV-VIFPVBQESA-N 303.363 -0.420 50 20 DBGD CCN1CCN(CCC(=O)NNc2nccc(OC)n2)CC1 263694158 QOKDLGXIODXDNV-UHFFFAOYSA-N 308.386 -0.044 50 20 DBGD CCOC(=O)/C(C#N)=C/NNC(=O)[C@H](C)CN1CCOCC1 264519404 KJLLSBMTWDYAOC-LWMMSDEHSA-N 310.354 -0.454 50 20 DBGD CNC(=O)NNC(=O)CNC(=O)N1CCc2ccccc2C1 265295833 WITPZDAFFYKSQA-UHFFFAOYSA-N 305.338 -0.286 50 20 DBGD COC(=O)N(C)NC(=O)CNS(=O)(=O)c1cccnc1 290923878 OBIJJFSFHAPYQI-UHFFFAOYSA-N 302.312 -0.911 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)CNc2ccccc2C(N)=O)O1 293965302 RKDWQGYWDVXZAX-CABZTGNLSA-N 320.349 -0.088 50 20 DBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NN(C)C(N)=O)CC1=O 367877196 GGLHNGWQSZAKIE-WDEREUQCSA-N 311.386 -0.639 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)N[C@H]2CN(C)NC2=O)cc(C#N)n1C 490813484 PRFUTFWBHNPJBF-HQAMWZJRSA-N 312.333 -0.426 50 20 DBGD NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584940732 ZYHDNVQHXUTFEA-JTQLQIEISA-N 322.145 -0.377 50 20 DBGD O=C(NC[C@H](O)C1CCOCC1)c1ccc(B(O)O)c(F)c1 584959633 JPDJZUGHAVMBIK-ZDUSSCGKSA-N 311.118 -0.977 50 20 DBGD CN1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 736849278 RBXJTWXLEZEKAR-LLVKDONJSA-N 315.337 -0.421 50 20 DBGD CCN1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 741464140 MWDBCLMHOUIGDO-ZJUUUORDSA-N 304.416 -0.242 50 20 DBGD C[C@@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N(C)C 750612652 QWWVYWSFFAUQKS-NSHDSACASA-N 320.397 -0.210 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@@H](C)CS(C)(=O)=O)o1 752965253 NBYVFUZEBUPYKS-ZETCQYMHSA-N 303.340 -0.035 50 20 DBGD CNc1nnc(CC(=O)NNC(=O)NCCCOC)s1 759591288 MVPPGPLYFWPLQT-UHFFFAOYSA-N 302.360 -0.511 50 20 DBGD O=CN1CCCN(CC(=O)NNC(=O)c2cccs2)CC1 781559508 MDCJHIHLKUHOES-UHFFFAOYSA-N 310.379 -0.327 50 20 DBGD Cc1c[nH]nc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 799832232 UIACGOHSVOWDNC-GHMZBOCLSA-N 309.370 -0.022 50 20 DBGD COCCCNC(=O)NNC(=O)C(C)(C)N1CCOCC1 801140121 AZFZCEWNOWCYRO-UHFFFAOYSA-N 302.375 -0.536 50 20 DBGD COC(=O)COCC(=O)NNC(=O)c1c(C)nc2ccccn12 806344250 CUCIBVSTTJSBOF-UHFFFAOYSA-N 320.305 -0.407 50 20 DBGD CCC1=C(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCCO1 806787897 OYVFUJBVLKYOMY-MRVPVSSYSA-N 319.383 -0.454 50 20 DBGD CN(C)S(=O)(=O)CCNC(=O)NNc1cccc(F)n1 811976852 IOBHHUHPAJHEIB-UHFFFAOYSA-N 305.335 -0.262 50 20 DBGD C=C[C@@H](O)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 816805716 GUWGBTHURCUGOV-LLVKDONJSA-N 316.317 -0.276 50 20 DBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)CC1CC1 819104559 NSWVIJSYJFZNOG-UHFFFAOYSA-N 315.395 -0.474 50 20 DBGD O=C(NN=C1CCCn2nccc21)N[C@H]1CCS(=O)(=O)C1 853292193 PNDVDIFLUIZXBP-VIFPVBQESA-N 311.367 -0.133 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)OCC(F)(F)F 856021315 DQFFBRQPSNNGKN-UHFFFAOYSA-N 321.277 -0.412 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1CCOC(=O)N1 859488696 AMCFWSVPVMTVMJ-NSHDSACASA-N 307.306 -0.151 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C2=NO[C@H](c3ccccc3)C2)N1 862452898 PAFHVDKRNBINRV-JQWIXIFHSA-N 316.317 -0.070 50 20 DBGD COCCNC(=O)CNS(=O)(=O)CC(C)(C)CCl 866430982 CLNSKYDNEFLCSB-UHFFFAOYSA-N 300.808 -0.067 50 20 DBGD C[C@]1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C[C@@H]1Br 906904131 CXBVMOVIVONRCU-HFJPGXAFSA-N 316.155 -0.078 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(Cl)nc1 1116600359 UHDAFQPWMXDSOQ-UHFFFAOYSA-N 322.712 -0.213 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1121899569 HRBJSYYTWLYHIK-NSHDSACASA-N 322.346 -0.311 50 20 DBGD Cc1cnc(Cl)c(NC(=O)C(=O)NNC(=O)CCO)c1 1255589171 YNHMBCNGSCEDON-UHFFFAOYSA-N 300.702 -0.488 50 20 DBGD CCN(CC)C(=O)CCCNC(=O)NNC(=O)C(=O)OC 1319004041 QKEIKDBWCADTHT-UHFFFAOYSA-N 302.331 -0.862 50 20 DBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 1319340618 FHTBLKZVNGYYLF-SNVBAGLBSA-N 310.354 -0.985 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CN(C)Cc2ccccc21 1319612379 XGQMBFKAGPHEBS-LLVKDONJSA-N 306.322 -0.324 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 1320358084 MXWJXBSLOXQFPY-UHFFFAOYSA-N 320.305 -0.696 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(N)=O)c1 1321672821 RZHATUHLUPDLSN-UHFFFAOYSA-N 307.310 -0.584 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2c[nH]cc(Cl)c2=O)CC1 1323044506 CSVFGOHBLZODCO-UHFFFAOYSA-N 313.745 -0.370 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)NNC(=O)c1cccnc1)CC2 1324146551 WSUNLWQJDSLIPZ-VIFPVBQESA-N 300.322 -0.224 50 20 DBGD O=C(CCOCC(F)F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1324493458 SEVXKBRQFJZWES-SSDOTTSWSA-N 314.310 -0.760 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cnn(-c2ccc(O)nn2)c1C 1325090840 FMSQIQXLNLZQCG-UHFFFAOYSA-N 319.325 -0.018 50 20 DBGD CCNC(=O)CCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1326113677 YNIYPCJFKXQCOZ-JTQLQIEISA-N 305.400 -0.605 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 1330794797 PUYDHEVIOIPCIC-QMMMGPOBSA-N 314.342 -0.863 50 20 DBGD CC(C)(NCC(=O)NNC(=O)C1CC1)c1cc(C(=O)O)on1 1590866911 UUVLFCZDVHQAQI-UHFFFAOYSA-N 310.310 -0.245 50 20 DBGD O=C(NNC(=O)C1CCOCC1)c1c[nH]c(-c2nn[nH]n2)c1 1593158301 QDPJCHKHVYWHLW-UHFFFAOYSA-N 305.298 -0.618 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNC(=O)c2ccccc2)C1=O 1595083478 QNXXUNWZFHPKDS-NSHDSACASA-N 319.317 -0.229 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)Nc1ccccn1)C(=O)O 1603183774 FIFLPGKUDLPPPH-SSDOTTSWSA-N 309.282 -0.929 50 20 DBGD C[C@@H](CC(=O)O)CC(=O)NNC(=O)C(=O)Nc1ccccn1 1604105715 CEBHHFATYTYMLA-MRVPVSSYSA-N 308.294 -0.332 50 20 DBGD Cc1nn(CC(=O)NNc2ccccc2C(=O)O)c(=O)n1C 1608003458 AWBRXROMSCPUMA-UHFFFAOYSA-N 305.294 -0.268 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 1608476901 BIQFGHAUMCIJQK-APPZFPTMSA-N 310.266 -0.968 50 20 DBGD O=C(O)c1ccc(NNC(=O)[C@H]2CCc3nnc(O)n3C2)nc1 1608904339 QRMSONRTAYQPOD-QMMMGPOBSA-N 318.293 -0.217 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)O)[C@@]12CCCO2 1610030585 MQEXXRVYVYFOFY-SXMVTHIZSA-N 301.299 -0.872 50 20 DBGD CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784089408 BDFSESVXBJTUKB-BJDJZHNGSA-N 304.774 -0.414 50 20 DBGD C[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793116705 RENXUXUEBRNXID-KAMPLNKDSA-N 304.774 -0.395 50 20 DBGD CC[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N(C)C 154588459 RRBHAOFHPHQYAR-GFCCVEGCSA-N 317.353 -0.237 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 264078143 CSUFCGRAJFZVAC-SNVBAGLBSA-N 313.379 -0.377 50 20 DBGD COCCS(=O)(=O)NNC(=O)COc1ccccc1O 264668529 ZWXKJUAMWXIMLK-UHFFFAOYSA-N 304.324 -0.632 50 20 DBGD CC(C)NS(=O)(=O)NNC(=O)COc1ccccc1O 272246944 XMIJYEMPVCADHD-UHFFFAOYSA-N 303.340 -0.365 50 20 DBGD COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)c1ccccc1 272253788 LMTHAMWMGNNMMY-NEPJUHHUSA-N 321.333 -0.944 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1cccc([N+](=O)[O-])c1 276190894 UJGJWIVRNZGLCL-VHSXEESVSA-N 323.261 -0.012 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@]2(CCOC2)O1 584984521 WBECMJQDZKAEBQ-BONVTDFDSA-N 323.129 -0.475 50 20 DBGD CC(C)n1cnnc1CN(C)C(=O)c1cccc(B(O)O)c1 584992917 QCDIFNJOMSJLTI-UHFFFAOYSA-N 302.143 -0.189 50 20 DBGD Cc1ccc2c(c1)C(=NNC(=O)[C@@H](C)NS(C)(=O)=O)C(=O)N2 728437956 YVFFZJJEXTYFSL-MRVPVSSYSA-N 324.362 -0.295 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCCOCCS(C)(=O)=O 743639369 XYPFPVKNCPOQEW-UHFFFAOYSA-N 323.415 -0.186 50 20 DBGD C[C@H](CS(C)(=O)=O)N(C)CC(=O)NNC(=O)C(C)(C)C 744399491 PCGBQKRZBDCAQZ-SECBINFHSA-N 307.416 -0.455 50 20 DBGD CCC(CC)NC(=O)C(=O)NN=Cc1c(N)ncnc1OC 747631967 CVXBURKOMRCUOF-UHFFFAOYSA-N 308.342 -0.178 50 20 DBGD CCNC(=O)NNC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 772690472 AOORFVVXZBXPJY-SECBINFHSA-N 306.388 -0.603 50 20 DBGD O=C(NN=C1CC(=O)N2CCCC[C@H]12)[C@@H]1CCS(=O)(=O)C1 799475177 XYCUMOIYVTVSLA-MWLCHTKSSA-N 313.379 -0.322 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CC2OCCO2)cc1 801105238 BZFIMSAUJAYQFJ-UHFFFAOYSA-N 307.306 -0.156 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1cccc(F)n1 804767696 DXYQFDMMYKYXPS-UHFFFAOYSA-N 303.257 -0.251 50 20 DBGD COc1cccc(C(=O)NNC(=O)Nc2cnnn2C)c1O 809907413 JTSIZQICIQVCLQ-UHFFFAOYSA-N 306.282 -0.004 50 20 DBGD COC[C@@H](C)[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 812535138 WKJCLPKNKDJVSK-GHMZBOCLSA-N 322.365 -0.123 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 841376839 XLPWTTZRJFRDAI-HQJQHLMTSA-N 311.269 -0.151 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1C 843641269 FWRGVQOBUJSLNR-VHSXEESVSA-N 308.338 -0.417 50 20 DBGD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)/C(C#N)=C\c2cnn(C)c2)C1 844110997 CGUDNXFWBNJEBT-QPXVLLODSA-N 318.333 -0.291 50 20 DBGD CC(C)(CO)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 847336254 OSSWTPHLXRBBGZ-UHFFFAOYSA-N 314.363 -0.130 50 20 DBGD CCN1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1=O 852708414 ALALUDXHWMPPAS-UHFFFAOYSA-N 309.301 -0.261 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 854285809 PYQBBPLNUHADRK-UHFFFAOYSA-N 316.343 -0.195 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CCCS1(=O)=O)C1CC1 855094724 FXONTUYMNZWJIG-CBAPKCEASA-N 305.425 -0.143 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(F)n2)CCC1 856427146 QJRAEIBUWVNQRG-UHFFFAOYSA-N 315.326 -0.051 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)c1=O 857144394 KBODELPTJZBVDN-AXFHLTTASA-N 319.365 -0.082 50 20 DBGD Cc1csc(C(=O)NNC(=O)NCCNS(C)(=O)=O)c1 858129748 WBXBGXQXINOBCU-UHFFFAOYSA-N 320.396 -0.450 50 20 DBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1C 858174486 RKZJCVGRQNJUJW-QUARPLMYSA-N 318.395 -0.372 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858296638 RPWUWPXEDGAATL-MIMYLULJSA-N 309.370 -0.922 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)N1 858700451 LZKBMCKXWQLUMQ-IFUGULHKSA-N 322.365 -0.351 50 20 DBGD CCCc1nnc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 860311201 JUIFRXBUXJGURX-LURJTMIESA-N 312.355 -0.078 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)Cc1ccc(F)cc1 918717354 PXYDLRJWHZRBKT-UHFFFAOYSA-N 312.370 -0.048 50 20 DBGD Cn1cccc1C(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1116907347 BQRRABHYRPUSJJ-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD CO[C@H](C)CCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1261295949 MQUGFFUCVZQFCP-SECBINFHSA-N 309.326 -0.225 50 20 DBGD Nc1cnnc(NNC(=O)[C@H]2CN3CCCN2CC3)c1Cl 1324617460 WUOBVSKDQCEXRD-SECBINFHSA-N 311.777 -0.455 50 20 DBGD O=C(NNC(=O)c1scc2c1OCCO2)C(=O)NC1CC1 1326771144 KXCKQEQSCLKQQT-UHFFFAOYSA-N 311.319 -0.441 50 20 DBGD Cn1nncc1NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 1329009550 SLNCOHKBXOMKEP-UHFFFAOYSA-N 309.330 -0.631 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc(OC)c1O 1331692399 XBGMMVHAEICGSC-QMMMGPOBSA-N 323.305 -0.551 50 20 DBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1332594707 QOMXESMDIJKVGQ-UHFFFAOYSA-N 321.337 -0.670 50 20 DBGD CCC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCOCC1 1341926263 JTZGQAPLYKGRQP-SNVBAGLBSA-N 318.395 -0.225 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2nnnn2C)n1 1341933979 JEDAJGJTXVFDGE-QMMMGPOBSA-N 304.314 -0.381 50 20 DBGD CCCCNC(=O)NNC(=O)CN1CCC[C@H](C(=O)O)C1=O 1595758409 BGDINNSZLUPFQS-VIFPVBQESA-N 314.342 -0.560 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)O)CNC(=O)OC(C)(C)C 1604178583 IXQQWCBOABSKIR-ZETCQYMHSA-N 318.330 -0.438 50 20 DBGD CNC(=O)NN=C1CCCc2c1cnc(O)c2-c1nn[nH]n1 1604886143 MINLDFZXXYKYAN-UHFFFAOYSA-N 302.298 -0.063 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)[C@H]1COCCO1 1605814801 UJPGPAGMVOMBCH-MRVPVSSYSA-N 318.351 -0.853 50 20 DBGD O=C(NNC(=S)NC1CC1)c1ccc(-n2cnnn2)cc1 7679101 PINZVLCJXDNHHX-UHFFFAOYSA-N 303.351 -0.066 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1c(=O)cnc2ccccc21 113425093 DPZCGCDPNYUJPS-UHFFFAOYSA-N 303.322 -0.895 50 20 DBGD CCC(CC)[C@@H](C(=O)NNC(=O)CN(C)C)N1CCOCC1 175945968 STPRMXZUOWZMDL-AWEZNQCLSA-N 314.430 -0.168 50 20 DBGD NC(=O)COc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1 254791402 MNAHYNQHARUZGJ-UHFFFAOYSA-N 318.333 -0.377 50 20 DBGD Cc1ccc(F)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 264089265 FTDCOBXTHYIVFK-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNc2cnccn2)C1=O 265181068 QHAUFYALZJTGBS-CYBMUJFWSA-N 304.310 -0.360 50 20 DBGD CC(C)N(C)S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 267058855 OVOCQNIWHOQVSV-UHFFFAOYSA-N 318.355 -0.785 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)c2ccccc2)C[C@H](C(N)=O)O1 268349631 UOWIIQGSGKGGGQ-MWLCHTKSSA-N 306.322 -0.384 50 20 DBGD CS(=O)(=O)N1CCN(CC(=O)NNc2ccccc2)CC1 269612645 MSBYAGCPVLECAL-UHFFFAOYSA-N 312.395 -0.293 50 20 DBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1ccccc1Cl 286606813 WXXRIJCFRIFGLZ-UHFFFAOYSA-N 312.757 -0.092 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 363594690 DZOXPJUAYDAZPO-ZDCRXTMVSA-N 301.343 -0.312 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NNC(=O)CO 496250645 BDNDUFGHABQEIW-SECBINFHSA-N 314.342 -0.287 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)c1cn(C[C@H]2CCOC2)nn1 584912381 RJWZMXNTEAQIHA-SNVBAGLBSA-N 316.126 -0.753 50 20 DBGD O=C(c1cccc(B(O)O)c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 584944212 QBKCNERQFDFAGL-CYBMUJFWSA-N 323.179 -0.842 50 20 DBGD C[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(B(O)O)c(F)c1 584961047 WTIZIHAWMPKCEH-QMMMGPOBSA-N 317.147 -0.942 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)[C@@]12CCCO2 584975338 MTCYWYCJQVJAQT-LZWOXQAQSA-N 319.166 -0.177 50 20 DBGD O=C(NC[C@H]1CCCN1CCCO)c1cc(B(O)O)ccc1F 584995804 RPHLKXZQPWCDCS-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD COCCOc1ncccc1CNCc1ccc(B(O)O)o1 585016457 YYYUSUTWSRWIDN-UHFFFAOYSA-N 306.127 -0.331 50 20 DBGD O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](B(O)O)C1 585068487 BODVNJMHSPBDOG-GJZGRUSLSA-N 318.182 -0.037 50 20 DBGD COc1ccc(C(=O)NNC(=O)C2(C(N)=O)CC2)cc1OC 731597365 OXIIWGAXKRWGQK-UHFFFAOYSA-N 307.306 -0.270 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCO[C@@H](C#N)C2)c1 744397944 GODWMGDWIRWTGZ-ZDUSSCGKSA-N 313.317 -0.456 50 20 DBGD CCNC(=O)NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 746167036 LRGDZDASPPMSEX-HNNXBMFYSA-N 306.366 -0.026 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C#N)cc1 746840141 PSLGMRXDYDJEOK-SECBINFHSA-N 309.347 0.000 50 20 DBGD CCN(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 750828692 BLDMBCHPVJHXKM-SECBINFHSA-N 303.384 -0.947 50 20 DBGD COc1ccc(NC(=O)NNC(=O)CO)cc1-n1nnnc1C 756318173 FWTAKFXENSFOBY-UHFFFAOYSA-N 321.297 -0.876 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCSC1 763824703 LXRWIEHFCQFVJE-JTQLQIEISA-N 308.363 -0.288 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNc2ncccn2)O1 775455484 SUXQFWHPESOXIA-NXEZZACHSA-N 308.342 -0.262 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NN=c2cc[nH]cc2)n1 782050461 KNQLRLXQLPPXEW-UHFFFAOYSA-N 304.314 -0.668 50 20 DBGD CCc1nn(C)c(CC)c1CC(=O)NNC(=O)C(=O)NC1CC1 790214372 JEYUBYNTWMLZBW-UHFFFAOYSA-N 321.381 -0.487 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCc3nnn(C)c3C2)n[nH]1 810583812 FKFWKPTWWXMYHY-MRVPVSSYSA-N 303.326 -0.587 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)NC(=O)N1 816818533 CTPXVGVYMRGSSX-QMMMGPOBSA-N 310.697 -0.301 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)c1cccc(F)n1 816872130 CANFBZJELUNJGK-MRVPVSSYSA-N 304.285 -0.164 50 20 DBGD CCO/C=C(\C#N)C(=O)NCCCn1c(=O)ccn(C)c1=O 819536987 CYXWMBZTDFRSNQ-ZHACJKMWSA-N 306.322 -0.503 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)C(=O)N1CCCC1 823273488 PDLYHVJVZCYHEJ-UHFFFAOYSA-N 303.282 -0.468 50 20 DBGD CC(=NNC(=O)c1sc(N)nc1C)c1cn(CC(=O)O)nn1 825804759 WFNZLOMNCIRRSR-UHFFFAOYSA-N 323.338 -0.136 50 20 DBGD NC(=O)C1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1 826388592 DXUGICZHIPAOGX-UHFFFAOYSA-N 322.716 -0.376 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 839721437 QHJVTEBYXHGJKA-LLVKDONJSA-N 323.324 -0.644 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)NCC2CC2)CC1 849306957 CVOMJEVVDTUQFE-UHFFFAOYSA-N 306.388 -0.444 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cncnc2C2CC2)CC1 854382164 ZRITYDVAWAGFDQ-UHFFFAOYSA-N 304.354 -0.044 50 20 DBGD COc1cc(CC(=O)NNC(=O)C(=O)NC(C)C)ccc1O 857433281 UCPPOSNDMOTGGW-UHFFFAOYSA-N 309.322 -0.385 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2ccccc2[N+](=O)[O-])N1 858146590 HJBIKFMWVWRDBL-VIFPVBQESA-N 321.293 -0.296 50 20 DBGD CCOc1ccc(OCC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 862450091 WRIDEZAIMQNKKJ-GFCCVEGCSA-N 321.333 -0.110 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 862450455 UCPRNNLSTWTIAG-LURJTMIESA-N 311.319 -0.426 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc3nnc(S)n3c2)N1 862459491 USCSPQFEBCZKPU-SSDOTTSWSA-N 320.334 -0.942 50 20 DBGD CCOC(=O)[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863871990 IUMCTWPSOOYPQK-ZDUSSCGKSA-N 305.139 -0.076 50 20 DBGD COC(=O)[C@H]1CCCCCN1C(=O)c1cccc(B(O)O)c1 863878767 QSGNWIUORAKPAG-CYBMUJFWSA-N 305.139 -0.076 50 20 DBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)COCCOC 869909533 ZLDJKBSYSQZDOV-NSHDSACASA-N 315.370 -0.412 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(C)C[C@H]1Br 905361543 HHTVVOCCPVRJNP-LHLIQPBNSA-N 306.160 -0.168 50 20 DBGD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(CCl)cc1 914373354 WJBPJTFWCZIUBK-SNVBAGLBSA-N 306.771 -0.189 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1cccn1C 914878430 AUVWZDHRCHLCFC-UHFFFAOYSA-N 309.370 -0.758 50 20 DBGD CC(C)C(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C 916622428 QHPGVFNWSZRKDQ-UHFFFAOYSA-N 308.404 -0.309 50 20 DBGD N#Cc1csc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1116226296 BVKBMIQGGVIJGW-MRVPVSSYSA-N 313.360 -0.185 50 20 DBGD CN(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118860231 KIOLFGXNTLZWCL-OUAUKWLOSA-N 311.386 -0.532 50 20 DBGD O=C(Cn1c(=O)oc2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 1118883909 NDWSVXUBSKKONM-MRVPVSSYSA-N 318.289 -0.980 50 20 DBGD Cc1csc([C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O)n1 1118895415 SABLVYHTKWFEMX-ZETCQYMHSA-N 305.381 -0.253 50 20 DBGD CC(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)n(C)c1 1318986170 MABOYTCQYRKPSG-UHFFFAOYSA-N 306.322 -0.389 50 20 DBGD COC[C@@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)OC 1319963084 UBEFLKQKZGWYOE-KOLCDFICSA-N 309.388 -0.971 50 20 DBGD CCCc1ccc(NC(=O)C(=O)NNC(=O)C(=O)OC)cc1 1320902237 ZDNFPQOIMBHPNQ-UHFFFAOYSA-N 307.306 -0.102 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](N)C2)C[C@@H]1Br 1331388912 UVRQCBSSYQBTND-FYBVGQRMSA-N 304.188 -0.164 50 20 DBGD CCn1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])n1 1331827581 QQTMLCSPEZALAL-ZETCQYMHSA-N 318.120 -0.951 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 1333214709 LDGBPWHVBUROIN-SECBINFHSA-N 308.342 -0.719 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1347803986 BZBUAMSNGIMUEN-LURJTMIESA-N 302.274 -0.089 50 20 DBGD C[C@H](CO)N(C)NC(=O)CNS(=O)(=O)c1ccccc1 1348953531 GIVKHBRKAPTKKU-SNVBAGLBSA-N 301.368 -0.691 50 20 DBGD NC1(CC(=O)NNC(=O)Cc2c[nH]c3ccccc23)COC1 1580144778 VHPDDXLTSZERSI-UHFFFAOYSA-N 302.334 -0.024 50 20 DBGD CC(C)C[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)O 1588853231 SZYGHMYCTMGXMS-RKDXNWHRSA-N 314.342 -0.658 50 20 DBGD OB(O)[C@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 1593497523 BIGJUBDXJQRUNI-VIFPVBQESA-N 300.131 -0.197 50 20 DBGD Cc1nnc(NNC(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)nc1O 1600798652 QYUJVCZLZRZBCB-JGVFFNPUSA-N 311.298 -0.401 50 20 DBGD O=C(O)C[C@@H]1CCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 1602106810 BKWDHSCHORKJCY-QPUJVOFHSA-N 309.102 -0.121 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCCn1cc(C(=O)O)nn1 1603322943 RGGKFHAHXIKCJQ-UHFFFAOYSA-N 312.330 -0.257 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1cccc(F)c1C(=O)O 1608377160 OKTMFBQXASOJKV-UHFFFAOYSA-N 322.252 -0.071 50 20 DBGD CN(NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(N)=O 1609281438 FPUBFFDFIFBSGV-SNVBAGLBSA-N 314.309 -0.409 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(C(=O)O)o1 1610665979 QZIOAGDSZQBVDG-UHFFFAOYSA-N 321.245 -0.238 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCCCO2 1610714278 MRAIZBDEZBLRGC-UHFFFAOYSA-N 323.261 -0.982 50 20 DBGD CC(C)(CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843347879 AZUNZUCDLOMFEC-JTQLQIEISA-N 316.833 -0.259 50 20 DBGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 55040918 AGIREWIMVLZOER-LLVKDONJSA-N 324.381 -0.551 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 184196819 LMVFUDCTIVOTJD-UHFFFAOYSA-N 317.349 -0.174 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNc1nc2ccccn2n1 191914477 GJCKSHYKACBVFZ-UHFFFAOYSA-N 324.304 -0.318 50 20 DBGD CC(C)N(CC(N)=O)CC(=O)NNC(=O)c1ccc(F)cc1 268489190 DBZIMYDIRZVQCZ-UHFFFAOYSA-N 310.329 -0.218 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](O)c1cccnc1 270941566 COXIJMODIXXEHT-NSHDSACASA-N 308.338 -0.433 50 20 DBGD COC[C@@H](CNC(=O)NNc1ccc(-n2cccn2)nn1)OC 273073786 ZWFNSWVQMAPHAX-SNVBAGLBSA-N 321.341 -0.050 50 20 DBGD COc1ccc(NNC(=O)CCN2CCCS2(=O)=O)nc1 275500343 HIRQCPVRSKRRGH-UHFFFAOYSA-N 314.367 -0.041 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1 280188389 HUGFIZPTWAEHHF-NWDGAFQWSA-N 316.317 -0.038 50 20 DBGD COc1ccnc(NNC(=O)C2=C(C)N(C)c3nnnn3C2)n1 280678683 CFIRJKVVLYSQLI-UHFFFAOYSA-N 317.313 -0.661 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc3cncn3c2)CC1 288057984 SRUOWMSSNUSOGD-UHFFFAOYSA-N 302.338 -0.064 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)SCCO1 289275752 XJLKEDFDMZSHHX-ZCFIWIBFSA-N 323.396 -0.934 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C#N)cc(N(C)C)c1 292909800 CIBRZBPDOWHBLF-UHFFFAOYSA-N 317.349 -0.090 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1=O 491013391 UGWQATVHKJRFJV-UAWPZABVSA-N 301.306 -0.409 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@@H](OC(=O)N(C)C)C1 497123574 DAAXLXQIXNXDJZ-VHSXEESVSA-N 300.359 -0.295 50 20 DBGD NC(=O)C1(NC(=O)c2ccc(B(O)O)c(F)c2)CCCCC1 584935442 KNGNIJCFNQQRJO-UHFFFAOYSA-N 308.118 -0.577 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584959160 YUUWEJWQGLUJBR-OTYXRUKQSA-N 306.146 -0.282 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(n2ccnn2)CC1 584965964 WXOVGUYEZSLUME-UHFFFAOYSA-N 300.127 -0.565 50 20 DBGD O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1cccc(B(O)O)c1 584967787 BWCMGVCUFHDXCK-LSDHHAIUSA-N 318.182 -0.651 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)c2ccc(B(O)O)cc2)[C@]12CCCO2 584975340 MTCYWYCJQVJAQT-SQWLQELKSA-N 319.166 -0.177 50 20 DBGD CCn1cc(CN(CCO)C(=O)c2ccc(B(O)O)cc2)cn1 584985686 OMEAUDHTTJGSRO-UHFFFAOYSA-N 317.154 -0.783 50 20 DBGD O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCB(O)O)cc1Cl 585059804 ZYCKDIOKDZVISW-UHFFFAOYSA-N 312.471 -0.322 50 20 DBGD NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCCCl)C1 707499719 WLKRJXRBVFIDSX-QMMMGPOBSA-N 304.821 -0.302 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)CN1CCC(=O)NC1=O 731983485 BNJFZKFNQRCVNI-UHFFFAOYSA-N 318.333 -0.292 50 20 DBGD O=C(O)NCCCC(=O)NNC(=O)COc1ccccc1O 739957566 WISSHWSKONJTBW-UHFFFAOYSA-N 311.294 -0.034 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCN(C)[C@H](C)C1 748635549 PFAGCKNTPZFFNO-UTUOFQBUSA-N 316.402 -0.149 50 20 DBGD Cc1ccccc1C(=O)NN=Cc1c(N)n(C)c(=O)n(C)c1=O 749809112 AKXXLPVFEFNAHJ-UHFFFAOYSA-N 315.333 -0.261 50 20 DBGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C 753551195 NXSMIOYNYAKHJT-VHSXEESVSA-N 312.370 -0.247 50 20 DBGD Cn1c(=O)oc2c(C(=O)NNC(=O)Cc3cc[nH]n3)cccc21 755277303 QJFSONIJMAFEQM-UHFFFAOYSA-N 315.289 -0.142 50 20 DBGD COCC(=O)NNC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 756638249 NWEJWCRHMRBGEP-UHFFFAOYSA-N 316.339 -0.558 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 756937099 YRIFFWCXWQGCNB-UHFFFAOYSA-N 320.331 -0.286 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC12CCCC2 758028075 BYMOBQBHGYKIEX-BDAKNGLRSA-N 303.384 -0.348 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)OC)nc1 771971470 ZQZVDXXNESMPDC-MRVPVSSYSA-N 323.305 -0.029 50 20 DBGD O=C(CO)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 777782124 RFILAWVTEBVMDZ-UHFFFAOYSA-N 308.294 -0.052 50 20 DBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccco1 783529143 XAAWCYYAIXQGEO-UHFFFAOYSA-N 313.291 -0.388 50 20 DBGD COC[C@H](C)[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 812453688 QHNKXUMRNRBGCA-IVZWLZJFSA-N 306.384 -0.513 50 20 DBGD O=C(NC[C@H]1CCCS1(=O)=O)NNc1ncncc1F 814313422 WGANRYGYZBWKIK-SSDOTTSWSA-N 303.319 -0.181 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CS(C)(=O)=O)C1 814643931 VTHGMYGJIXHYMQ-GHMZBOCLSA-N 319.427 -0.311 50 20 DBGD O=C(CCN1C(=O)CCNC1=S)NNC(=O)c1ccccn1 816808204 FZGHEKQQHLECPO-UHFFFAOYSA-N 321.362 -0.661 50 20 DBGD O=C(NCc1cccc(C(=O)O)c1)NNC(=O)C(=O)NC1CC1 821446572 XLKJKJBNBFXRTK-UHFFFAOYSA-N 320.305 -0.506 50 20 DBGD CCCNC(=O)NNC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 823950639 IXRCYKFKYZKLFP-SNVBAGLBSA-N 320.415 -0.167 50 20 DBGD CO[C@@H]1COC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1 830103700 XIGXXASVMGZUIU-CHWSQXEVSA-N 307.350 -0.241 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccnc1F 832063238 GZSCADPSWRXLIU-SSDOTTSWSA-N 316.314 -0.192 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@@H]1C[C@H]1C(=O)O 833441933 KSHOTMBMVAENFF-HTQZYQBOSA-N 315.326 -0.231 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)[C@@H]1CCCS(=O)(=O)C1 846230687 HJDQPWLBIOVLMX-ZJUUUORDSA-N 304.368 -0.472 50 20 DBGD CC1=C(C(=O)NNc2ccncn2)[C@H](C)n2nnnc2N1C 848163471 KBOQXLIEUKTPRH-QMMMGPOBSA-N 301.314 -0.109 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)OCC(F)(F)F 856021875 UXEUDTVDCXXJNX-UHFFFAOYSA-N 321.277 -0.366 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 858285440 WPDISCHTXCHFKT-JTQLQIEISA-N 305.400 -0.149 50 20 DBGD CCN1C[C@H](C)N(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@H]1C 858695040 DJOVGTFLPAMUPH-OUAUKWLOSA-N 311.386 -0.580 50 20 DBGD C=CCOc1cccnc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461315 NQEDGRGIMGPESM-VIFPVBQESA-N 304.306 -0.314 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccccc2F)N1 863413404 HUSPWSINSMNJKM-MRVPVSSYSA-N 301.299 -0.586 50 20 DBGD O=C(/C=C\CN1CCOCC1)NNC(=O)NCc1ccco1 865015954 QKJAJFNQHDTMEI-RJRFIUFISA-N 308.338 -0.002 50 20 DBGD CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)CCCCl 882229339 IRJAILAJJOZXHG-MRVPVSSYSA-N 306.837 -0.138 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1116018880 MWBSCHYOXTWWRD-UHFFFAOYSA-N 310.354 -0.052 50 20 DBGD Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1318851054 PIRYSVGTAIKGAO-QMMMGPOBSA-N 309.370 -0.123 50 20 DBGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)C1CC1 1320224041 JHTXCTHPKAHZGC-UHFFFAOYSA-N 308.294 -0.394 50 20 DBGD O=S(=O)(CBr)NCCCn1cc(CO)nn1 1323870890 IDLKPDSOYZCKFQ-UHFFFAOYSA-N 313.177 -0.568 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCn3ccnc3C2)nn1 1325194030 OCUJDCCENNRLCO-MRVPVSSYSA-N 301.310 -0.522 50 20 DBGD NS(=O)(=O)C1(C(=O)NNC(=O)OCC(F)(F)F)CC1 1334566579 QFCNZRNTPJENFH-UHFFFAOYSA-N 305.234 -0.873 50 20 DBGD CN1C[C@@H](C(=O)NNc2nc(O)c3ccccc3n2)NCC1=O 1578520002 UZVAKLQHMRQTNM-JTQLQIEISA-N 316.321 -0.791 50 20 DBGD O=C(NNC(=O)C1(O)Cc2ccccc2C1)[C@H]1CCCNC1 1580732740 IDCVIQBSDRLBSJ-ZDUSSCGKSA-N 303.362 -0.337 50 20 DBGD O=C(NCc1ncc(C(=O)O)s1)NNC(=O)[C@H]1CCCO1 1601551182 XWKJVSTYDFNTCD-ZCFIWIBFSA-N 314.323 -0.149 50 20 DBGD C[C@]1(C(=O)NNC(=O)C2(CC(=O)O)CCOCC2)CCCO1 1603292618 LRGQPRRJNSCUMN-CYBMUJFWSA-N 314.338 -0.026 50 20 DBGD CC[C@@H](C(=O)O)C(=O)NNC(=O)CNC(=O)c1cccnc1 1604878051 GLGZFWPZPJPPBI-SECBINFHSA-N 308.294 -0.930 50 20 DBGD COc1ccc2c(c1)nc(CNC(=O)NNC(=O)C(=O)O)n2C 1610351906 YCAVLFLULTTXIE-UHFFFAOYSA-N 321.293 -0.503 50 20 DBGD CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1795572868 DNWIZDGOIOPFPW-USZNOCQGSA-N 317.817 -0.214 50 20 DBGD C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843365303 JHURJJQFXPXFND-DTWKUNHWSA-N 305.737 -0.141 50 20 DBGD CN1N=C(C(=O)NNC(=O)COc2ccccc2F)CCC1=O 53165012 SCZQGBNLHPFPCO-UHFFFAOYSA-N 322.296 -0.040 50 20 DBGD COc1cccc(OCC(=O)NNC(=O)C(=O)NC(C)C)c1 55040936 FREYUPJDWMPSJL-UHFFFAOYSA-N 309.322 -0.254 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2cncc(Cl)n2)O1 268475416 ZOJGQQKBZCHQCJ-BQBZGAKWSA-N 314.733 -0.211 50 20 DBGD C#CCN(CC#N)CC(=O)NNC(=O)Cc1nc(C)cs1 281542126 ZMYHVRYNCINCFZ-UHFFFAOYSA-N 305.363 -0.400 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)N1CCCC1 299573970 PYMQLGKETQLFOO-UHFFFAOYSA-N 324.362 -0.752 50 20 DBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(B(O)O)c(F)c1 584936421 INNWWFGYNKKEIF-NWDGAFQWSA-N 322.145 -0.902 50 20 DBGD CC(C)NC(=O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584938259 XJZDUJBCSLKGCI-UHFFFAOYSA-N 318.182 -0.257 50 20 DBGD O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(B(O)O)cc1 584939562 JWQDWGYYGNMBAQ-NSHDSACASA-N 315.138 -0.148 50 20 DBGD Cc1cc(C)n(C[C@@H](C)NC(=O)c2cccc(B(O)O)c2)n1 584940176 QSSMLNFDFJIUOD-LLVKDONJSA-N 301.155 -0.002 50 20 DBGD O=C1CCCN1[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585047126 HSOBPJMHVUPLFC-VXGBXAGGSA-N 306.171 -0.017 50 20 DBGD O=S(=O)(NCB(O)O)c1ccc2nc(Cl)cnc2c1 585056612 ZGXLDJZPKRUQOF-UHFFFAOYSA-N 301.520 -0.427 50 20 DBGD O=C(NN=C1CCS(=O)(=O)C1)c1cccc(-c2nn[nH]n2)c1 738129550 USIXRCKUJFBFJX-UHFFFAOYSA-N 320.334 -0.229 50 20 DBGD O=C(NNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)C1CCC1 738134211 GNULSQCMGVNOPD-UHFFFAOYSA-N 323.338 -0.629 50 20 DBGD NC(=O)COc1ccccc1C(=O)NNC(=O)N1CCOCC1 745991956 NSTSOMKGPMRZQW-UHFFFAOYSA-N 322.321 -0.763 50 20 DBGD COC(=O)COc1c(C)cc(C(=O)NNC(=O)CO)cc1C 753441079 YSUSBUIPMMVGDF-UHFFFAOYSA-N 310.306 -0.391 50 20 DBGD COCCn1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)n1 756310350 ASLQSMUBLVZOHG-UHFFFAOYSA-N 307.314 -0.352 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(O)CCCCC1 758057673 VZQAGBLTALYJOZ-VIFPVBQESA-N 321.399 -0.843 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)nn1-c1ccccc1 764420632 DFTWAXPKNFTZEA-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD O=C(NNC(=O)C1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 771837533 DIQCPLSUTBSPQX-UHFFFAOYSA-N 309.278 -0.103 50 20 DBGD COc1cc(C(=O)NNC(=O)COc2ccccc2O)nn1C 772038766 LBXQCGDXJDNRBA-UHFFFAOYSA-N 320.305 -0.026 50 20 DBGD COc1ccc(NNC(=O)CCCN2C(=O)CNC2=O)nc1 781520039 ZTMZTZZQQZVHJN-UHFFFAOYSA-N 307.310 -0.135 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCn1c(C)cc(O)cc1=O 783613234 GBIVMJAQPMRPQA-UHFFFAOYSA-N 319.321 -0.255 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1C 789734931 QWDIHSSDMGPOIE-UHFFFAOYSA-N 300.702 -0.224 50 20 DBGD C[C@H]1C[C@@H](N2CCOCC2)CN1CC(=O)NNC(=O)C1CC1 796373779 CHLXGIZLUPQLAH-WCQYABFASA-N 310.398 -0.661 50 20 DBGD COC(=O)N(C)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 822838376 WMHXWHIGFMJUNN-NTSWFWBYSA-N 318.273 -0.061 50 20 DBGD CC[C@@H]1CCC[C@@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 825732282 SOYQPAUGAWMQKI-AEJSXWLSSA-N 305.400 -0.102 50 20 DBGD Cc1onc(CC(=O)NNC(=O)NCC2CC2)c1-c1nn[nH]n1 826348393 KBWCDICRZIIJPC-UHFFFAOYSA-N 320.313 -0.554 50 20 DBGD COc1nccc(C=NNC(=O)[C@@H](C)CN2CCOCC2)n1 834935140 ZIMJGISELDJUGQ-NSHDSACASA-N 307.354 -0.096 50 20 DBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)c1cccc(F)n1 852220427 AWFLQLOVVNEYLP-UHFFFAOYSA-N 311.317 -0.063 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=S)N[C@@H](C)C1CC1 855096571 CISCOTLFYQWNAV-WPRPVWTQSA-N 316.427 -0.587 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cnc(C3CC3)nc2)N1 860599146 XLBBJKIZLCEQMP-SECBINFHSA-N 304.310 -0.215 50 20 DBGD COC1(OC)CCOC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 931673112 NVZRQWQZZCRXJY-SNVBAGLBSA-N 317.386 -0.453 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNCC(F)(F)C(F)(F)F 1118889316 HATAINGJCLSJHY-SCSAIBSYSA-N 318.202 -0.207 50 20 DBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)Cc2ccncc2)S1 1252481206 DGLDRHBJCOXSAO-QMMMGPOBSA-N 307.335 -0.672 50 20 DBGD Cn1cc(CCCNC(=O)NNC(=O)C(=O)N2CCCC2)cn1 1318200738 YHYGAWMMSAEUNP-UHFFFAOYSA-N 322.369 -0.695 50 20 DBGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cnn(C)c2)CC1 1318567704 VPJAGPRVCBFSKJ-UHFFFAOYSA-N 322.369 -0.425 50 20 DBGD NS(=O)(=O)c1cnn(CCC(=O)NNc2ccccn2)c1 1320685166 ZJQIEEPIQRGPND-UHFFFAOYSA-N 310.339 -0.541 50 20 DBGD CCn1nc(NC(=O)C(=O)NNC(=O)COC)cc1C1CC1 1323943686 KOCHPNGUOGXMMN-UHFFFAOYSA-N 309.326 -0.487 50 20 DBGD CC(C)(C)C(=O)Cn1cc(C(=O)N2CC[C@@H](B(O)O)C2)nn1 1331896251 PVOFIWZFJSDFQQ-SECBINFHSA-N 308.147 -0.418 50 20 DBGD C[C@]1(CNC(=O)C(=O)N(CCN)CCO)C[C@@H]1Br 1334720343 FSUUAJUFHQKEPJ-GZMMTYOYSA-N 322.203 -0.944 50 20 DBGD CCON1CCC(CC(=O)NNC(=O)CS(C)(=O)=O)CC1 1335369412 ZMUYOGVMARJKAP-UHFFFAOYSA-N 321.399 -0.768 50 20 DBGD O=C(/C=C/[C@@H]1CCCNC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1580493904 MZZHZPQVDMNEAU-MJKAUQOVSA-N 315.395 -0.876 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@H]1CNOC1 1580576633 QVOKWVSYFAFAHD-JTQLQIEISA-N 304.310 -0.889 50 20 DBGD Cn1ncc(C(=O)O)c1NC(=O)C(=O)NNC(=O)C1CCC1 1601024056 XTBFJBCRABBGFE-UHFFFAOYSA-N 309.282 -0.996 50 20 DBGD CCO/C=C(\C#N)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609239722 UOKWZKGTKLVJTL-SOFGYWHQSA-N 303.286 -0.982 50 20 DBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2 1799270664 SDWHWLUPKNRLIW-LDMBFOFVSA-N 318.801 -0.026 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ccc(F)cc1 45080592 JWTSTQSGUZQFPH-UHFFFAOYSA-N 301.343 -0.001 50 20 DBGD COC(=O)C[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 268558922 CXFCPEXYYUIXHH-SNVBAGLBSA-N 323.353 -0.045 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@]1(O)CCSC1 271007062 RFZJLLHEPKAFTF-AWEZNQCLSA-N 320.374 -0.108 50 20 DBGD CC(C)(O)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 279841875 FZUBINKXLGLIBC-UHFFFAOYSA-N 304.310 -0.416 50 20 DBGD COC(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 280881665 CNRZRZKWLOFQSK-UHFFFAOYSA-N 322.321 -0.255 50 20 DBGD CC1=C(C(=O)NNC(=O)c2ccccn2)S(=O)(=O)CCO1 281205763 QDODEMODDLKABX-UHFFFAOYSA-N 311.319 -0.481 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1nnc[nH]1 293512403 AFPSZAGRLNZPTJ-ZRUAGYDASA-N 302.294 -0.945 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2nnc(S)n2c1 294773984 YKUCNSZLRVKINS-QMMMGPOBSA-N 307.335 -0.042 50 20 DBGD COC(=O)[C@@H](O)CNC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C 490813044 NQNNCEBHMXWGJD-HQAMWZJRSA-N 316.317 -0.238 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 496955520 LWAPBWKRDZNXNP-QMMMGPOBSA-N 322.387 -0.241 50 20 DBGD CN(C)C(=O)C1(CNC(=O)c2cccc(B(O)O)c2)CCCC1 584945997 OBVJXULXUHUYKL-UHFFFAOYSA-N 318.182 -0.255 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCN(C2CCC2)CC1 584946047 OZMOXPJROVYPIL-UHFFFAOYSA-N 306.146 -0.184 50 20 DBGD O=C(NCc1noc(C2CC2)n1)c1ccc(B(O)O)c(F)c1 584969523 VNKQMTTUAZGUTJ-UHFFFAOYSA-N 305.074 -0.304 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC(c2nnc(O)o2)CC1 584987660 XWIWJPINQOOXBN-UHFFFAOYSA-N 317.110 -0.525 50 20 DBGD CN(C)CC(=O)NNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 733359721 PNYRGOAVYZKYEO-UHFFFAOYSA-N 320.309 -0.347 50 20 DBGD CCNC(=O)NNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 756813755 WEKLYRJAJQUUCG-HNNXBMFYSA-N 320.349 -0.256 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccccc1)CC(=O)N(C)C 764192106 LXFYZTXBGCTIDJ-UHFFFAOYSA-N 306.366 -0.142 50 20 DBGD O=C(CN1CCn2ncnc2C1)NNC(=O)c1ccccc1 770685322 HGMYADIBSMEESC-UHFFFAOYSA-N 300.322 -0.445 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2c[nH]nc2-c2cnn(C)c2)cn1 780748801 CJJBWXINYBQEHL-UHFFFAOYSA-N 314.309 -0.382 50 20 DBGD Cn1cc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])nn1 808374938 GJSCLGACICRSPR-UHFFFAOYSA-N 320.265 -0.437 50 20 DBGD CCN(CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 823846998 PZMOISDJPKWXIE-VIFPVBQESA-N 321.424 -0.240 50 20 DBGD CCN(CCO)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 823897663 IIZSQYYBGBIJFW-SFYZADRCSA-N 318.317 -0.445 50 20 DBGD CN1C(=O)CC[C@@H]1CC(=O)NNC(=O)COc1ccccc1O 826774120 OUDCNTBDPICFTF-SNVBAGLBSA-N 321.333 -0.071 50 20 DBGD CCS(=O)(=O)CCN(C)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827284402 WESJCTNAIITREH-ZJUUUORDSA-N 321.399 -0.481 50 20 DBGD CNS(=O)(=O)NCC(=O)NNc1cccc([N+](=O)[O-])c1C 827520665 IHECHUQMTULMKV-UHFFFAOYSA-N 317.327 -0.600 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2c(c1)NC(=O)CO2 843980908 YCXPURKARRWQRN-IONNQARKSA-N 320.305 -0.402 50 20 DBGD CC1=C(C(=O)NN=c2cc[nH]cc2)[C@@H](C)n2nnnc2N1C 847689991 FTOZLIBTXGVGIF-SECBINFHSA-N 300.326 -0.082 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)CNc2ccccc2)c1=O 848367349 HWUCLDVRBFKKLX-UHFFFAOYSA-N 318.337 -0.769 50 20 DBGD NC(=O)C(=O)NN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 853260567 ZBQXEPIMFMCYKA-UHFFFAOYSA-N 306.282 -0.453 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1NC(=O)O[C@@H]1C 854284414 JKZRWJSDONAZCI-HTQZYQBOSA-N 304.372 -0.643 50 20 DBGD COCC1CCC(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858542437 VNGQMXKIOKPRPC-VQXHTEKXSA-N 312.370 -0.199 50 20 DBGD CC[S@](=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862450266 PSJBRHHDGYTYOL-MGUXCZDKSA-N 323.374 -0.146 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)N1 862450704 ZNVRVTZZCFUQLB-QWRGUYRKSA-N 317.301 -0.806 50 20 DBGD O=C(CSC[C@H]1CCCCO1)NNC(=O)[C@@H]1CCC(=O)N1 862456476 YPZJNSRYYPFDAY-ZJUUUORDSA-N 315.395 -0.285 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CCCCC1)c1cn[nH]c1 862470030 XSCUGQQMYGUMMB-UHFFFAOYSA-N 304.314 -0.483 50 20 DBGD CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc(B(O)O)ccc1F 863880537 CLOMIIGDFVWANJ-SECBINFHSA-N 311.118 -0.081 50 20 DBGD COC(=O)N1CCC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 865113012 NEFWWJHWCJGOCO-JTQLQIEISA-N 324.117 -0.534 50 20 DBGD CCOC(=O)[C@@H](C(=O)NNC(=O)N1CCOCC1)C(C)C 874249012 NBIDPAHRVOLCPS-SNVBAGLBSA-N 301.343 -0.105 50 20 DBGD O=C1CN(CC(=O)NNc2ncnc3ccsc23)CCN1 901105422 GANIUTZBPSADBZ-UHFFFAOYSA-N 306.351 -0.434 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 912920945 GSYQJLLJRCZKBP-GARJFASQSA-N 314.386 -0.842 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)c1nnc2ccccn12 1116182077 STOGLYGJICVNNL-ZETCQYMHSA-N 306.282 -0.706 50 20 DBGD C[C@@H]1C[C@@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)CCO1 1116453788 WNVCRVZAOQSYNP-MNOVXSKESA-N 312.370 -0.246 50 20 DBGD Nc1cnnc(NNC(=O)NCC(=O)N2CCCC2)c1Cl 1319289441 JDENITALGSNQBM-UHFFFAOYSA-N 313.749 -0.039 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCCOCC1 1319844924 UGYJPDRCPYQNDR-SNVBAGLBSA-N 324.337 -0.091 50 20 DBGD CC(C)(C)c1nsc(NC(=O)C(=O)NNC(=O)CCO)n1 1320357775 HEVMEIUXOXLCJW-UHFFFAOYSA-N 315.355 -0.696 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O)n1 1326826526 FWPSIQKZGQPZRU-VIFPVBQESA-N 314.367 -0.233 50 20 DBGD CC(C)(C(=O)NNC(=O)CS(C)(=O)=O)C1CCOCC1 1329128668 VHMUPPJMBQZFMD-UHFFFAOYSA-N 306.384 -0.369 50 20 DBGD COCCc1ncc(C=NNC(=O)CS(C)(=O)=O)s1 1332319363 PYDKIMYJANNPKI-UHFFFAOYSA-N 305.381 -0.173 50 20 DBGD O=C(NNS(=O)(=O)c1cn[nH]c1)c1n[nH]c2c1CCCC2 1337781050 NLSGLTAFNKIHRR-UHFFFAOYSA-N 310.339 -0.365 50 20 DBGD Cn1cc(CC(=O)NNc2ccccc2S(N)(=O)=O)cn1 1344050465 WQTJCCKSMQSYHX-UHFFFAOYSA-N 309.351 -0.247 50 20 DBGD C[C@@H]1C[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CCN1 1579467042 BECHHVKSANLOGA-IJLUTSLNSA-N 303.428 -0.133 50 20 DBGD NCCN(CC(=O)NNC(=O)[C@H]1CCCO1)Cc1ccccc1 1580306426 VWZXPBBJZLJVLG-CQSZACIVSA-N 320.393 -0.226 50 20 DBGD CC(=O)NNC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C 1589150200 MMLPDVWAEBBUSK-MRVPVSSYSA-N 303.315 -0.088 50 20 DBGD COc1cc(-c2nn[nH]n2)ccc1NC(=O)NNC(=O)CCO 1591494565 KNWLOAFEJUMUQV-UHFFFAOYSA-N 321.297 -0.590 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)Nc1ccnc(-c2nn[nH]n2)c1 1593158928 MRCMOOUPAXYOOY-UHFFFAOYSA-N 314.269 -0.549 50 20 DBGD O=C(NCc1ccc(N2CCCC2=O)cc1)NNC(=O)C(=O)O 1601538534 AOZOVKPTDDQMDV-UHFFFAOYSA-N 320.305 -0.272 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1606411652 YTAYGIGJGFXAAJ-JGVFFNPUSA-N 302.298 -0.784 50 20 DBGD Cc1cc(F)c(S(=O)(=O)NNC(=O)NCC(=O)O)c(F)c1 1607661681 GAYWXTVTALHQIH-UHFFFAOYSA-N 323.277 -0.150 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 113427344 SKZPINDSEMKPBI-SSDOTTSWSA-N 310.276 -0.894 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)COc2ccccc2OC)CC1 264283216 FMCJIXKXEGXJHZ-UHFFFAOYSA-N 321.333 -0.252 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)CN(C)C)nc1C 265037709 HIGKZPXECVPPAQ-UHFFFAOYSA-N 308.338 -0.111 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@H](C)NS(C)(=O)=O)n1 266911798 JJRIBMVLHJRUIU-ZETCQYMHSA-N 303.344 -0.826 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C[C@@H]1CCCO1 268815830 HSOLVHJECAQGOI-NSHDSACASA-N 306.322 -0.472 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)CN(C)C(C)=O)nc1C 272160360 HNRCIGSJXBWZIB-UHFFFAOYSA-N 309.326 -0.117 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)CC2 584938763 BMAKDJJNNRPWQC-SNVBAGLBSA-N 318.117 -0.850 50 20 DBGD CSC[C@@H](CCO)NC(=O)c1cc(B(O)O)ccc1F 584962611 ITSUCEHQAHMFCI-SECBINFHSA-N 301.148 -0.651 50 20 DBGD O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(B(O)O)cc1 585005323 DZIPHAHOVYKZOZ-HNNXBMFYSA-N 318.182 -0.651 50 20 DBGD CC1=C(C(=O)N2CC[C@H](B(O)O)C2)[C@H](C)n2ncnc2N1C 585064110 MORIPUPGUDJDMK-UWVGGRQHSA-N 305.147 -0.362 50 20 DBGD O=C(NNS(=O)(=O)C[C@H]1CCCCO1)N1CCOCC1 740811658 RVKZUGXCLHYPBJ-SNVBAGLBSA-N 307.372 -0.568 50 20 DBGD O=C(CCn1ccccc1=O)NNC(=O)C(=O)N1CCCC1 748240153 AUYZGIAENYXUDQ-UHFFFAOYSA-N 306.322 -0.992 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN(C)C1CC1 748633321 SSMDHJVSWNRJEN-JTQLQIEISA-N 302.375 -0.538 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 764429775 YNOADZYGJSTKRA-UHFFFAOYSA-N 316.657 -0.674 50 20 DBGD N=C1NC(=O)[C@H](CC(=O)NNc2cc(Cl)nc(N)n2)S1 773864077 SZXRYOQPRHTCFY-VKHMYHEASA-N 315.746 -0.288 50 20 DBGD Nc1ccccc1S(=O)(=O)NCC(=O)NNC(=O)C1CC1 774326214 HYZXSBIXLNDHIG-UHFFFAOYSA-N 312.351 -0.896 50 20 DBGD CNC(=O)[C@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CCO1 782098852 OXVIFMIBBPJFNO-WDEREUQCSA-N 314.386 -0.985 50 20 DBGD Cn1ncc(C=NNC(=O)c2csc(N3CCOCC3)n2)n1 814750839 AOSIYELLXMILPK-UHFFFAOYSA-N 321.366 -0.128 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1nc2ccccc2n1C 816577788 ABUVMEHMZDYVQA-UHFFFAOYSA-N 318.337 -0.731 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CNC(=O)NCc1ccc(F)cc1 823983044 JRBQJIGJAUYBJG-JTQLQIEISA-N 312.345 -0.031 50 20 DBGD CC(C)[C@@H](NC(=O)O)C(=O)NNc1nc(O)c2cnn(C)c2n1 824137548 SVANZIPIYIJYBW-SSDOTTSWSA-N 323.313 -0.196 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCNC(=O)C(C)(C)C 825925537 PYFYHLCQDYMDNW-ZJUUUORDSA-N 314.386 -0.096 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 836320162 YRDNEHBWPHVLPE-GHMZBOCLSA-N 312.370 -0.105 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(CO)(NC(C)C)CC1 846937540 KZYWDEOFRLZLSD-GFCCVEGCSA-N 314.430 -0.243 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)c2cccn2C)n1 847298867 WZUDDOQTGQNZHR-UHFFFAOYSA-N 304.354 -0.142 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C[C@H](C)NC(N)=O)nc1C 847673436 GMPOMNLXZXGXDR-ZETCQYMHSA-N 324.341 -0.148 50 20 DBGD C[C@@H](NC(=S)NNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 855102614 KUDHHBJKWHEGBT-ZCFIWIBFSA-N 313.343 -0.520 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCS1(=O)=O)c1cccc(F)n1 856423009 JZYQQYRRZGEBCK-VIFPVBQESA-N 315.326 -0.051 50 20 DBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1 860463674 YDNXSOQKVOIPHL-QMMMGPOBSA-N 317.346 -0.270 50 20 DBGD COc1ccc(/C=C\C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1O 862461064 LGVCBFXRTUWIDZ-XICOKMJESA-N 319.317 -0.160 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=S)NC[C@H]2CCCCO2)N1 863203286 CZYKGKHVGSPUGA-BDAKNGLRSA-N 300.384 -0.671 50 20 DBGD COC(=O)CC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863886023 SHUXLSJTBUFRCA-UHFFFAOYSA-N 305.139 -0.218 50 20 DBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NN(C)C[C@@H](C)O 910170349 KJIQRYGQZPBNMD-BDAKNGLRSA-N 321.424 -0.241 50 20 DBGD CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)OC)C1 1116210307 DQTWHTPYVPXFOM-FQJNGZCASA-N 319.383 -0.430 50 20 DBGD O=C(CCc1ncccn1)NNC(=O)CNC(=O)c1ccco1 1117705296 IDCZCEXVWOWQKN-UHFFFAOYSA-N 317.305 -0.420 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ncnc2ccsc12 1118544139 AZIPHJOPWAACHA-UHFFFAOYSA-N 307.335 -0.023 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCC2(CC1)C[C@@H](O)CCO2 1119934297 JMNRGSSOFFJWPM-LBPRGKRZSA-N 313.398 -0.204 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N(C)C)cn1 1319963495 MKMCDQCSOZLFHM-UHFFFAOYSA-N 302.312 -0.667 50 20 DBGD CC(C)(C)c1ncc(NC(=O)C(=O)NNC(=O)CCO)cn1 1320521414 VKSOQHOZZYUGFR-UHFFFAOYSA-N 309.326 -0.758 50 20 DBGD Cn1cc(/C=C(/C#N)S(=O)(=O)NC2CC2)c(=O)n(C)c1=O 1324491465 KTPKZLYZQLIPEU-YHYXMXQVSA-N 310.335 -0.970 50 20 DBGD COCCOCC(=O)NN=Cc1cn(C[C@@H]2CCCO2)nn1 1330110823 YOTYXFFKSOZFPC-LBPRGKRZSA-N 311.342 -0.430 50 20 DBGD COC[C@@H](C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1331970171 JEHIGGRSIQWRRL-IUCAKERBSA-N 307.372 -0.824 50 20 DBGD CS(=O)(=O)CC[C@H](N)C(=O)NNC(=S)NCC1CCC1 1579341037 SREJBVKFLRDHJI-VIFPVBQESA-N 322.456 -0.956 50 20 DBGD O=C(NNC(=O)C1CCOCC1)c1cc(-c2nn[nH]n2)ccn1 1582561814 WGTIGNUFVKICLM-UHFFFAOYSA-N 317.309 -0.551 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCC1)[C@@H]1CCc2nncn2C1 1594778978 GWOOJRKZAPBCNM-MRVPVSSYSA-N 307.310 -0.757 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)cc1F 1600340916 CXTLAGWJQLELNO-UHFFFAOYSA-N 321.268 -0.115 50 20 DBGD C[C@H](O)CN(C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 1603699390 IOGOSBADZMHMCU-VIFPVBQESA-N 306.326 -0.411 50 20 DBGD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCCl 1606056918 GEWIOYZBKZNGQP-SSDOTTSWSA-N 319.788 -0.871 50 20 DBGD CCc1ccc(NC(=O)C(=O)NNC(=O)COC)c(C(=O)O)c1 1610063155 NRVOEKHRNGFNMW-UHFFFAOYSA-N 323.305 -0.321 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)c1ccncc1 266034110 NBJVRIALOLJMIS-UHFFFAOYSA-N 300.340 -0.830 50 20 DBGD COc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)ccn1 299490071 JIUSSNOARFODEQ-UHFFFAOYSA-N 321.337 -0.457 50 20 DBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)CO)cc1 376749231 GEGFJKIPTNGHSK-LBPRGKRZSA-N 321.333 -0.561 50 20 DBGD O=C(/C=C/c1ccc(O)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 492614594 QFGUOIXNDBWYIS-ZXCPCRMDSA-N 324.358 -0.013 50 20 DBGD Cc1cnn(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 494741350 FETBBMSDEOXAFH-UHFFFAOYSA-N 311.342 -0.136 50 20 DBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)N1CCOCC1 496012814 WPEUBUHHAZPCAS-UWVGGRQHSA-N 316.358 -0.170 50 20 DBGD CNC(=O)OC[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 496468637 JAFKFWVWWNMLOM-NSHDSACASA-N 312.370 -0.246 50 20 DBGD C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(B(O)O)c1 584945964 MZOINDHKRXVVQU-NXEZZACHSA-N 313.184 -0.740 50 20 DBGD O=C(NCCCCn1ccnc1)c1cc(B(O)O)ccc1F 584946681 XZJYIMRYLLXZSU-UHFFFAOYSA-N 305.118 -0.088 50 20 DBGD COCCOC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)C1 584955536 OMDAQNHYTVGDOU-LBPRGKRZSA-N 307.155 -0.509 50 20 DBGD CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(B(O)O)c2)C1 584965273 OXWNKYGWZXJXQD-ZFWWWQNUSA-N 302.183 -0.077 50 20 DBGD CC(C)(CNCc1ccc(B(O)O)cc1F)N1CCOCC1 585013932 CFXRGBIMLLASMY-UHFFFAOYSA-N 310.178 -0.294 50 20 DBGD OB(O)c1cccc(CNC[C@H]2CN3CCCC[C@@H]3CO2)c1 585032457 VFAYMZOTETUGNY-CVEARBPZSA-N 304.199 -0.291 50 20 DBGD NS(=O)(=O)c1cc(N2CC[C@H](B(O)O)C2)cc([N+](=O)[O-])c1 585072427 AOASQIUZNBCGHI-ZETCQYMHSA-N 315.116 -0.705 50 20 DBGD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](B(O)O)C1 585078538 GCCGFBJTVIJVBE-ZETCQYMHSA-N 315.116 -0.705 50 20 DBGD CC(=O)NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730585124 PQVIZMNOYSOVMZ-NSHDSACASA-N 319.317 -0.022 50 20 DBGD C[C@H](Oc1cccnc1)C(=O)NNC(=O)C(=O)N1CCCC1 735468189 JLOWGADGXUUFKZ-JTQLQIEISA-N 306.322 -0.381 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 737750272 CKHFOVNAYOWQQQ-UHFFFAOYSA-N 302.308 -0.374 50 20 DBGD CCN1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C)C1 741464138 MWDBCLMHOUIGDO-VHSXEESVSA-N 304.416 -0.242 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)Cc1cccnc1 754749938 XVRNRBYBUQIIPN-UHFFFAOYSA-N 317.367 -0.762 50 20 DBGD CCCCC=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 755619668 PJDLJUFSUOQBDP-UHFFFAOYSA-N 313.383 -0.137 50 20 DBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 758831236 DPZCYVJNQXINEK-NSHDSACASA-N 315.333 -0.735 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 765396257 OSVARKHDSPKRJH-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H](CO)OC[C@@H]2C)cc1 766942536 DIROLYWHYTWGMT-GXTWGEPZSA-N 321.377 -0.162 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CSc2n[nH]c(O)n2)cc1 772225887 JMJUZDHAYCKBMX-UHFFFAOYSA-N 318.318 -0.065 50 20 DBGD CN(C)Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 787857734 KUCHOZSYVVPMBW-UHFFFAOYSA-N 304.350 -0.212 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(=O)n1C 807369045 PTSXKAUJCCDBNW-UHFFFAOYSA-N 311.338 -0.065 50 20 DBGD O=C(NNC(=O)[C@H]1CCCSC1)N[C@H]1CCS(=O)(=O)C1 810581325 NIFMLEJCFDFGGT-IUCAKERBSA-N 321.424 -0.353 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)c1cc(OC)cc(OC)c1 814212216 JHYMFAHCOWHIHE-UHFFFAOYSA-N 324.337 -0.216 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C1CCCC1 823299825 GSQSNPJRGWMJMU-LLVKDONJSA-N 312.370 -0.199 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)[C@@H]1OC 826542292 LHWYDWIASPBJJJ-MJDLHHQISA-N 315.370 -0.066 50 20 DBGD Cc1ccc(NNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)nn1 845421011 YTBIWWXBVHIDCL-VIFPVBQESA-N 314.371 -0.555 50 20 DBGD Cn1cccc1C(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 849193849 OTRZVNUIEOFRBG-CYBMUJFWSA-N 308.363 -0.148 50 20 DBGD CNC(=S)N(C)NC(=O)c1cn(C)nc1-c1cnn(C)c1 854919674 ALYLHBCJSXPXOC-UHFFFAOYSA-N 307.383 -0.099 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-n2cncn2)n1 855006650 PLAOFRGUFKOHOZ-NXEZZACHSA-N 316.321 -0.152 50 20 DBGD CC(C)[C@H](CNC(=O)NNC(=O)c1cn[nH]c1)N1CCOCC1 858126760 IUXGNDUPULINMO-LBPRGKRZSA-N 324.385 -0.290 50 20 DBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)n1 860771650 ZBOBWCQBJSPFGC-SECBINFHSA-N 307.310 -0.170 50 20 DBGD COC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)[C@H]1CCC(=O)N1 863378537 FHAMDKRLIBMQJU-VXGBXAGGSA-N 323.324 -0.191 50 20 DBGD NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)CCCCl)C1 881909575 NEJBDGULENYIFX-VIFPVBQESA-N 318.848 -0.054 50 20 DBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 913730377 SWMZFBFIHBWJLP-NSHDSACASA-N 310.354 -0.843 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)[C@@H]1CN(C)CCO1 1118185486 DQUPDBRLUFQCHB-QCNOEVLYSA-N 314.386 -0.539 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H](CO)CCF 1118278317 XSHMDDLMBALWEQ-MRVPVSSYSA-N 316.289 -0.940 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnns1 1253071944 SIAMVBAXXUOWJL-UHFFFAOYSA-N 306.307 -0.876 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCOC[C@H]1C 1261451764 HVIYUYIFOYUFCE-GRYCIOLGSA-N 314.386 -0.538 50 20 DBGD N#CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCOCC1 1318419113 GDZXLBFLSMZKNP-UHFFFAOYSA-N 320.305 -0.523 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CCC1 1319352012 BAQMOPODYJHXRO-UHFFFAOYSA-N 305.338 -0.295 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccnc1Br 1320230947 CDFFIGVWLDZSQW-UHFFFAOYSA-N 301.100 -0.050 50 20 DBGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC)cc1 1320544324 RBFBCCLWUCJXFJ-UHFFFAOYSA-N 308.294 -0.238 50 20 DBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1ccc[nH]1 1322552711 GSUKREMPAKPFJQ-NSHDSACASA-N 308.386 -0.405 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCSCC1 1322771089 JFSQVXZZEVPVRR-SECBINFHSA-N 306.409 -0.288 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@H]1CCS(=O)(=O)C1 1325289668 PCVDGOFWDKHGQS-IUCAKERBSA-N 305.356 -0.927 50 20 DBGD C[C@@]1(CNC(=O)C(=O)NCC2CNC2)C[C@@H]1Br 1328561100 LPJHSJSRRHCFHY-KWQFWETISA-N 304.188 -0.388 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 1337966886 IZLKSKROMXLRRF-UHFFFAOYSA-N 304.328 -0.554 50 20 DBGD O=C(NNC(=O)c1nnc2ccccc2n1)C(=O)N1CCCC1 1347341816 YVUZUJXGAWTGQG-UHFFFAOYSA-N 314.305 -0.592 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1 1579017000 QLIXFYHHNVSXFR-YUMQZZPRSA-N 312.292 -0.106 50 20 DBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 1601553871 XZRCSQDYRODSEN-BFVZDQMLSA-N 311.338 -0.003 50 20 DBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2)[C@H](O)CCl 1792983548 ODUKLKLZQWWAAU-WRWGMCAJSA-N 316.785 -0.414 50 20 DBGD CC(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1795066526 ZVEGRATVJJIEFV-USZNOCQGSA-N 318.801 -0.168 50 20 DBGD O=C(c1cnccn1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349830 RCEJLRUDZKBWMV-NSHDSACASA-N 324.768 -0.107 50 20 DBGD Cc1c(C(=O)NNC(=O)CO)nnn1Cc1ccc(F)cc1 193840656 VXLNJKRLKAIABB-UHFFFAOYSA-N 307.285 -0.473 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 271960235 UDUQMHAUBHBRJH-SPQRFVMMSA-N 301.368 -0.077 50 20 DBGD COC(=O)N(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 286482430 VILJEDXARMKLOA-MPKXCIJOSA-N 307.306 -0.477 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1cc(C)ccn1 290578273 ZYJAWXRXWNODNX-UHFFFAOYSA-N 316.383 -0.211 50 20 DBGD O=C(CN1Cc2ccccc2C1=O)NNC(=O)[C@@H]1CCCO1 292088338 GMRBHVVCNVSVDV-LBPRGKRZSA-N 303.318 -0.031 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@H](O)c1cnn(C)c1 292699504 NNLDQEQBKFJMDL-CQSZACIVSA-N 318.333 -0.148 50 20 DBGD N#Cc1cccc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 299420127 HREADJZHJBTJEA-UHFFFAOYSA-N 310.335 -0.207 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)N1CCCC1 299610755 XOODVYPXZQPDRK-UHFFFAOYSA-N 316.317 -0.293 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)c2cccc(C#N)c2)C1 492589159 RXYZVAHFWSIUMU-UHFFFAOYSA-N 317.305 -0.047 50 20 DBGD Cn1nncc1C=NNC(=O)NCCNC(=O)OC(C)(C)C 492994292 UDYZAYAEXRCDFO-UHFFFAOYSA-N 311.346 -0.027 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cn1 494420247 ZLFGFFFQSIZEKJ-UHFFFAOYSA-N 316.339 -0.102 50 20 DBGD CC(C)(C)OC(=O)N[C@H](C(=O)NNC(=O)CO)C1CCC1 496362922 NTUZGZPRQKFDSS-JTQLQIEISA-N 301.343 -0.181 50 20 DBGD CC[C@H](C)NC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 584934642 VSFIWVYNQNXUOU-VIFPVBQESA-N 310.134 -0.460 50 20 DBGD CCN(CC)C(=O)CCCNC(=O)c1ccc(B(O)O)cc1 584944830 GATADOXWQHUIOV-UHFFFAOYSA-N 306.171 -0.255 50 20 DBGD Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584967524 WGNZDKFFLYBEOM-LLVKDONJSA-N 317.129 -0.131 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CN3CCCC[C@H]3CO2)cc1 585032503 VYABDKNQROXUAV-JKSUJKDBSA-N 304.199 -0.291 50 20 DBGD Cc1cc(=O)c(C(=O)NCB(O)O)nn1-c1ccccc1F 585061254 UBNYXVJJBHLFHF-UHFFFAOYSA-N 305.074 -0.578 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)C1(C(N)=O)CC1 731597246 HDGDTTBZJYRZFG-UHFFFAOYSA-N 321.333 -0.123 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1N 749334960 KQLPDPGOMGGVCO-UHFFFAOYSA-N 309.282 -0.537 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc2occc2[nH]1 750829385 QINOAZIFYVOEKE-ZETCQYMHSA-N 311.319 -0.043 50 20 DBGD NC(=O)c1cccc(NC(=O)NNC(=O)Cc2cccnc2)n1 757738105 ISMAZOHFVQATFK-UHFFFAOYSA-N 314.305 -0.029 50 20 DBGD CC[C@@H](C)n1nc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1C 764211868 LXQLYJCTJWHJPP-SECBINFHSA-N 324.385 -0.190 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1sccc1C(=O)OC 764303443 KTRQHKSOCKWNAE-UHFFFAOYSA-N 315.307 -0.733 50 20 DBGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(C)=O)c1 795279074 OLMILLGTYMDFLK-UHFFFAOYSA-N 315.351 -0.608 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)COC(F)F 803204634 XGIOGTFDEATYGR-UHFFFAOYSA-N 302.237 -0.802 50 20 DBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ncccc2F)c1 804216325 HVOPWKHLBCCAET-UHFFFAOYSA-N 314.302 -0.792 50 20 DBGD CC(=O)N1C[C@H]2[C@@H](NCC(=O)NNC(=O)C3CC3)CCC[C@H]2C1 808784003 WJPGGCFAGKHIKL-MJBXVCDLSA-N 322.409 -0.220 50 20 DBGD O=C(NC[C@H]1COc2ccccc21)NNC(=O)C(=O)NC1CC1 812440436 ASZFFKYDJGYDQN-VIFPVBQESA-N 318.333 -0.228 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 826138432 UUPXGGXGWXVGAT-UHFFFAOYSA-N 303.282 -0.327 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCOCCN(C)C 826979468 OANVKAFWTWLOTF-GHMZBOCLSA-N 302.375 -0.680 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)CCO1 838111410 DMTIEELFRNCMDQ-NEPJUHHUSA-N 314.386 -0.393 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843646387 PYVVEAGYMKYGLM-XHNCKOQMSA-N 313.383 -0.132 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 843653634 CPGXLYJANVUWAW-CABZTGNLSA-N 305.334 -0.100 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)NCc1ccco1 843973910 MJKVQKGUCAXYNZ-MWLCHTKSSA-N 324.337 -0.349 50 20 DBGD Cc1ccn2cc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)nc2c1 862450537 WAJJJIMMIOGXQQ-VIFPVBQESA-N 301.306 -0.318 50 20 DBGD CNS(=O)(=O)CCCNC(=O)/C(C#N)=C/c1cnn(C)c1 863430272 WDKPXZZOQKWPLZ-IZZDOVSWSA-N 311.367 -0.617 50 20 DBGD CC(C)Nc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cn1 863465569 BVLWMNOCOIQKBS-UHFFFAOYSA-N 314.367 -0.293 50 20 DBGD CCn1ncc(Cl)c1C(=O)NNC(=O)COCCOC 869901391 RURYYNDGPJAMFJ-UHFFFAOYSA-N 304.734 -0.020 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](C)Sc1nnnn1C1CC1 910168578 OVRJMQDCBTZIRE-YUMQZZPRSA-N 300.388 -0.168 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 912920947 GSYQJLLJRCZKBP-GMTAPVOTSA-N 314.386 -0.842 50 20 DBGD C[C@]1(C(=O)NN2CCS(=O)(=O)CC2)C[C@@H]1Br 912999457 STMXSBMPXJIAJY-CBAPKCEASA-N 311.201 -0.079 50 20 DBGD O=C(NNc1ncccn1)C1=CC=CN2CCS(=O)(=O)N=C12 913044079 ONIBDVQJUHGHLW-UHFFFAOYSA-N 320.334 -0.583 50 20 DBGD COC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)CC1 913242784 LZTMNQYCPCZGBB-NTUHNPAUSA-N 317.349 -0.356 50 20 DBGD O=C(CN1CCCNC1=O)NNC(=O)c1ccc(Cl)nc1 917252227 GRKUUFIIEQJQED-UHFFFAOYSA-N 311.729 -0.089 50 20 DBGD COc1ccc(CC(=O)NNC(=O)CS(C)(=O)=O)cc1 919684415 WBLNVGRDUNKFAB-UHFFFAOYSA-N 300.336 -0.570 50 20 DBGD CC(Cn1cncn1)=NNC(=O)Cc1cc(O)nc(S)n1 1118524224 XWSHOTNUZWIERM-UHFFFAOYSA-N 307.339 -0.203 50 20 DBGD Cc1[nH]nc(C(F)(F)F)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1261830508 ZGXDLVFZBFSGCP-YFKPBYRVSA-N 319.243 -0.223 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)NC1CC1 1318622612 AMSNZGJBLLVVMO-UHFFFAOYSA-N 321.333 -0.110 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 1323927466 PCXKHLJSFUBLBO-UHFFFAOYSA-N 302.294 -0.237 50 20 DBGD CN1CCC(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1327651022 ZTIUDJVQJPYYHD-NSHDSACASA-N 317.411 -0.700 50 20 DBGD CC(=O)Nc1cccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1331691889 QTDNDMZMIZTUGG-GFCCVEGCSA-N 318.333 -0.387 50 20 DBGD O=C(NCCOC1CCC1)NNC(=O)C(=O)Nc1ccccn1 1332398590 YLAGHHBEIGDTDK-UHFFFAOYSA-N 321.337 -0.080 50 20 DBGD O=C(c1ccc(N2CCNC2=O)cc1)N1CC[C@H](B(O)O)C1 1335434953 ZQCCVHWZIAXNJH-NSHDSACASA-N 303.127 -0.095 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1C 1337973802 FWMKBSUPHOYGOT-UHFFFAOYSA-N 322.321 -0.784 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1ncn(C)n1 1338530366 AYKCBLPGLXTRJY-DTWKUNHWSA-N 314.346 -0.742 50 20 DBGD COC[C@@H]1COCCN1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1340266272 SGGXPUYCWSDSEP-MXWKQRLJSA-N 301.343 -0.501 50 20 DBGD COc1cc(NC(=O)C(=O)NNc2cccc(OC)n2)ncn1 1342592875 UPLXFOJBSGVRPN-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1nnn([C@H]2CCNC2)c1C(F)F 1576271794 IDLXHBDOCSNNHM-SFYZADRCSA-N 318.328 -0.293 50 20 DBGD COc1ccccc1[C@H](N)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1579301461 MEOZLNMQNNZTBM-SKDRFNHKSA-N 306.322 -0.879 50 20 DBGD C[S@](=O)C1(C(=O)NNC(=O)Cc2ccncc2)CCNCC1 1579355085 IXHKAKZUVBEHHH-QFIPXVFZSA-N 324.406 -0.728 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)c1cnsn1 1594783248 XHXLZGAYNLLMQM-UHFFFAOYSA-N 316.364 -0.103 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)Cn2ccc(C(=O)O)n2)cc1 1601091967 IXCSCDRCQHYHNE-UHFFFAOYSA-N 313.273 -0.086 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)c1cn(CC(=O)O)nn1 1605350974 JCSPQSVGKQJIIX-UHFFFAOYSA-N 303.278 -0.254 50 20 DBGD O=C(NNC(=O)C(=O)O)NC1CCN(C[C@@H]2CCCO2)CC1 1610699401 XSKDWGLBBPXBMR-JTQLQIEISA-N 314.342 -0.955 50 20 DBGD O=C(c1cccnn1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841351819 GHACNBKAZWQYNN-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 10213862 MHCRHYZYCZDMTD-VIFPVBQESA-N 313.335 -0.714 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)COc1ccccc1O 264603902 YFQSJDUOEVTQSP-UHFFFAOYSA-N 316.335 -0.647 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cn1 267524683 WJFHPACKIGWGHK-JTQLQIEISA-N 322.369 -0.237 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C)oc1C 272393944 DICXQXBJLXKJQF-UHFFFAOYSA-N 305.312 -0.438 50 20 DBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)CCOc2ccccc2)O1 279902212 WBRMSRHXVVVZNO-VXGBXAGGSA-N 321.333 -0.364 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(C2CC2)no1 281894716 IMSGWRPSFYCHCB-ZCFIWIBFSA-N 316.339 -0.749 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 283035412 YWUVDUCHCZMWOR-UHFFFAOYSA-N 322.325 -0.221 50 20 DBGD O=C(O)c1csc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)c1 291787626 AFVPRUKEFLUGGT-ZETCQYMHSA-N 320.348 -0.065 50 20 DBGD O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(B(O)O)c(F)c1 584930247 UTJZBJJSRMFBFT-KGLIPLIRSA-N 306.146 -0.138 50 20 DBGD O=C(NCCCO[C@H]1CCOC1)c1cc(B(O)O)ccc1F 584957905 JYQOCCIMDQKYHE-NSHDSACASA-N 311.118 -0.569 50 20 DBGD COC[C@@H](C)n1ccc(NC(=O)c2ccc(B(O)O)cc2)n1 584974539 PMAFPCKABGBGFS-SNVBAGLBSA-N 303.127 0.023 50 20 DBGD O=C(c1cccc(B(O)O)c1)N(CCCO)Cc1ccccn1 584983124 KUWNIASYSADPGU-UHFFFAOYSA-N 314.150 -0.214 50 20 DBGD Cn1ncc2c1CCCN(C(=O)c1ccc(B(O)O)c(F)c1)C2 585002438 VKZFAXHLONTFEM-UHFFFAOYSA-N 317.129 -0.172 50 20 DBGD O=C(NNC(=O)c1cccc(-n2cccn2)c1)C(=O)NC1CC1 735030767 JUCOFUDHBZARDI-UHFFFAOYSA-N 313.317 -0.088 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)CC(F)(F)F)C1 739033789 BXQLKIUZDZCZDJ-QMMMGPOBSA-N 312.292 -0.010 50 20 DBGD CC(C)CC(=O)NNC(=O)Nc1ncn(CC(=O)N(C)C)n1 756770072 JFNJAORONWYIGC-UHFFFAOYSA-N 311.346 -0.435 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)COc2ccccc2O)CC1 767431143 FEHVYSKOAOJWHK-UHFFFAOYSA-N 308.294 -0.881 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(OCC(N)=O)c(OC)c1 780710568 TYRQIOCUABILKW-UHFFFAOYSA-N 324.337 -0.135 50 20 DBGD COCCN1CN(C(=O)NNC(=O)Cc2cccnc2)CC1=O 801013366 SQNCADAEWBUCNQ-UHFFFAOYSA-N 321.337 -0.887 50 20 DBGD Cn1cc([N+](=O)[O-])c(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 802031296 DBHHXDVYHPHGPN-UHFFFAOYSA-N 305.254 -0.388 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1nc(C)cc(C)n1 816837482 WAICVYZKEPBPGP-SECBINFHSA-N 301.372 -0.136 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNC(=O)O)c1 823623451 QRUKCZAQTVENIR-UHFFFAOYSA-N 309.282 -0.541 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCNC(=O)[C@@H]1c1ccccc1 828322170 RHMJNDFZKMJSGQ-AWEZNQCLSA-N 318.377 -0.037 50 20 DBGD CC(=NNC(=O)CN1CCCC1=O)c1c(C)nc(O)nc1O 839403258 ACZDMQOJKZFKAE-UHFFFAOYSA-N 307.310 -0.341 50 20 DBGD CN(C)S(=O)(=O)NNC(=O)CCCNC(=O)C(C)(C)C 849313228 ZXXGGAUPMWJBBT-UHFFFAOYSA-N 308.404 -0.644 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)N=c1cc[nH]cc1)C(C)=O 854376867 BNFNKDNRBCVRCS-LLVKDONJSA-N 322.321 -0.185 50 20 DBGD Cn1nncc1NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 857273688 UPTZDLDAPOIHNM-MRVPVSSYSA-N 304.376 -0.778 50 20 DBGD C[C@]1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@@H]1Br 857733407 KJWSTTZFTMNNNX-WSOSLHDDSA-N 320.183 -0.311 50 20 DBGD CCOC(=O)C1(C(=O)NNC(=O)CS(C)(=O)=O)CCCC1 863466728 ANPYDLCGVNGFNM-UHFFFAOYSA-N 320.367 -0.698 50 20 DBGD CC1([C@@H]2CCCN(C(=O)c3cccc(B(O)O)c3)C2)OCCO1 863879216 OMOQIERSRHRPNS-CYBMUJFWSA-N 319.166 -0.018 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)CS(C)(=O)=O)c1 919682156 JXMWXZRSCJLPFL-UHFFFAOYSA-N 316.335 -0.491 50 20 DBGD C[C@]1(CCCC(=O)NNC(=O)c2ccncc2)NC(=O)NC1=O 1116635082 ZIORORVZUOUMHW-CQSZACIVSA-N 319.321 -0.389 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc2ncsc2c1 1116729927 QROBMXSMTHOZOR-UHFFFAOYSA-N 322.302 -0.445 50 20 DBGD Cn1nncc1NNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 1117762465 RBYZQJYRMKMMGE-UHFFFAOYSA-N 306.330 -0.221 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCCc2nc(C)ncc21 1252439358 XRRRSVVQPVWXDJ-JTQLQIEISA-N 307.310 -0.334 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)C2CCCC2)CCOCC1 1261232962 ZVFCRYFGPUWKPD-UHFFFAOYSA-N 318.395 -0.082 50 20 DBGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)C2CC2)ccc1Cl 1320234575 HWRGMPSXNUJCID-UHFFFAOYSA-N 324.724 -0.065 50 20 DBGD CC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 1322055523 VATBTXNMPIVRHA-MRVPVSSYSA-N 314.319 -0.322 50 20 DBGD C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1cnn(C)c1 1330236929 OPIHDRSPYCRYJC-JOYOIKCWSA-N 315.399 -0.138 50 20 DBGD COc1ccc(NC(=S)NNC(=O)C2(NC(N)=O)CC2)cn1 1332496425 DABZZFDEIJAXMO-UHFFFAOYSA-N 324.366 -0.391 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1590335972 GXMWYDPEKDMDMJ-POYBYMJQSA-N 305.298 -0.619 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1590767095 FVJRMJFZEZNVKI-UHFFFAOYSA-N 313.299 -0.799 50 20 DBGD O=C(NN=Cc1nc(-c2nn[nH]n2)cs1)C(=O)N1CCCC1 1593155035 VWZGAXHGQFQSQT-UHFFFAOYSA-N 320.338 -0.604 50 20 DBGD COc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)C(=O)O)CCO2 1599632105 UJFFLOGENIOBLH-VIFPVBQESA-N 309.278 -0.066 50 20 DBGD Cc1csc(NC(=O)C(=O)NNC(=O)CCO)c1C(=O)O 1600661832 OCGPEYXAWLNROH-UHFFFAOYSA-N 315.307 -0.777 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F 1610714705 ZKPMCLZRGAJDBU-UHFFFAOYSA-N 305.168 -0.726 50 20 DBGD Nc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1[N+](=O)[O-] 106451843 IUSHLEXAJFOTMX-UHFFFAOYSA-N 304.266 -0.096 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc2c(c1)OCCO2 107845955 UIDFOOQODPDSLW-RKDXNWHRSA-N 307.262 -0.116 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H](C)CN2CCN(C)CC2)n1 264373665 ROXUJXAXIIOSSW-NSHDSACASA-N 323.401 -0.253 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](O)c1cccnc1 270941562 COXIJMODIXXEHT-LLVKDONJSA-N 308.338 -0.433 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)C(=O)NCC1CC1 285366875 SXTXGCXTFXIYJM-UHFFFAOYSA-N 305.334 -0.089 50 20 DBGD O=C(NCCCN1CCCCC1=O)c1cccc(B(O)O)c1 584942024 PTYYWOVOQJIWQI-UHFFFAOYSA-N 304.155 -0.501 50 20 DBGD CC1(C)COCCN1CCNC(=O)c1cc(B(O)O)ccc1F 584943267 KIFJVCXFZSZHKJ-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2CCC[C@H](C1)C2O 584947871 DLBRYMYNSCNCFZ-BVUQATHDSA-N 307.130 -0.262 50 20 DBGD O=S(=O)(CCOCC(F)(F)F)N1CC[C@@H](B(O)O)C1 585058224 BUHHALOFKWFCSC-SSDOTTSWSA-N 305.083 -0.556 50 20 DBGD CCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 746164880 JPIWFKBLBRCUSS-NSHDSACASA-N 313.402 -0.473 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2cnc[nH]2)c2ccccc2c1=O 750862981 OPSQJUKFAAKCAA-UHFFFAOYSA-N 312.289 -0.269 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@H]1CCOC1 752253414 RVSLNKBPZOYGAR-CABZTGNLSA-N 307.306 -0.054 50 20 DBGD O=C(CO)NNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 753445495 KNNNYDKVVZEEAY-UHFFFAOYSA-N 322.317 -0.050 50 20 DBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)c2ccc[nH]2)n1 756771421 WVQIMAIBHRMUCT-UHFFFAOYSA-N 320.313 -0.839 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C(N)=O)nc1 759738048 LDUHRDQWNGIVBM-VIFPVBQESA-N 307.310 -0.146 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1nccs1 770621909 NOKCTYFHKOUOTC-UHFFFAOYSA-N 305.319 -0.271 50 20 DBGD Cc1cnn(-c2c(C(=O)NNC(=O)CN(C)C)c(C)nn2C)c1 779379253 GUDAVPZOEZSGID-UHFFFAOYSA-N 319.369 -0.455 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 798342561 JDRDIPYTKGWMFN-UHFFFAOYSA-N 319.314 -0.995 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCCS1(=O)=O 802030566 JDEOPCMMKXZEQU-JTQLQIEISA-N 312.351 -0.377 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNC(=O)c2ccccc2)C1=O 822593195 UNPNHWPMYMIMSE-JTQLQIEISA-N 304.306 -0.222 50 20 DBGD CCS(=O)(=O)C1CN(S(=O)(=O)CBr)C1 832361282 XBXHXLJJWNPZLE-UHFFFAOYSA-N 306.203 -0.213 50 20 DBGD CCCNC(=O)NNC(=O)CCN1C(=O)CCNC1=S 847393811 IDFKMXORPZIBCQ-UHFFFAOYSA-N 301.372 -0.776 50 20 DBGD CCOC(=O)c1cn(C)nc1NC(=O)NNC(=O)c1cn[nH]c1 860886233 GDLKPIQQWMQTEL-UHFFFAOYSA-N 321.297 -0.214 50 20 DBGD O=C(CCNC(=O)c1cccs1)NNC(=O)[C@H]1CCC(=O)N1 862448967 KBDPTTBINWMZPO-MRVPVSSYSA-N 324.362 -0.706 50 20 DBGD CC(C)Oc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccn1 862454888 CGGYYGSVXDNYQV-JTQLQIEISA-N 306.322 -0.092 50 20 DBGD CCO[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 863897939 DZCTUZRSWBFVSP-CYBMUJFWSA-N 320.349 -0.226 50 20 DBGD C#CCCCC(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 887150270 DOWUJIMRWYPWBU-UHFFFAOYSA-N 305.338 -0.668 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)N1CCCC[C@H]1C 1116187239 LJKCXKODVBAMCY-ZJUUUORDSA-N 300.359 -0.247 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2cnnn2C)c1 1118827705 QJAPRAIELCYAOL-UHFFFAOYSA-N 324.366 -0.211 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)NC1CCCCC1 1318768949 YRJNXAYMLHQOCB-UHFFFAOYSA-N 300.359 -0.198 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-n2ccnc2)nn1 1321001415 AEQGIAIJSUTSAG-UHFFFAOYSA-N 312.293 -0.611 50 20 DBGD CN(C)N(C(=O)[C@H]1CCCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1324127695 GGYOSSWSEQTKSJ-VHSXEESVSA-N 303.384 -0.853 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NNc2nc[nH]n2)CC1 1324276159 LVLNQEKLUHASDD-UHFFFAOYSA-N 302.360 -0.691 50 20 DBGD CNC(=O)C(C)(C)CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1326012716 HYWRVVNIFRDEHH-RKDXNWHRSA-N 300.359 -0.486 50 20 DBGD Cn1ncc2c1C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)CC2 1327009830 PNIPAIDFRHFCIV-SNVBAGLBSA-N 319.365 -0.705 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1330108781 RGYMGOCNJBALKH-SNVBAGLBSA-N 304.306 -0.914 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1335285191 MBWGCOWLBBCXGV-SNVBAGLBSA-N 320.305 -0.940 50 20 DBGD Cc1nn(C)c(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1[N+](=O)[O-] 1346070012 YANNNYZAOIXSKX-YUMQZZPRSA-N 311.298 -0.177 50 20 DBGD CNC(=O)NCCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591211560 SWUDOULDJHPISJ-UHFFFAOYSA-N 305.302 -0.976 50 20 DBGD CN(CC(=O)NNC(=O)C1CC1)[C@H](COC1CCC1)C(=O)O 1598396328 CAFKBCZLCFPHCF-LLVKDONJSA-N 313.354 -0.502 50 20 DBGD C#CCN(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1602717081 ZKWBTXSCACXVBV-UHFFFAOYSA-N 313.321 -0.807 50 20 DBGD NC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2 1804476856 ZPRHPDILLKWKAC-ODHVRURNSA-N 320.752 -0.173 50 20 DBGD CC[C@H](NC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847557894 DYBXRRMMBLLVPY-FIQHERPVSA-N 317.817 -0.214 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)Cn1ccc(=O)[nH]c1=O 15812576 DMVWOQKVVCPKNE-UHFFFAOYSA-N 302.290 -0.694 50 20 DBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@@H]1CCS(=O)(=O)C1 584926777 BGIKKPFBVPNUCH-GFCCVEGCSA-N 311.168 -0.984 50 20 DBGD C[S@](=O)C1(CNC(=O)c2cc(B(O)O)ccc2F)CCC1 584985337 KNMIZHTVUUYPQQ-NRFANRHFSA-N 313.159 -0.464 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 584986907 NXCQFAMWFWZILZ-XSYNQRDESA-N 305.114 -0.653 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNCc2ccc(B(O)O)cc2F)CC1 585048642 UWBBOZYVOVFITI-XYPYZODXSA-N 308.162 -0.113 50 20 DBGD CS(=O)(=O)CCCc1nc(-c2cccc(B(O)O)c2)no1 585054366 UBJKHOUZTLFKKM-UHFFFAOYSA-N 310.140 -0.606 50 20 DBGD O=C1C[C@@H](C(=O)N2CC[C@@H](B(O)O)C2)CN1CC(F)(F)F 585078375 YFSDBJLECNVBPX-HTQZYQBOSA-N 308.065 -0.528 50 20 DBGD COc1ccc(NCC(=O)NNC(=S)NCC(N)=O)cc1 727064323 BFKWUVQVHOQZRA-UHFFFAOYSA-N 311.367 -0.912 50 20 DBGD Cn1nnnc1SCCC(=O)NNC(=O)Cc1cccnc1 728849933 CDXABXOQASOOIA-UHFFFAOYSA-N 321.366 -0.523 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc2c(c1)OCCO2 739453086 CNEHXDKVEUFLAJ-BDAKNGLRSA-N 306.274 -0.061 50 20 DBGD C#CCSCCNC(=O)NNC(=O)[C@@H](C)OCCOC 748633262 RKNYLCCYKATQPK-SNVBAGLBSA-N 303.384 -0.265 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@]1(C)CCCO1 756078168 KTWMOZIXDRWLFV-GWCFXTLKSA-N 303.359 -0.063 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccsc1 764396728 BCRBDOBYLKDNJV-QMMMGPOBSA-N 315.351 -0.115 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccn(CCOC)n1 784312339 KQCXJZMHXIERRI-VIFPVBQESA-N 312.326 -0.368 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(C)nn(C)c2c1 812980669 VJJSDEPRPPYOQU-UHFFFAOYSA-N 319.321 -0.386 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)C(=O)NC1CC1)OC 813873616 MJYCTMAIZKNDSU-UHFFFAOYSA-N 300.359 -0.199 50 20 DBGD CCN(CCO)NC(=O)c1ccc(S(=O)(=O)NC)cc1 823838226 MXOYSIGUBJHSTP-UHFFFAOYSA-N 301.368 -0.446 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCS(=O)(=O)C1CC1 826974211 KBLVKSLTUOYJBU-PSASIEDQSA-N 319.383 -0.681 50 20 DBGD CCC[C@@H](C(=O)NNC(=O)c1ccc(C)o1)S(N)(=O)=O 829831188 JJHGXKFOHRDWFW-VIFPVBQESA-N 303.340 -0.194 50 20 DBGD CCCN1C[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC)CC1=O 840668475 SWYJKAHLFJNVLP-NXEZZACHSA-N 313.354 -0.266 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCN1C(=O)CCC1=O 843642688 GHAYSZRQURFEAM-VHSXEESVSA-N 311.338 -0.512 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CNc1ccccc1C(N)=O 843969945 ADPUTSSSFFEQFU-VHSXEESVSA-N 320.349 -0.230 50 20 DBGD COCCS(=O)(=O)NNC(=O)CCCNC(=O)C(C)(C)C 849312883 OWNHZBUWKNRZHK-UHFFFAOYSA-N 323.415 -0.474 50 20 DBGD O=S(=O)(CBr)N1CCN([C@@H]2CCNC2)CC1 850588018 RCOVCOXWFASPKM-SECBINFHSA-N 312.233 -0.352 50 20 DBGD CNC[C@H](C)NC(=O)NNC(=O)COc1ccc(C#N)cc1 851681304 NCQHZKQLAAXEFH-JTQLQIEISA-N 305.338 -0.125 50 20 DBGD CC(C)NC(=O)C(=O)NN=C1CS(=O)(=O)Cc2ccccc21 853283400 OKFAPMZUMFNWEN-UHFFFAOYSA-N 323.374 -0.040 50 20 DBGD O=C(Cc1ccc2c(c1)CCCO2)NNC(=O)[C@H]1CCC(=O)N1 862462278 WEBCSCSVNIFWHS-GFCCVEGCSA-N 317.345 -0.020 50 20 DBGD CC(C)(C(=O)NNC(=O)c1cn[nH]c1)n1cc([N+](=O)[O-])cn1 862471394 CHRUOAGEEBYOCR-UHFFFAOYSA-N 307.270 -0.289 50 20 DBGD COc1nc(N(C)C)sc1C=NNC(=O)[C@@H]1CCC(=O)N1 863144712 DQELURONRKAJDS-ZETCQYMHSA-N 311.367 -0.054 50 20 DBGD CC(=O)C[C@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 863877796 FUZOIFQASOEYGQ-NSHDSACASA-N 309.102 -0.674 50 20 DBGD C[C@@H](O)CN(CC(F)F)C(=O)c1cc(B(O)O)ccc1F 863885927 QTNAXBVZROBRQO-SSDOTTSWSA-N 305.061 -0.406 50 20 DBGD CCOC(=O)C(C)(C)ONC(=O)c1cc(B(O)O)ccc1F 863886700 KCGBEYTXJMXVBE-UHFFFAOYSA-N 313.090 -0.491 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc[n+]([O-])c2)C[C@@H](C)O1 912921387 OUBODUKLTMIGGK-TXEJJXNPSA-N 322.365 -0.420 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)c1c(C)nc2ccccn12 915916200 NUOJNZRWGRBWOO-UHFFFAOYSA-N 318.337 -0.277 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1cccc(F)c1 920299559 HGILLPIJKIVJDH-MRVPVSSYSA-N 317.342 -0.547 50 20 DBGD CC(=O)Nc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 1118885332 YIRGQMZBWCJSNF-GFCCVEGCSA-N 318.333 -0.007 50 20 DBGD Cc1ncc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1 1319857872 BAVKVNKPMNZJGV-SECBINFHSA-N 312.351 -0.711 50 20 DBGD CON(C)C(=O)c1ccc(NC(=O)NNC(=O)CCO)cc1 1320275370 LHDYVJHBSYCIDF-UHFFFAOYSA-N 310.310 -0.145 50 20 DBGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNc1ncccn1 1320387924 ZIYJNAMQNAXGJV-UHFFFAOYSA-N 318.293 -0.018 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 1325515110 FNQWOABSPSVCDJ-QMMMGPOBSA-N 308.338 -0.174 50 20 DBGD NC(=O)C1CCN(C(=O)NNC(=O)c2cccc(F)n2)CC1 1327561163 DGBSJUPGPUVXRJ-UHFFFAOYSA-N 309.301 -0.228 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nnn2C 1328225128 XTHMEQZDUMDNCC-UHFFFAOYSA-N 306.282 -0.316 50 20 DBGD CC[C@@H](NC(C)=O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1330574847 CWZCGJPVCHPXAD-WDEREUQCSA-N 305.400 -0.607 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccc(O)c(F)c1 1331736970 QYTKEPSCNNWULK-UHFFFAOYSA-N 304.299 -0.734 50 20 DBGD CCOC(CCNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OCC 1334907289 PJGHAVMMJHAVKO-SECBINFHSA-N 316.358 -0.615 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccn(CC(F)F)n1 1337967994 FSLQGRPLRLARFL-UHFFFAOYSA-N 303.269 -0.110 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1conc1C1CC1 1344501204 SVJVIEBCWODQIN-QMMMGPOBSA-N 313.335 -0.252 50 20 DBGD Cc1nccn1CCCNC(=O)NNC(=O)c1cnn(C)c1 1344638358 OFSYYTORYDEZRU-UHFFFAOYSA-N 305.342 -0.041 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 1345733788 UNBLUYRTZCKBJC-QXEWZRGKSA-N 310.354 -0.495 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1cc(O)cc(-c2nn[nH]n2)c1 1606851515 BLUUSUHOTDATDX-SNVBAGLBSA-N 318.293 -0.488 50 20 DBGD CC(C)(C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1609073691 IITQVKGPIFCORK-UHFFFAOYSA-N 314.327 -0.185 50 20 DBGD C[C@@H](C(=O)O)C(=O)OCC(=O)NNC(=O)c1cccs1 1609705815 HSKQAROMEOTGKG-LURJTMIESA-N 300.292 -0.227 50 20 DBGD CC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1800067761 PMZBNDUFUFXQFX-UTINFBMNSA-N 304.774 -0.047 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCCO2)C1=O 42968247 HJVBYHIQIRVKNK-XPTSAGLGSA-N 324.337 -0.967 50 20 DBGD CCS(=O)(=O)CC(=O)NNC(=O)Cc1ccccc1OC 65665409 XXGPRUSSFXHYHD-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD O=C(CN1CCC[C@@H](CN2CCOCC2)C1)NNC(=O)C1CC1 112982052 QKOGWCVTMVKLTH-ZDUSSCGKSA-N 324.425 -0.412 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(Cc2noc(C)n2)CC1 114465639 ONDNWFLRMXMRHO-JTQLQIEISA-N 324.385 -0.558 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccc(C)o2)CC1=O 267749585 BWEAMXMGQRUTEE-JTQLQIEISA-N 309.322 -0.156 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)ccc1O 273537333 WMHOPNREFQKNDN-ZCFIWIBFSA-N 319.314 -0.770 50 20 DBGD Cc1nnc2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cn12 287665819 BGKLTSPZBVYVFQ-UHFFFAOYSA-N 317.353 -0.360 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)CC2CC2)c(=O)c1 294113576 KAXMHRZLHVNJIX-OAHLLOKOSA-N 307.350 -0.145 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C/CN(C)CC(F)(F)F 493040947 VFSKCETZONNHPT-SNAWJCMRSA-N 324.303 -0.291 50 20 DBGD COCCN1CCC(NC(=O)c2cc(B(O)O)ccc2F)CC1 584935228 COUMSBFHANKRMH-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(NC[C@@H]1CCCCN1CCO)c1ccc(B(O)O)c(F)c1 584995988 UGEWQYICLYHDCO-LBPRGKRZSA-N 324.161 -0.918 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@]12CCNC2=O 584995989 UHYPLHZQYJHJEO-AWEZNQCLSA-N 306.102 -1.000 50 20 DBGD O=C(NC1CC1)C1(c2nc(-c3ccc(B(O)O)cc3)no2)CC1 585050534 BZGBPSOUOWYMGL-UHFFFAOYSA-N 313.122 -0.273 50 20 DBGD Cc1ccc([C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)o1 758049163 YOFJDFFZQQIMGO-DTWKUNHWSA-N 317.367 -0.223 50 20 DBGD Cn1cnc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 760171429 BKEILAXKDZKWMA-UHFFFAOYSA-N 302.294 -0.994 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1CC(F)(F)F 764421223 HPFUDGNDVCABCH-UHFFFAOYSA-N 319.239 -0.130 50 20 DBGD CNc1c(C(=O)NNC(=O)C(=O)NC(C)C)cccc1[N+](=O)[O-] 765362034 INBFMLDOVFKZFN-UHFFFAOYSA-N 323.309 -0.078 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](CO)c1cnn(C)c1 778136107 COOICELSZNROLT-PWSUYJOCSA-N 311.386 -0.375 50 20 DBGD CN1CCN(CC(=O)NNc2cnc3ccccc3n2)CC1=O 781025680 NUYFCUSKPTXHMG-UHFFFAOYSA-N 314.349 -0.153 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1csnc1C(=O)OC 782477736 VUEODXKLYAJWTM-UHFFFAOYSA-N 322.368 -0.216 50 20 DBGD COCCONC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 789336668 NSYYIIVNZPTFIT-UHFFFAOYSA-N 314.254 -0.178 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cc2nc3ncccn3n2)n1 794077767 ZMZNGUISDXWYDF-UHFFFAOYSA-N 311.305 -0.169 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN[C@H]2C(=O)NCC[C@@H]2C)c1 799345961 CGSNTVVYGJULCC-SMDDNHRTSA-N 318.377 -0.130 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cn(C)c(C)n1 800812580 IGUMFQQVKMLUFA-QMMMGPOBSA-N 301.372 -0.494 50 20 DBGD Cn1nncc1CNC(=O)NNC(=O)COc1ccc(F)cc1 807612298 CPBGNBYSDHZAGT-UHFFFAOYSA-N 322.300 -0.136 50 20 DBGD O=C(CN1CC[C@@H](CO)[C@H](O)C1)NNC(=O)c1cccs1 808751870 NPKVYFOCTJXWOM-VHSXEESVSA-N 313.379 -0.816 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCCN(C)C2=O)CC1 822764842 PMSASCOGMKTQRG-NSHDSACASA-N 311.386 -0.767 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 841375480 GQCGQSLSQRVRKT-PRHODGIISA-N 323.305 -0.282 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843658455 KXIBFYHWSRTYJX-DLOVCJGASA-N 309.366 -0.040 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 843980789 WPCJZXASFABZRN-STQMWFEESA-N 312.414 -0.414 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 847290224 WDWWNHIOVFXFBT-MNOVXSKESA-N 309.297 -0.137 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccnc1C(=O)O 850785915 CJBSLCSMEYQNPB-SSDOTTSWSA-N 308.294 -0.088 50 20 DBGD COc1cncc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c1 853303843 RMTPQOGYUGAKEO-QMMMGPOBSA-N 300.340 -0.522 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H](c2cncn2C)N(C)C)CC1 854379057 MVFULBKVFLBHRB-LBPRGKRZSA-N 323.401 -0.989 50 20 DBGD CC(C)O[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858702933 QIMPXSVUTHLRSN-MNOVXSKESA-N 312.370 -0.105 50 20 DBGD COc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862449794 TWSVYCMKKVYBAR-LBPRGKRZSA-N 321.333 -0.110 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 863865195 MSVHLYNNYHKQJV-CYBMUJFWSA-N 318.377 -0.142 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2ccnn2C)C1 933537258 OSZPVYGLHNPZGV-JQWIXIFHSA-N 309.370 -0.261 50 20 DBGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccnn1C 1254897025 MGXDYQCHHSKNET-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(OC)c(F)c1 1318940724 BFWLHUPAYLBQPL-UHFFFAOYSA-N 313.285 -0.120 50 20 DBGD Cc1nscc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320805630 DJWNLITVZYNIPJ-SSDOTTSWSA-N 318.380 -0.417 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cn(C)c(=O)cc1C 1321154602 ZSGLLKNTQKLOGB-QMMMGPOBSA-N 308.338 -0.174 50 20 DBGD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NNc1nncc(N)c1Cl 1321208652 ANEGEICCZLPEDX-SVGQVSJJSA-N 313.749 -0.137 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCc2nncn2C1 1326275225 SIHBARZJRZTUAV-NSHDSACASA-N 300.322 -0.374 50 20 DBGD CCn1ccc(NC(=O)C(=O)NNc2nccc(OC)n2)n1 1327265882 ZSRNQQJANWNSIJ-UHFFFAOYSA-N 305.298 -0.217 50 20 DBGD Cc1nc(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)n[nH]1 1327769958 JBZZPDHXFDKFST-UHFFFAOYSA-N 303.326 -0.281 50 20 DBGD O=C(NNC(=O)[C@@H]1[C@H]2CCC[C@H]21)N[C@H]1CCS(=O)(=O)C1 1330998726 SPPIKJWTRIDOHG-AXTSPUMRSA-N 301.368 -0.450 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(O)nc(C3CC3)n2)N1 1331689367 ARPAMZMKBYMIFF-ZETCQYMHSA-N 305.294 -0.901 50 20 DBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NN(C)[C@@H](C)CO)c2C1 1332471328 VPNSDQROTWCBNQ-CMPLNLGQSA-N 323.397 -0.461 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCc2cn3ccccc3n2)N1 1352272832 CMXJRSVYZZGTGZ-JTQLQIEISA-N 316.321 -0.557 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H]2CCNC3(CCC3)C2)N1 1580843631 KXGCEHXJJAWVFC-UWVGGRQHSA-N 309.370 -0.730 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1591273254 XUZCOVZTDWUSCT-UHFFFAOYSA-N 313.299 -0.847 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=S)NCCCC(=O)O)n1 1600178860 NAFXIBLZIIMFQG-UHFFFAOYSA-N 313.383 -0.140 50 20 DBGD O=C(/C=C\c1cc(C(=O)O)co1)NNC(=O)[C@@H]1CCC(=O)N1 1601234283 UEMHQQQSUPRYSA-MBMUTDPPSA-N 307.262 -0.583 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)cn1 1605491164 NXWDVZKWBPJLOC-DOLDWENKSA-N 316.317 -0.113 50 20 DBGD O=C(NCc1ccccc1C(=O)O)NNC(=O)[C@H]1COCCO1 1605808720 YIDPSKVYWSXDAU-LLVKDONJSA-N 323.305 -0.369 50 20 DBGD O=C1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)N1 1607039268 KFGYUXHCFZVIBN-MRVPVSSYSA-N 307.701 -0.148 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1607041623 HDELFEBWVPJEQB-JTQLQIEISA-N 314.305 -0.003 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 43140358 XURIEAOWAJAPKJ-UHFFFAOYSA-N 322.321 -0.462 50 20 DBGD O=C1CSC(=O)N1CCNS(=O)(=O)CBr 127062620 XCRMFSMEYJUODU-UHFFFAOYSA-N 317.186 -0.046 50 20 DBGD CN1CCO[C@H](C(=O)NNc2cccc(S(C)(=O)=O)c2)C1 272020630 MPWPQORUBKJGTM-LBPRGKRZSA-N 313.379 -0.136 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 277110094 MZFRRPOEALVQQT-HNNXBMFYSA-N 320.349 -0.304 50 20 DBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 286602132 WPNOOGNRJWMEKM-UHFFFAOYSA-N 323.309 -0.837 50 20 DBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)c1ccc(C#N)cc1 290658209 GZIPLYDUKUCRQC-RYUDHWBXSA-N 304.306 -0.084 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1csnn1 494454386 PBQLQDBVQFIXLV-UHFFFAOYSA-N 301.328 -0.176 50 20 DBGD CC(C)(C)OC(=O)N(CCC(=O)NNC(=O)CO)C1CC1 497278205 LCERSDFIUILYBS-UHFFFAOYSA-N 301.343 -0.084 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC(n2cncn2)CC1 584938275 XZWTUOSAAHXHKJ-UHFFFAOYSA-N 300.127 -0.565 50 20 DBGD CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(B(O)O)cc1 584946384 RXWCOEYVQCJSGA-JTQLQIEISA-N 313.184 -0.738 50 20 DBGD Cc1nnc2n1C[C@@H](CNC(=O)c1cccc(B(O)O)c1)CC2 584950488 KDQKYVUGCFQPQD-LLVKDONJSA-N 314.154 -0.741 50 20 DBGD CCS[C@@H]1CC[C@]1(O)CNC(=O)c1cccc(B(O)O)c1 584956702 GNUFNQTYYTVFIR-OCCSQVGLSA-N 309.196 -0.257 50 20 DBGD COC1CCN(CCNC(=O)c2cc(B(O)O)ccc2F)CC1 584959487 BCNGAHRGSVGUQR-UHFFFAOYSA-N 324.161 -0.654 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 584986423 ZCHZKTXZVJJCCJ-ZNMIVQPWSA-N 319.166 -0.632 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N(CC1CC(O)C1)C1CC1 584998015 NTPKZPLNBDGUSH-UHFFFAOYSA-N 307.130 -0.119 50 20 DBGD O=C(COc1ccccc1)NCC(=O)N1CC[C@H](B(O)O)C1 585071195 OGYKEIAUOAUVGV-NSHDSACASA-N 306.127 -0.743 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)Cc1cn2ccccc2n1 746636781 GFTBQNTVJKKYNO-UHFFFAOYSA-N 317.349 -0.060 50 20 DBGD CCNC(=O)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 749924895 XFDUEYJRDLIDRM-VIFPVBQESA-N 313.339 -0.933 50 20 DBGD C[C@H]1CN(C2CC2)CC1=NNC(=O)N[C@H]1CCS(=O)(=O)C1 755890145 JCYBQHCWYIISRI-UWVGGRQHSA-N 314.411 -0.057 50 20 DBGD CN(C)C(=O)COc1cccc(NC(=O)NNC(=O)CO)c1 755960820 TUJGKMQKGUPRBC-UHFFFAOYSA-N 310.310 -0.701 50 20 DBGD CCn1ncc2ccc(NC(=O)C(=O)NNC(=O)COC)cc21 764303881 QQSRTTQVWABVET-UHFFFAOYSA-N 319.321 -0.212 50 20 DBGD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)NNC(=O)CO 764430018 QIINGEUKWSKJSP-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD C#C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCCO1 776225051 OSQATIKJXVDDMS-WDEREUQCSA-N 308.338 -0.880 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H](CO)OC[C@H]2C)c1 777599463 KJGQKNJCVQGROE-TZMCWYRMSA-N 321.377 -0.162 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cccc(CC(=O)OC)n1 792412092 STEBDVWINURKDC-UHFFFAOYSA-N 310.310 -0.014 50 20 DBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@@H](C)[S@@]1=O 796374293 BBEOGGMHGFZSTD-MTTWPYTGSA-N 301.412 -0.225 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 804952161 GJKONWYMWQIIPF-VIFPVBQESA-N 301.310 -0.274 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)c2ncn(C)n2)c1 810007410 YOIKYJLGQBTPPD-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD C[C@@](O)(Cn1ccccc1=O)C(=O)NNc1ncncc1F 817082924 QKZKXGMPOBWNQA-CYBMUJFWSA-N 307.285 -0.328 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)Cc1cc[nH]n1)C(C)=O 826668535 ZBGBKJFVFJITOQ-SNVBAGLBSA-N 310.310 -0.742 50 20 DBGD CCS(=O)(=O)CCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 826974408 NCHHEQPPEFUTPW-NXEZZACHSA-N 321.399 -0.433 50 20 DBGD COc1nccc(C=NNC(=O)[C@H](C)CN2CCOCC2)n1 834935137 ZIMJGISELDJUGQ-LLVKDONJSA-N 307.354 -0.096 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NN=C1CCN(S(C)(=O)=O)CC1 842551892 GDOLLXUQFYQXRI-ONGXEEELSA-N 303.384 -0.061 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2nc(Cl)ccc2F)N1 862457075 AGHBFQXUFGJIHE-LURJTMIESA-N 300.677 -0.086 50 20 DBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462343 WDBKUFKYVIXAQF-BDAKNGLRSA-N 312.370 -0.647 50 20 DBGD NC(=O)c1nccnc1C(=O)NNC(=O)c1ccc(Cl)nc1 1116181209 KWDJOHLKHIENPK-UHFFFAOYSA-N 320.696 -0.301 50 20 DBGD COCCNC(=O)c1cccc(NC(=O)NNC(=O)CCO)c1 1117348302 DVZDBLZNKWRCSD-UHFFFAOYSA-N 324.337 -0.402 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1120717447 SDQNMXUQEILIIJ-RNKPRXRFSA-N 316.335 -0.771 50 20 DBGD CN1CCNC[C@H]1C(=O)NNc1ccccc1S(C)(=O)=O 1121953772 IXWAGARTZRQYES-NSHDSACASA-N 312.395 -0.563 50 20 DBGD Cn1cccc1C(=O)NNC(=S)NCCS(C)(=O)=O 1318332631 XWJYPLKPGNRVCE-UHFFFAOYSA-N 304.397 -0.821 50 20 DBGD O=C(CCCn1ccccc1=O)NNC(=O)Cc1cc[nH]n1 1320106383 IBQIWJIQQRMVBJ-UHFFFAOYSA-N 303.322 -0.258 50 20 DBGD C[C@@H]1CCCN(C(=O)C(=O)NNc2ccc(C(N)=O)nn2)C1 1322757233 PUUZXHYXNJXSDU-MRVPVSSYSA-N 306.326 -0.723 50 20 DBGD Cc1ncccc1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323462248 IKVDRRSROWBQDP-LLVKDONJSA-N 311.363 -0.485 50 20 DBGD CNS(=O)(=O)N1CCC(C(=O)NN=c2cc[nH]cc2)CC1 1329139142 ZDYNFVDYQTZMQF-UHFFFAOYSA-N 313.383 -0.877 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCCN2CCC[C@@H]2C1 1329323906 UTAFYGOEWZPFFG-GFCCVEGCSA-N 306.146 -0.184 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCn2cncc2C1 1339722287 LHTSOVSKGGAVMG-JTQLQIEISA-N 305.338 -0.785 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@]1(F)CCOC1 1346425224 SBZVYHZFUOBJDK-LBPRGKRZSA-N 315.326 -0.246 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cccn2c(O)nnc12 1349468399 CAUYMASZMKNGMO-HTQZYQBOSA-N 305.294 -0.379 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)C1(C(=O)O)CCOCC1 1594711494 XGRZCVYFOGGRHO-UHFFFAOYSA-N 307.306 -0.347 50 20 DBGD COCCOCC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 1605110281 WVRRIRXZEHSHHA-UHFFFAOYSA-N 304.310 -0.020 50 20 DBGD COc1ccnc(NNC(=O)c2cc(-c3nn[nH]n3)ccn2)n1 1605338558 YEBVEZMDWIHPOI-UHFFFAOYSA-N 313.281 -0.183 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1 1610140546 BAIOBNLOUSKTCO-UHFFFAOYSA-N 313.335 -0.075 50 20 DBGD C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1791051601 XBVCXBSODCLBMY-NMUGVGKYSA-N 322.764 -0.119 50 20 DBGD NC(=O)[C@H](NNC(=O)CNC(=O)c1ccco1)c1ccccc1 101583377 YMAHQVYCDUWENG-CYBMUJFWSA-N 316.317 -0.143 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCCN2C(=O)CNC2=O)n1 265024047 FICINZXUZKVLRU-UHFFFAOYSA-N 307.314 -0.729 50 20 DBGD CNC(=O)NNS(=O)(=O)c1sc(C(=O)OC)cc1OC 267304780 KTWMNDJDDRHAQB-UHFFFAOYSA-N 323.352 -0.334 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CCCC(=O)N1 270393874 CSUDUWVYWJJQKP-SECBINFHSA-N 307.306 -0.413 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNC(=O)OC(C)(C)C 496875385 NHTFJNFZVGGCEC-UHFFFAOYSA-N 310.376 -0.720 50 20 DBGD CCC(=O)N[C@H](CCSC)C(=O)Nc1cccc(B(O)O)c1 584911750 XYXQTBZENKGXKC-GFCCVEGCSA-N 324.211 -0.047 50 20 DBGD CN1CCC(CN(C)C(=O)c2cc(B(O)O)ccc2F)CC1 584941691 FDPFSCYGQLFETO-UHFFFAOYSA-N 308.162 -0.081 50 20 DBGD CN1CCC(CCO)(NC(=O)c2cc(B(O)O)ccc2F)CC1 584970445 CKAVMIKHLBYIGA-UHFFFAOYSA-N 324.161 -0.918 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)NCC2CC2)o1 730766555 RZPQCKFZKXRHJM-UHFFFAOYSA-N 317.323 -0.031 50 20 DBGD O=C(CO)NNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 755443478 HEHAZWQNGALAPB-UHFFFAOYSA-N 323.277 -0.172 50 20 DBGD CC[C@@H]1CC[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)O1 756923450 ZZPVFKDNNXRCPP-IVZWLZJFSA-N 319.383 -0.539 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)OC 763442332 UMWWKTUWOYBSAB-UHFFFAOYSA-N 323.305 -0.022 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)OC 764300007 KQHIVZSCLKLWQF-UHFFFAOYSA-N 309.278 -0.795 50 20 DBGD C[C@H](O)C[C@@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 767028898 HQYNGMNFHFDXHD-WDEREUQCSA-N 301.387 -0.348 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)c1ccncc1 778278779 QPRGOLQFVXFGEG-UHFFFAOYSA-N 314.301 -0.022 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N2CC[C@H](CC(N)=O)C2)n1 808299309 JUVUGJZOMRAZKC-SNVBAGLBSA-N 305.338 -0.058 50 20 DBGD O=C1CC(C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)C1 818027461 RSOSCGCVQAAQSV-LLVKDONJSA-N 315.285 -0.436 50 20 DBGD CC(C)CN1CCN(CC(=O)NNC(=O)C(C)C)[C@H](C)C1=O 828988198 RXVWURMUWPEGSU-GFCCVEGCSA-N 312.414 -0.022 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)CCOCC1CC1 842590938 TXVITWVYFFCSBA-MWLCHTKSSA-N 306.384 -0.211 50 20 DBGD O=C(NNC(=O)c1cnc2n1CCCCC2)C(=O)N1CCCC1 857094414 WUUADLXAFJGSDZ-UHFFFAOYSA-N 319.365 -0.007 50 20 DBGD CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)c1cc[nH]n1 857306616 ZVNYYHSMFJZGGN-LBPRGKRZSA-N 309.370 -0.036 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H](CO)C2CCCCC2)N1 858697024 PLBMHWLLECFGAE-WDEREUQCSA-N 312.370 -0.463 50 20 DBGD C#CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862456416 PHBQTIUWMJKMDC-LBPRGKRZSA-N 301.302 -0.262 50 20 DBGD COc1cccc([C@H](O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862458114 XORROXUGZLXGHK-JQWIXIFHSA-N 307.306 -0.845 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1cc2c(cc1O)OCO2 863188455 VQUJSIZQPXYPLN-UHFFFAOYSA-N 300.292 -0.384 50 20 DBGD CC(C)N1CCC(C(=O)NNC(=O)CN2CCCC2=O)CC1 913731240 AAVVOAPPRRLHIR-UHFFFAOYSA-N 310.398 -0.123 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CN1 915684836 GYBKQOGFMNVLKJ-JOYOIKCWSA-N 319.317 -0.500 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=S)NCCCN(C)C)n1 916547202 HQHVBAKSMVJXNV-UHFFFAOYSA-N 312.443 -0.053 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCC(=O)NC1 920425295 XRJJWNZWIQBOAL-JTQLQIEISA-N 321.333 -0.252 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCN(C(N)=O)C1 1318089896 KEGIGJIOSIMBAF-SECBINFHSA-N 301.347 -0.856 50 20 DBGD CNC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 1318640149 AIBPKUAISMKPQR-UHFFFAOYSA-N 305.269 -0.055 50 20 DBGD CN(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(N)=O 1320843660 UVMQOMMKBIBUBT-SNVBAGLBSA-N 301.306 -0.047 50 20 DBGD C[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1ccco1 1327607285 JZORURSFTMRESR-VIFPVBQESA-N 319.321 -0.241 50 20 DBGD CCc1noc(C)c1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1334938233 VKEWFYDNXLMLMZ-SNVBAGLBSA-N 309.326 -0.346 50 20 DBGD COCC[C@H](N)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1578998031 PRAUXISDUBZBKC-JTQLQIEISA-N 316.402 -0.560 50 20 DBGD O=C(CC1(N2CCOCC2)CCCC1)NNC(=O)[C@H]1CCN1 1580498355 YOHFNRFCBSWGEL-GFCCVEGCSA-N 310.398 -0.469 50 20 DBGD C[C@H](C(=O)NN[C@H](C)C(F)(F)F)n1cnc(-c2nn[nH]n2)n1 1603019343 DKYMBNAWJVRFAR-RFZPGFLSSA-N 319.251 -0.409 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(C)c(-c2nn[nH]n2)cn1 1604353377 DHZILJGDTHTXCO-UHFFFAOYSA-N 304.314 -0.124 50 20 DBGD N#Cc1ccc(NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)nc1 1605612425 LSLRGBYAIIBHKI-JTQLQIEISA-N 317.305 -0.280 50 20 DBGD CCC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234385 WQSRQJSXBHONES-SECBINFHSA-N 304.774 -0.092 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CN(C)C)N1C[C@@H](C)O[C@H](C)C1 113427564 JRLPVCDDPFJJPO-BZPMIXESSA-N 314.430 -0.171 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 126485608 IXBQFGKGCMQBQM-UHFFFAOYSA-N 303.322 -0.185 50 20 DBGD COCCCN(C)C(=O)NNC(=O)CNC(=O)c1ccco1 264158249 RZNQYTILNIBQSD-UHFFFAOYSA-N 312.326 -0.282 50 20 DBGD COc1ccnc(NNC(=O)NCCN2CCCOCC2)n1 297499539 VBSOCZGOQHNPQU-UHFFFAOYSA-N 310.358 -0.166 50 20 DBGD Cn1c(O)nc(=O)c2cc(C(=O)NNC(=O)C(C)(C)C)cnc21 298938932 BQXZZCACZADYRR-UHFFFAOYSA-N 319.321 -0.159 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1COCCO1 299611777 DWDSTMMSPWMTCC-QMMMGPOBSA-N 313.335 -0.959 50 20 DBGD Cc1nccn1C[C@@H](C)CNC(=O)c1ccc(B(O)O)cc1 584932667 PSWURBRHWFRMBK-NSHDSACASA-N 301.155 -0.063 50 20 DBGD CC[C@@H](NC(=O)c1cccc(B(O)O)c1)[C@@H](O)C(F)(F)F 584968305 KCFQNSPTUFKZFQ-NXEZZACHSA-N 305.061 -0.202 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@H](n2cncn2)C1 584973131 APPNCJVDSDWSRH-SNVBAGLBSA-N 304.090 -0.816 50 20 DBGD O=C(Cn1nc(-c2ccccc2)oc1=O)N1CC[C@H](B(O)O)C1 585068555 DKXMOHYRVDDZLK-NSHDSACASA-N 317.110 -0.421 50 20 DBGD O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)c1cnn[nH]1 729457773 PRXLIIOPPXDOGH-UHFFFAOYSA-N 306.238 -0.447 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)O)C[C@@H](C)O1 736808890 KGSBPGFCOULVRC-YTWAJWBKSA-N 313.354 -0.646 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1ccccn1 738135797 BVCWEISLRUIWJA-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 762937301 IMACQZUQFSBDHM-UHFFFAOYSA-N 316.321 -0.233 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCS(=O)(=O)C1 763899261 QGCQDQJYLKRYLA-SNVBAGLBSA-N 319.427 -0.454 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1ccn2C 764203099 GJCACYAXFMCCNJ-UHFFFAOYSA-N 317.349 -0.174 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cccc(-c2nccs2)c1 764422581 XPMXOUWVDYGRLX-UHFFFAOYSA-N 320.330 -0.112 50 20 DBGD CNc1c(C(=O)NNC(=O)C(=O)NC2CC2)cccc1[N+](=O)[O-] 765362516 LPVBKILHRYCANE-UHFFFAOYSA-N 321.293 -0.324 50 20 DBGD CS(=O)(=O)CC[C@H](C(=O)NNC(=O)CO)c1ccccc1 790919575 RASDMLPBBRKSCL-NSHDSACASA-N 314.363 -0.655 50 20 DBGD O=C(CN1CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 822997896 XDDZQISYDGBVHC-UHFFFAOYSA-N 315.337 -0.277 50 20 DBGD COCCOCC(=O)NNC(=O)c1cn(CC(F)F)nc1C 827870294 YLQPSNZVPDPUET-UHFFFAOYSA-N 320.296 -0.119 50 20 DBGD CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)CCl)CC1 831791607 ICDHBCVPAFWEAN-UHFFFAOYSA-N 319.836 -0.627 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 843754867 SQIIXSZDFPLBMZ-SNVBAGLBSA-N 314.305 -0.208 50 20 DBGD Cn1cc(S(=O)(=O)NCC(=O)NCCCSC#N)cn1 854363139 NDKKLYBFRAFAKV-UHFFFAOYSA-N 317.396 -0.581 50 20 DBGD CNc1nnc(CC(=O)NNC(=O)N2CCN(C)CC2)s1 854378985 KKOLZISORZCWPY-UHFFFAOYSA-N 313.387 -0.890 50 20 DBGD C[C@@H](NNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(F)(F)F 862307587 YPFMEYYHGMNABJ-RNFRBKRXSA-N 303.306 -0.018 50 20 DBGD Cc1cccc(NC(=S)NNC(=O)CN2CCNC(=O)C2)c1 899940446 NOOXGHMQMYNZMW-UHFFFAOYSA-N 321.406 -0.256 50 20 DBGD O=C(NNS(=O)(=O)c1cn[nH]c1)[C@H]1COc2ccccc2O1 919954440 LSWRJIOHWPGKRM-LLVKDONJSA-N 324.318 -0.441 50 20 DBGD CN1CC[C@@H]1CNC(=O)NNC(=O)Cc1cn2ccccc2n1 925410605 JLQMUEIVHQMLFP-GFCCVEGCSA-N 316.365 -0.089 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(N(C)C(C)=O)cc1 1116604702 WYNRMWZEEICWHF-UHFFFAOYSA-N 308.294 -0.005 50 20 DBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)C2CCC2)CC1 1322711927 CTJLGJOWWMXOPR-UHFFFAOYSA-N 311.386 -0.673 50 20 DBGD NCc1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)c(F)c1 1326801423 WQQWNYKWDCPSGR-UHFFFAOYSA-N 323.328 -0.607 50 20 DBGD CN1CCN(C(=O)NNC(=O)C2(O)Cc3ccccc3C2)CC1 1330817153 LFSICCUISSOFCR-UHFFFAOYSA-N 318.377 -0.496 50 20 DBGD CC(C)[C@H](N)C(=O)NCC(=O)NNC(=S)N[C@@H](C)C1CC1 1576233689 KBSYTTZKPLGUFE-KWQFWETISA-N 315.443 -0.620 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H](CN)C2CCCC2)ccc1=O 1579953226 ORAFRFGWWFZJHT-LBPRGKRZSA-N 321.381 -0.153 50 20 DBGD OB(O)[C@H]1CCN(c2cc(-c3nn[nH]n3)nc(C3CC3)n2)C1 1593498544 PYSYMDDTSITNOD-QMMMGPOBSA-N 301.119 -0.413 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)CC1 1598606393 CJYWSKZJXZCILP-WDEREUQCSA-N 312.370 -0.134 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCCS1(=O)=O 1606857865 GHYBYROCWCVVFZ-QMMMGPOBSA-N 323.338 -0.718 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](C(=O)O)O1 1607475201 CSRDUYBTWPKDLL-JQWIXIFHSA-N 321.333 -0.379 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(C(=O)O)co2)ccc1=O 1608098509 KGTJACJKHVKTBE-UHFFFAOYSA-N 305.246 -0.249 50 20 DBGD O=C(c1nc[nH]n1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350615 NMKBOVUYHOIUAN-MRVPVSSYSA-N 313.745 -0.779 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cccnc1N1CCOCC1 32260229 WMYCZRIMSHVIBC-LBPRGKRZSA-N 320.349 -0.142 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc2c1=O 44566372 YZYUEUSFYUMTCI-NSHDSACASA-N 316.317 -0.127 50 20 DBGD COCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 58131455 RWWLNOGLDVDHKH-UHFFFAOYSA-N 320.393 -0.008 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1=O 119499045 JILAEVFPQWARJO-UHFFFAOYSA-N 324.768 -0.125 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)NCc1ccco1 138998021 TUFGJKXABMTTQP-UHFFFAOYSA-N 324.337 -0.251 50 20 DBGD CCCc1nnc(S)n1CC(=O)NNC(=O)CN(C)C 263909991 KKWRXFYFQGUUHP-UHFFFAOYSA-N 300.388 -0.772 50 20 DBGD COc1cc(F)cc(NNC(=O)CNC(=O)CNC(C)=O)c1 268306551 OHCPJKAIQDKAPH-UHFFFAOYSA-N 312.301 -0.470 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccccc2F)O1 268490074 VAKWSYDJGSHJSO-KCJUWKMLSA-N 324.312 -0.197 50 20 DBGD COCCN1CCN(C(=O)NNC(=O)c2ccccc2)CC1=O 271066934 GDIPFOPDWCUWDR-UHFFFAOYSA-N 320.349 -0.168 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NNc1cc(Cl)nc(N)n1 363867978 QVZOZAHILHGJIU-SSDOTTSWSA-N 300.750 -0.124 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1COCCN1C1CCCC1 368443029 RVEZIHWCDQKAOY-CYBMUJFWSA-N 321.381 -0.257 50 20 DBGD COc1ncc(/C=C/C(=O)NNC(=O)c2cnn(C)c2)cn1 492700074 BSUDZKIESHTJDO-ONEGZZNKSA-N 302.294 -0.307 50 20 DBGD CC(C)(C)n1ncnc1CNC(=O)c1ccc(B(O)O)cc1 584986687 KSFMDWSWIJMGHH-UHFFFAOYSA-N 302.143 -0.357 50 20 DBGD C[C@H]1CN(C(C)(C)CNCc2ccc(B(O)O)o2)C[C@H](C)O1 585015466 ZLNIPLCDVUWSLE-RYUDHWBXSA-N 310.203 -0.063 50 20 DBGD NC(=O)[C@@H]1CCCN(CCCNCc2ccccc2B(O)O)C1 585022135 JLDANGUBDZPLGW-CQSZACIVSA-N 319.214 -0.957 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNCc2ccccc2B(O)O)O1 585035750 XPWSNVPRSCYCGL-OCCSQVGLSA-N 306.171 -0.908 50 20 DBGD O=C(N[C@H](Cc1ccccc1)C(=O)NCB(O)O)c1ccco1 585055088 XRTYZTNVSYVFOA-GFCCVEGCSA-N 316.122 -0.251 50 20 DBGD Cc1ncsc1CCS(=O)(=O)N1CC[C@H](B(O)O)C1 585056318 MVRSLHUJFFGAAO-VIFPVBQESA-N 304.202 -0.127 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])s1 726615105 XZKLYKFPCXLNBV-UHFFFAOYSA-N 300.296 -0.058 50 20 DBGD Cc1ccnc(NC(=O)CN(C)CC(=O)NNC(=O)C2CC2)c1 733194669 GUOOSHXTAALBIW-UHFFFAOYSA-N 319.365 -0.182 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1c(C)nc2ccccn12 737755555 CLXXIEJTYVYDCU-UHFFFAOYSA-N 312.351 -0.147 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCS(=O)CC2)c1 744398881 SHFMRDMOPSFADE-UHFFFAOYSA-N 320.374 -0.616 50 20 DBGD Cc1ncccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758024439 FUJMBRTZBPFVHN-QMMMGPOBSA-N 300.340 -0.911 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763823230 CMJOWRRZFWPCBR-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD CC[C@@H](CO)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 779726232 ZDGCLVDGYWVUNU-VIFPVBQESA-N 318.333 -0.287 50 20 DBGD CC(C)(C(=O)NNC(=O)N=c1cc[nH]cc1)S(C)(=O)=O 802029647 PCNAMZSRXZEZOP-UHFFFAOYSA-N 300.340 -0.521 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCc3nnn(C)c3C2)n[nH]1 810583813 FKFWKPTWWXMYHY-QMMMGPOBSA-N 303.326 -0.587 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825770892 RRHFXHFUOJLQJC-UWVGGRQHSA-N 300.359 -0.390 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccnc(OCCO)c2)nn1 825874849 RUPDKJNXISQEMS-UHFFFAOYSA-N 321.297 -0.952 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC[C@@H](n2cncn2)C1 827284068 UCNUDOSJPDAPFS-AXFHLTTASA-N 308.342 -0.309 50 20 DBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCCO1 833779675 WSNWZPYWKXORRX-NXEZZACHSA-N 321.399 -0.723 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccncc1 843972599 VEAXSIRTSSQSOL-KOLCDFICSA-N 306.322 -0.616 50 20 DBGD NC(=O)c1ncn(CC(=O)NNC(=O)NC2CCCCC2)n1 845080475 XNXJLFZZFLNWLW-UHFFFAOYSA-N 309.330 -0.960 50 20 DBGD Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 858209898 CBENAYCGVJYVFV-NSHDSACASA-N 305.338 -0.458 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc3c(nc2O)CCCC3)N1 862453901 APYGTCSVRUUSNZ-LLVKDONJSA-N 318.333 -0.294 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCN(CC(F)(F)F)C2)N1 862459416 TUSQOAIBSGQXIG-JGVFFNPUSA-N 322.287 -0.703 50 20 DBGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)[C@H]1CCC(=O)N1 863153274 QUROZJIYOSVDEK-SNVBAGLBSA-N 315.333 -0.196 50 20 DBGD COCCN(C)NC(=O)c1cn(CC(=O)OC(C)(C)C)nn1 868241484 AWKSKWUFTNJWMA-UHFFFAOYSA-N 313.358 -0.157 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H]1CC(c2ccccc2)=NO1 869908891 ATYSWYVGVRCJJF-CYBMUJFWSA-N 321.333 -0.010 50 20 DBGD O=C1C[C@H](C(F)(F)F)[C@@H](C(=O)NNC(=O)NC2CC2)CN1 874194222 TZPQMDHHXACAEG-BQBZGAKWSA-N 308.260 -0.206 50 20 DBGD COc1ccc(NC(=S)NNC(=O)CN(C)C(C)=O)cn1 874954665 ZKIMAJSLNZCESG-UHFFFAOYSA-N 311.367 -0.114 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)CN2C(=O)CNC2=O)c1 1115824761 USCVXVPBBNFLTD-UHFFFAOYSA-N 319.321 -0.935 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 1115890024 CUMWGKVGCVTJJY-UHFFFAOYSA-N 300.296 -0.860 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(C)on2)n1 1116619099 OOFVXEIWFLNUCI-UHFFFAOYSA-N 320.309 -0.418 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H]1CN2CCN1C[C@@H]2C)C1CC1 1123926342 WLIOYZFMUSWOMP-JBLDHEPKSA-N 311.455 -0.332 50 20 DBGD O=C(Cc1c[nH]c2cnccc12)NNC(=O)C(=O)NC1CC1 1261254298 HEIGGSIEEXITPL-UHFFFAOYSA-N 301.306 -0.469 50 20 DBGD CC(C)NC(=S)NNC(=O)c1cnc2c(c1)NC(=O)CO2 1320526083 VBTXYAUZKJHIBH-UHFFFAOYSA-N 309.351 -0.070 50 20 DBGD O=C1CN(c2ccnc(C(=O)NNc3ncccn3)c2)CCN1 1320939563 OQXSYRWVABSAQV-UHFFFAOYSA-N 313.321 -0.435 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCC[C@@H]1CCO 1321527733 ORNBNTZEPCKVPM-MNOVXSKESA-N 312.370 -0.510 50 20 DBGD O=C(COCC(=O)NNC(=O)NC1CC1)NCc1cccnc1 1322590917 NPCXUVOZKRNXDZ-UHFFFAOYSA-N 321.337 -0.793 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNc2ncc(F)cn2)cn1 1325107482 IORMUNJNTJEVMI-UHFFFAOYSA-N 312.286 -0.585 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C#N)cn1 1326048757 UUFIJQYYIANIHF-WPRPVWTQSA-N 317.305 -0.536 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC#N)c1 1326657944 UUXCMUNRNQCSEY-UHFFFAOYSA-N 310.335 -0.052 50 20 DBGD Cc1csc(C(=O)NNC(=O)C(=O)Nc2nnn(C)c2C)c1 1331767111 LESUJAXOZOBQKY-UHFFFAOYSA-N 322.350 -0.107 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC)cc1C 1338692761 CBAISDPIUSLMHT-UHFFFAOYSA-N 309.278 -0.737 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1scnc1C1CC1 1342601978 TYQTXRWETRTFHN-UHFFFAOYSA-N 311.367 -0.332 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccn(CC(F)F)n2)N1 1351629505 YPOBRMTYHQYHLX-LURJTMIESA-N 301.253 -0.812 50 20 DBGD CCOC(=O)[C@H](N)C(=O)NNC(=O)c1cccc(N(C)C)c1 1577921754 QZSCBLQATCCBTP-LLVKDONJSA-N 308.338 -0.596 50 20 DBGD COc1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1599577984 LHTADVNNGVCPSN-UHFFFAOYSA-N 315.669 -0.481 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1ncccc1C(=O)O 1605693974 UWTFBMRKNKOBSV-UHFFFAOYSA-N 314.323 -0.742 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccsc1CC(=O)O 1607367761 ZAFJGCDNSDFEJP-UHFFFAOYSA-N 320.348 -0.819 50 20 DBGD O=C(O)CNC(=O)NNS(=O)(=O)c1ccc(Cl)s1 1608754662 WXOHMHVOFZQATB-UHFFFAOYSA-N 313.744 -0.021 50 20 DBGD CN(C)CC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349796 OFWATAMNNJKJPH-SNVBAGLBSA-N 303.790 -0.649 50 20 DBGD O=C(c1cnccn1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841349829 RCEJLRUDZKBWMV-LLVKDONJSA-N 324.768 -0.107 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)NCC(=O)N(C)C 43715285 UXOQUOCVYXYZIT-UHFFFAOYSA-N 324.337 -0.507 50 20 DBGD COCC(=O)N[C@H](C(=O)NNc1nccc(OC)n1)C(C)C 265928221 XBBQSQQZKAMGCZ-NSHDSACASA-N 311.342 -0.285 50 20 DBGD CNC(=O)c1cc(S(=O)(=O)NN(C)C(=O)OC)cn1C 497208610 HUPHDFFOKSWOHI-UHFFFAOYSA-N 304.328 -0.724 50 20 DBGD O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cccc(B(O)O)c1 584954066 CBFVEJUNRKJJIR-UHFFFAOYSA-N 315.138 0.236 50 20 DBGD O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1cccc(B(O)O)c1 584967786 BWCMGVCUFHDXCK-HUUCEWRRSA-N 318.182 -0.651 50 20 DBGD CC(C)[C@H](CNCc1ccc(B(O)O)cc1F)N1CCOCC1 585015298 WKHWZYZRRUPSEH-INIZCTEOSA-N 324.205 -0.048 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 725906085 QRGDZJVZHCMFRT-SNVBAGLBSA-N 308.294 -0.968 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc(O)c1O 728437102 MDHDEPSCKNOZGM-SSDOTTSWSA-N 301.324 -0.514 50 20 DBGD COCCN(CC(=O)NNC(=O)C(C)(C)C)CC(=O)OC 744403504 PZEAHOPAWXAJHS-UHFFFAOYSA-N 303.359 -0.699 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ncc(CC)s1 756169054 FVDRPKDJXGMJDV-UHFFFAOYSA-N 300.340 -0.172 50 20 DBGD CNC(=O)CCOc1ccc(NC(=O)NNC(=O)CO)cc1 756459547 OJLZXASVENLMEM-UHFFFAOYSA-N 310.310 -0.654 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cccc2nccn12 771099988 IIKSIXPQSJUEAF-VIFPVBQESA-N 309.351 -0.278 50 20 DBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccccc1F 779491673 SXNCHEXHXXCDRC-PRHODGIISA-N 323.324 -0.138 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnc(CC(C)C)nc1 792356029 LAIKJDXAWIUGHM-UHFFFAOYSA-N 323.353 -0.203 50 20 DBGD Cc1nn2cccnc2c1C(=O)NNC(=O)N1CCN(C)CC1 807378834 MRFMEFPBRHZITG-UHFFFAOYSA-N 317.353 -0.360 50 20 DBGD Cc1cc(C)n(CCC(=O)NNC(=O)N2CCN(C)CC2)n1 807382583 GUBZWTMRIKUZIT-UHFFFAOYSA-N 308.386 -0.122 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)N1CCN(C)CC1 819721403 RUFSOKRRVARCAI-UHFFFAOYSA-N 324.341 -0.904 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 826667536 PUOBOHFOFFJTPH-TUAOUCFPSA-N 319.365 -0.206 50 20 DBGD CC(C)OC[C@H]1CN(CC(=O)NNC(=O)C(C)C)CCO1 828929742 SKTQBNGCCCAEMY-GFCCVEGCSA-N 301.387 -0.084 50 20 DBGD CCS(=O)(=O)C1CN([C@H](C)C(=O)NNC(=O)CC(C)C)C1 852142016 OJMOBWAHXAAXJP-SNVBAGLBSA-N 319.427 -0.313 50 20 DBGD Cc1ccc(F)c(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862458192 ZNGSEXLMRYSJBV-JTQLQIEISA-N 309.297 -0.061 50 20 DBGD C[C@H]1Cc2cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc2O1 863467118 NUGCYXMASFPSKL-QMMMGPOBSA-N 312.347 -0.184 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)c1ccncc1 899904262 GYVHPYLUBMVRRA-UHFFFAOYSA-N 302.338 -0.086 50 20 DBGD CN(C)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cn1 920435765 NPCOLMHFTSGOCY-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD CC(=O)NCc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 1115816710 AZBHHHFREBOGHS-UHFFFAOYSA-N 320.349 -0.392 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1(OC)CCOCC1 1117068483 KZZMCRROBGZXIA-SECBINFHSA-N 302.327 -0.329 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN(C)S(C)(=O)=O)cc1 1248605221 NAIVHGQKWGEWLI-UHFFFAOYSA-N 315.351 -0.652 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 1317822074 MQVVBGNGFYYAJZ-QMMMGPOBSA-N 308.429 -0.686 50 20 DBGD CC(C)NC(=S)NNC(=O)c1cnc2nc(O)nc(O)c2c1 1319761963 BLAPIAMJDBEXFI-UHFFFAOYSA-N 322.350 -0.047 50 20 DBGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)NCC1CC1 1324213567 NNZJFBWDGWGKRL-SNVBAGLBSA-N 303.384 -0.058 50 20 DBGD Cc1ccncc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1328219823 HMRRKYMLBADJFR-NXEZZACHSA-N 306.322 -0.099 50 20 DBGD CNC(=S)N(C)NC(=O)c1ncccc1S(C)(=O)=O 1329333242 BYOFDOBUKVWXLC-UHFFFAOYSA-N 302.381 -0.434 50 20 DBGD O=C(NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1cn[nH]c1 1329644694 NVZIQPAYNUYSPD-SECBINFHSA-N 312.351 -0.614 50 20 DBGD C[C@H](CO)N(C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 1329863432 YHHAPQXGLAAXNP-SNVBAGLBSA-N 307.416 -0.608 50 20 DBGD Cn1cc(-n2cc(C(=O)NNC(=O)NC3CC3)ccc2=O)cn1 1337872895 BAFBSAIURYFGIG-UHFFFAOYSA-N 316.321 -0.323 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccnn1-c1ccccc1 1337980570 IVNVHBXVVNMAME-UHFFFAOYSA-N 317.305 -0.659 50 20 DBGD CN(C)c1nccc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)n1 1549320845 ONBVCDOZBMKPEI-STQMWFEESA-N 318.381 -0.144 50 20 DBGD Cn1cnc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)n1 1592586673 ATVYMPYBZWFTHX-UHFFFAOYSA-N 320.704 -0.200 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 1593994517 HUKYPMQCOATVTM-UWVGGRQHSA-N 317.342 -0.377 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccsc1C(=O)O 1596860380 CLUVIWIVTWABSA-UHFFFAOYSA-N 315.307 -0.431 50 20 DBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@H]1C(=O)O 1603425783 UQWKSHPOUBEKLD-LDYMZIIASA-N 309.102 -0.312 50 20 DBGD CNC[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1604892034 KBCLEQDYNAUHDC-MRVPVSSYSA-N 318.341 -0.581 50 20 DBGD O=C(O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(B(O)O)ccc1F 1608801958 MRXQUTIDDAFCME-VIFPVBQESA-N 317.028 -0.560 50 20 DBGD CNC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 139316077 AFAACCNFWWBZJN-UHFFFAOYSA-N 318.330 -0.350 50 20 DBGD CC(C)[C@H](C(=O)NNc1ncccn1)N1CCCS1(=O)=O 269445365 JYFBGUZGRBRUMJ-SNVBAGLBSA-N 313.383 -0.020 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)C2CCC2)c(=O)c1 279094942 GRFJKGXHVJXESJ-HNNXBMFYSA-N 307.350 -0.145 50 20 DBGD Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)CO)CC2=O)cc1 367703340 GFFFXRHWHKVPBL-LBPRGKRZSA-N 305.334 -0.517 50 20 DBGD CC(C)(O)CN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584942344 TUZIHQSGCCRRBF-UHFFFAOYSA-N 324.161 -0.966 50 20 DBGD CC(C)COC[C@@H](O)CNC(=O)c1ccc(B(O)O)c(F)c1 584961971 DCIUHRALWUXFIG-NSHDSACASA-N 313.134 -0.731 50 20 DBGD CCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(B(O)O)c(F)c1 584976758 SBKKCQYHSFJBMV-QWHCGFSZSA-N 311.118 -0.571 50 20 DBGD Cn1cc([C@@H]2OCC[C@H]2NCc2ccc(B(O)O)cc2F)cn1 585048430 PGXUXBHYXIFVDS-CABCVRRESA-N 319.145 -0.141 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(O)c(O)c1O 728435888 ATRZIYWDAWTZPM-ZCFIWIBFSA-N 317.323 -0.809 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)no1 729277221 WDTSMPQZDWHWLV-ZCFIWIBFSA-N 305.316 -0.927 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNc1ccccn1 743639673 GDPZDUSAUGLNKN-UHFFFAOYSA-N 302.356 -0.231 50 20 DBGD O=C(CO)NNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 753446016 YODWLWRSSWCDGQ-UHFFFAOYSA-N 305.250 -0.466 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCCNC(=O)C1CC1 772002190 SQTYPVHPFYFEAD-VIFPVBQESA-N 313.354 -0.218 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 775247833 BEZKAYYTQXIDFQ-UHFFFAOYSA-N 321.742 -0.467 50 20 DBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)C1CCC1 776942397 LUAOQZUZNLKOKY-VXGBXAGGSA-N 315.370 -0.063 50 20 DBGD COCC(=O)N1CCc2cc(NC(=O)NNC(=O)CO)ccc21 779922340 MPNLAJYZFZHZNN-UHFFFAOYSA-N 322.321 -0.633 50 20 DBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNc1ncc(F)cn1 792284510 IMPPUVDFFRZWNE-CQSZACIVSA-N 321.312 -0.020 50 20 DBGD CN(CCC(N)=O)CC(=O)NNC(=O)c1ccc(C#N)cc1 796601117 GGOYIPKKZORMRA-UHFFFAOYSA-N 303.322 -0.874 50 20 DBGD CC(C)(C(=O)NNC(=O)NCC(F)(F)F)S(C)(=O)=O 798314130 YMXWDBOUKAPEFZ-UHFFFAOYSA-N 305.278 -0.298 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@]12CCC(=O)N1CCS2 802030784 RLZJLHGLGFIRPN-ZDUSSCGKSA-N 321.362 -0.278 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)CC2 807379716 CAXYGAYOGWCYQZ-LLVKDONJSA-N 321.385 -0.863 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnc3[nH]c(O)nc3c2)n[nH]1 809723345 HDOSACQBOQCTDQ-UHFFFAOYSA-N 301.266 -0.230 50 20 DBGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1cnnn1C 814873788 QFWFRXPAPHLZIG-UHFFFAOYSA-N 301.310 -0.520 50 20 DBGD CCN(CCO)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 823833822 KILWCQQPLFUDFP-VXGBXAGGSA-N 311.382 -0.103 50 20 DBGD CC(C)CC(=O)NNS(=O)(=O)c1cnn(CC(=O)O)c1 826755180 ZRAJZGRGDNPPLK-UHFFFAOYSA-N 304.328 -0.677 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 831769117 FHVPTVYYSNPCAA-HTQZYQBOSA-N 323.309 -0.159 50 20 DBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CC(=O)N1 832282919 FKFYGOHRLPIQTK-ZETCQYMHSA-N 313.335 -0.570 50 20 DBGD CCO[C@H]1C[C@@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)C1 838748138 AOGGAYOTHUDOEE-MXWKQRLJSA-N 303.359 -0.064 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)CCOCC1CC1 842590937 TXVITWVYFFCSBA-KOLCDFICSA-N 306.384 -0.211 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 842591585 DNFUXQGSYMVBLF-SCZZXKLOSA-N 302.356 -0.363 50 20 DBGD COc1cccc(CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 858142910 QTWYAVNTVAOYAX-GFCCVEGCSA-N 320.349 -0.153 50 20 DBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cnn1C(C)(C)C 862451721 PQSQIYBRVFQOPI-JTQLQIEISA-N 307.354 -0.014 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 910170352 KJIQRYGQZPBNMD-RKDXNWHRSA-N 321.424 -0.241 50 20 DBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NN)cc1 917371514 ACVAQJVNAAWXGA-UHFFFAOYSA-N 301.324 -0.869 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CC1OCCCO1 1116931958 KAGNSXJQOOXCBG-UHFFFAOYSA-N 322.321 -0.888 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)c3cnc(S)[nH]3)nc21 1116934107 VMUOUTRJGZNPIS-UHFFFAOYSA-N 306.311 -0.162 50 20 DBGD C[C@@H](OCc1ccncc1)C(=O)NNC(=O)N1CCN(C)CC1 1118970259 JOGYWRFGHLAQFR-GFCCVEGCSA-N 321.381 -0.025 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)CS(=O)(=O)C1CCCC1 1321003220 ZNANPUGSIJZWTC-UHFFFAOYSA-N 314.367 -0.543 50 20 DBGD CCc1nn(C)cc1NC(=O)C(=O)NNc1nccc(OC)n1 1321204811 RFPVLFIIOHVIKD-UHFFFAOYSA-N 319.325 -0.137 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)C2CC2)c(C(F)(F)F)n1 1326544745 VEXBRJORMLNVAG-UHFFFAOYSA-N 319.243 -0.065 50 20 DBGD COCCOCCCNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 1329237213 UDAACRKUXKAAEP-GHMZBOCLSA-N 303.359 -0.205 50 20 DBGD CNC(=O)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1340639872 XYDGFWMWRIWVQO-UHFFFAOYSA-N 312.351 -0.684 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1conc1C(F)(F)F 1350529078 JIHYVUCPZUWRLF-UHFFFAOYSA-N 308.216 -0.021 50 20 DBGD CS(=O)(=O)c1ccc(C=NNC(=O)[C@@H]2CCC(=O)N2)cc1 1351649847 BPPDUKJUJJRGJT-NSHDSACASA-N 309.347 -0.181 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCNC[C@@H]1c1nccn1C 1575398223 KVYVBSRSQUETBW-LLVKDONJSA-N 308.386 -0.830 50 20 DBGD CN(CCOCCN)CC(=O)NNC(=O)c1ccc(C#N)cc1 1578477432 RNZLJUCBABZOJS-UHFFFAOYSA-N 319.365 -0.774 50 20 DBGD CN[C@H](CC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1578589538 CFAZSFMTCWESKA-NXEZZACHSA-N 319.427 -0.407 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 1590393350 CDLZKZANTWGQEY-ZCFIWIBFSA-N 314.327 -0.185 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(CC(=O)O)c1 1599747136 GEHVCYIZENBELK-UHFFFAOYSA-N 314.319 -0.881 50 20 DBGD C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787450218 NRSRMSHGVQUIRW-AJBSGBCOSA-N 322.764 -0.119 50 20 DBGD CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795145292 HHXQDAROKGLCIA-LSCVPOLPSA-N 318.801 -0.024 50 20 DBGD CC(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841348499 UUNRBMIWVNIBSS-QWRGUYRKSA-N 318.801 -0.194 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843331821 LGNFQRDWEMREDF-WDEREUQCSA-N 313.785 -0.683 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C)CC2)c(O)c1 111572942 LFUJOYVVUUWLSC-UHFFFAOYSA-N 306.366 -0.291 50 20 DBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nc(=O)[nH][nH]1 127157364 NVOMBXBMSNVXIB-UHFFFAOYSA-N 300.278 -0.417 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C1(NC(N)=O)CC1 270974437 UHXFXNIMNHIHTB-UHFFFAOYSA-N 322.321 -0.578 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCN1C(=O)COc2ccccc21 276280198 PVIWVQYMHVKZCB-UHFFFAOYSA-N 321.333 -0.280 50 20 DBGD COCCN(C)NC(=O)CNS(=O)(=O)c1cccs1 288418943 MGJDMIISHAXUMK-UHFFFAOYSA-N 307.397 -0.364 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)O1 293907545 MBOZMLJIWLMCFX-RCOVLWMOSA-N 305.294 -0.420 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)OC)cc1 298294264 HNHKXHYNVOGPQE-UHFFFAOYSA-N 301.324 -0.014 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)c(O)c1 299559955 MZPMELWZKDTLOC-UHFFFAOYSA-N 307.306 -0.216 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCO[C@@H]1C1CC1 375109709 HGQIQXDMOANEPM-IAQYHMDHSA-N 324.381 -0.199 50 20 DBGD O=C(NC[C@H](CO)Cc1cccnc1)c1cccc(B(O)O)c1 584984315 ZEPRHXHILCCDGA-CYBMUJFWSA-N 314.150 -0.658 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](B(O)O)C1 585066898 SQIKQQGBMWCJTR-DTWKUNHWSA-N 306.193 -0.974 50 20 DBGD CN(C)CC(=O)NNC(=O)CCS(=O)(=O)C1CCCC1 727762903 JFRRQYVKPCVXPF-UHFFFAOYSA-N 305.400 -0.557 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730514146 CHBZSAJYOQLOJS-UHFFFAOYSA-N 308.298 -0.373 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cn1 732083521 WLEYNLUKIYNUBR-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)CC1(O)CCCC1 746198167 YWBMXSABCMWQMV-UHFFFAOYSA-N 309.322 -0.148 50 20 DBGD COCCCNC(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 746839402 XVGICEDQWIQEHM-UHFFFAOYSA-N 321.399 -0.432 50 20 DBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)C(=O)N1CCCC1 748245909 UCHBKWDQHFNUME-GHMZBOCLSA-N 313.354 -0.660 50 20 DBGD O=C(NCC1CC1)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 749357463 SBGNLJRYZWWYTF-VIFPVBQESA-N 306.326 -0.497 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)Cn1ccccc1=O 752817158 QWEHCWLADDBRCJ-UHFFFAOYSA-N 317.301 -0.220 50 20 DBGD C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cccc(C#N)c1 756513495 GNJCMRYFYVXUGL-SNVBAGLBSA-N 315.333 -0.860 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNc2cccnn2)O1 774777350 WNNAMROPHAQSQY-ZJUUUORDSA-N 308.342 -0.262 50 20 DBGD NC(=O)CCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 786679211 KUERRJFINUYGKF-UHFFFAOYSA-N 317.309 -0.921 50 20 DBGD COc1ccnc(NNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)n1 788282271 VUDALFFHSCZPPW-HTQZYQBOSA-N 302.356 -0.003 50 20 DBGD CCc1nc(NC(=O)C(=O)NNC(=O)CN(C)C)sc1C 789734589 DWGGXJCAINVIRS-UHFFFAOYSA-N 313.383 -0.339 50 20 DBGD C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccccn1 800333111 MBJSMWIUHKOIBL-NGZCFLSTSA-N 306.322 -0.019 50 20 DBGD O=C(CN1CC[C@H](C(=O)N2CCCC2)C1)NNC(=O)C1CC1 805808375 SXFRAKVXTNZEGG-LBPRGKRZSA-N 308.382 -0.512 50 20 DBGD CC(C)n1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)nn1 807970592 PGTMBVMBRGNDOK-QMMMGPOBSA-N 302.360 -0.753 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(C)(C)CN2CCOCC2)n[nH]1 821405583 GLKGRPSELIPJTI-UHFFFAOYSA-N 309.370 -0.162 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)[C@@H]1CCCCO1 836284020 PVLSQXWAFFUDOW-NSHDSACASA-N 302.375 -0.536 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccccc1OCC(N)=O 843640263 BEUUNNKRXVHCEP-VHSXEESVSA-N 321.333 -0.263 50 20 DBGD CNC[C@H](C)NC(=O)NNC(=O)COc1ccccc1C#N 851681057 MGRVGYICAFOLDK-JTQLQIEISA-N 305.338 -0.125 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)c1cccc(F)n1 852062645 JPCRLOSCGAYMJP-UHFFFAOYSA-N 313.333 -0.257 50 20 DBGD CC(C)(C)[C@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858699305 NWXLJVGBXXJXBF-NXEZZACHSA-N 312.370 -0.247 50 20 DBGD O=C(CN1CCCCCCC1=O)NNC(=O)[C@H]1CCC(=O)N1 862452200 UHMKNEHTIAEIFP-SNVBAGLBSA-N 310.354 -0.795 50 20 DBGD O=Cc1ccc(OCCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862456567 ZJCKDLRXRNUVDO-LBPRGKRZSA-N 319.317 -0.306 50 20 DBGD Nc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461335 ODKYGCWBRQEMQL-SECBINFHSA-N 307.266 -0.783 50 20 DBGD O=C(CNC(=O)c1cc(B(O)O)ccc1F)NC1CCCC1 865050928 WNVSRZNQVKTIDY-UHFFFAOYSA-N 308.118 -0.706 50 20 DBGD C=CCCO[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 921148950 WKCWADSEHORYHB-ZJUUUORDSA-N 304.368 -0.450 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 1115892154 KGLVOBFYHCWPJN-UHFFFAOYSA-N 310.328 -0.441 50 20 DBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 1118123774 PEVJRPDIDMFPTO-GARJFASQSA-N 312.370 -0.249 50 20 DBGD CN(CCS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)n1 1118507418 WECJJGQRMXCRHD-UHFFFAOYSA-N 318.330 -0.449 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1263729196 OLWLMLSBMBZNFS-AAEUAGOBSA-N 318.377 -0.156 50 20 DBGD CC(C)(C)OCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320127550 PAUPSTANOWENMY-MRVPVSSYSA-N 307.372 -0.681 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCN(c2cnc(O)nc2N)CC1 1321603438 RHGRKWAACWAPRJ-KTKRTIGZSA-N 318.337 -0.143 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)C2(NC(N)=O)CC2)c1 1324946596 VIBLLRCVVMOVQB-UHFFFAOYSA-N 312.351 -0.266 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc[n+]([O-])c1 1325006900 VEVHPZSWXYLBMZ-UHFFFAOYSA-N 310.310 -0.394 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1COc2cc(F)ccc2C1 1333799566 NLCRIZCEXJVPSE-SECBINFHSA-N 311.269 -0.367 50 20 DBGD CN(C)N(C(=O)[C@H](O)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1343773698 MIZMUPVNQSQYHB-CMPLNLGQSA-N 313.379 -0.393 50 20 DBGD COC(=O)C[C@H](N)C(=O)NNC(=O)c1ccc2ccccc2n1 1578819241 SEHGSQXZQMJFBE-JTQLQIEISA-N 316.317 -0.114 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)C1(O)CCOCC1 1582562684 YPPWAAQZSWZUMD-UHFFFAOYSA-N 305.298 -0.754 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)Cc1cccnc1 1594567685 CWVARWDNBBWNQT-UHFFFAOYSA-N 303.278 -0.483 50 20 DBGD COc1ccnc(NNC(=O)CN2CCC[C@H](C(=O)O)C2=O)n1 1599722914 YOIPENXQTGEHEE-QMMMGPOBSA-N 323.309 -0.749 50 20 DBGD O=C(NCc1ccc(-n2cccn2)cc1)NNC(=O)C(=O)O 1601533246 GTAQYIMTEGRTJZ-UHFFFAOYSA-N 303.278 -0.213 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)CC1)[C@H]1COCCO1 1610700247 MASNHGWQFADKNP-OPRDCNLKSA-N 300.311 -0.560 50 20 DBGD O=C1Nc2ccccc2/C1=N\NC(=O)[C@@H]1CCS(=O)(=O)C1 7324205 TVKREZJCRUFWJN-MRVPVSSYSA-N 307.331 -0.106 50 20 DBGD Cn1c(NNC(=O)[C@@H]2COCCN2)nc2ccccc2c1=O 237870173 ZYYVLLBIHUWBHV-NSHDSACASA-N 303.322 -0.635 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)COc1cc(C)ccc1C 270548574 ZDDVLOFARVOAHF-UHFFFAOYSA-N 308.338 -0.241 50 20 DBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)Cn1nc(C)cc1C 276847287 GTKVZISSYVQEIF-NSHDSACASA-N 324.385 -0.303 50 20 DBGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)C1CCC1 290876062 SYPUKFMRECAWDR-UHFFFAOYSA-N 312.351 -0.693 50 20 DBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)cs1 292169322 XDKGNJQARRRUMD-ZETCQYMHSA-N 320.348 -0.065 50 20 DBGD NC(=O)C1=NO[C@H](CNC(=O)NNc2ccc(Cl)nc2)C1 298046337 SDFUOYNULCDRSG-ZETCQYMHSA-N 312.717 -0.009 50 20 DBGD O=C(Cn1nc(-c2ccccc2)oc1=O)N1CC[C@@H](B(O)O)C1 585068554 DKXMOHYRVDDZLK-LLVKDONJSA-N 317.110 -0.421 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCN2CCSCC2)cn1 735581668 QZRCIIKCCFPEDJ-UHFFFAOYSA-N 312.399 -0.587 50 20 DBGD O=C(O)NCCC(=O)NNC(=O)Cn1cnc2ccccc21 739937572 AGGFRWHTSPPUCT-UHFFFAOYSA-N 305.294 -0.159 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1CCCCC1 758040880 STPSHYXTLMERFC-VIFPVBQESA-N 321.399 -0.579 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2ccc(F)cc2)nn1 763011384 FBCHZXQMWGCJHK-QMMMGPOBSA-N 307.285 -0.068 50 20 DBGD CC(=O)N(C)CC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 771989428 IFNCVQMKNPQCOW-VIFPVBQESA-N 301.343 -0.410 50 20 DBGD CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)CO)cc1 777782079 YIPWFXQULBLOIQ-UHFFFAOYSA-N 323.349 -0.265 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)CBr)O1 782472277 NQTKHVIKJIPUPD-RITPCOANSA-N 301.162 -0.709 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CC(=O)N(C)C[C@H]2C)c1 782588594 XXRIHGPAZLTQMC-GFCCVEGCSA-N 318.377 -0.081 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C[C@H](C)O)[C@@H](C)CO)cc1 785537495 PXWLGITYLAOYNL-STQMWFEESA-N 323.393 -0.180 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCc2cnn(C)c2C1 798931124 HNLLGCCIGXRFOQ-SNVBAGLBSA-N 309.370 -0.108 50 20 DBGD NC(=O)COc1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1 814954923 PGPSUPZFGPGHBF-UHFFFAOYSA-N 301.306 -0.033 50 20 DBGD Cc1onc(CC(=O)NNc2ncc(F)cn2)c1-c1nn[nH]n1 826348209 AKOIQQYYLYOWNH-UHFFFAOYSA-N 319.260 -0.222 50 20 DBGD C[C@@H](C[C@@H](C)N)NC(=O)NNc1nc(O)c2cnn(C)c2n1 831211520 HBRNUHQSEQVRKH-RQJHMYQMSA-N 308.346 -0.179 50 20 DBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCl 831304522 SJSFHOHZDQDVGV-BQBZGAKWSA-N 300.764 -0.442 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 841999719 IEBVBZDBLRTSMT-IMRBUKKESA-N 320.349 -0.378 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cc3n(n2)CCCC3)N1 861110170 VOVSTNZZUQTUDQ-SECBINFHSA-N 306.326 -0.349 50 20 DBGD CC1=C(C(=O)NNC(=O)c2cn[nH]c2)[C@@H](C)n2nnnc2N1C 862469482 LRPJLWYRVFCUMR-SSDOTTSWSA-N 317.313 -0.858 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cccc([N+](=O)[O-])c1 863462795 KZBGBRRCWSGUOE-UHFFFAOYSA-N 315.307 -0.671 50 20 DBGD O=C1N[C@H]2CN(C(=O)c3cc(B(O)O)ccc3F)CC[C@@H]2CO1 863885298 XZCPELDKCZYOTI-PELKAZGASA-N 322.101 -0.924 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCCCn2ccnc2)N1 1118858692 RDRUNYXLCODVBX-JTQLQIEISA-N 308.342 -0.728 50 20 DBGD C[C@H]1OCC[C@@]12CN(C(=O)NNC(=O)c1cn[nH]c1)CCO2 1118864629 REKBHIGKCXNVMG-NOZJJQNGSA-N 309.326 -0.356 50 20 DBGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)C(=O)OC)cc1 1318911768 NTSZOMUTBQRWNV-UHFFFAOYSA-N 313.335 -0.392 50 20 DBGD CC(C)Cc1cc(NC(=O)C(=O)NNC(=O)CCO)n(C)n1 1320240842 ISHDKAJEXGHOHH-UHFFFAOYSA-N 311.342 -0.913 50 20 DBGD C[C@H](NCC(=O)NNC(=O)c1ccccc1)c1nncn1C 1320579374 NULYODZAIAHGBZ-JTQLQIEISA-N 302.338 -0.073 50 20 DBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 1323916295 HSXYDRJGHLSFKD-SNVBAGLBSA-N 308.342 -0.625 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCOC(=O)N2)cc1 1328770764 JKYBSQMESOSXJW-SNVBAGLBSA-N 320.305 -0.421 50 20 DBGD C[S@@](=O)c1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 1330168609 NEYSXBGRLZIFAU-LJQANCHMSA-N 318.376 -0.770 50 20 DBGD CN1CCN(C(=O)NN=C2NS(=O)(=O)c3ccccc32)CC1 1342919891 UPDRCKDMXMTPFA-UHFFFAOYSA-N 323.378 -0.403 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 1347348461 ORWVZLMPUMYEFG-UHFFFAOYSA-N 306.278 -0.487 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@@H]2CNOC2)cc1OC 1579194884 WRLPBIRYSXZHDW-SECBINFHSA-N 310.310 -0.449 50 20 DBGD CC(=NNC(=O)[C@H]1COCCO1)c1cc(-c2nn[nH]n2)ccn1 1588776123 ZFSNVVQQQPORMX-LLVKDONJSA-N 317.309 -0.483 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)c1ccc(-c2nn[nH]n2)[nH]1 1593158416 SMEMTXSYEMXFBZ-MRVPVSSYSA-N 307.339 -0.149 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(n2cnnn2)CC1 1593162186 PAYLLQBAWNRQGA-UHFFFAOYSA-N 312.297 -0.514 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCO[C@@]2(CCSC2)C1 1601552958 PDNKCGGBHDZGQB-CPCISQLKSA-N 303.340 -0.544 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2cccc(C(=O)O)c2F)C1=O 1606189746 RYPYYVICXMPZAP-UHFFFAOYSA-N 324.268 -0.139 50 20 DBGD Cn1nc(Br)nc1C=NNC(=O)NCC(=O)O 1608140091 OPXTXAPHVFDXSR-UHFFFAOYSA-N 305.092 -0.705 50 20 DBGD COCCCNC(=O)NNC(=O)CCNC(=O)c1ccco1 65208064 LEZAWPNVGDBNPF-UHFFFAOYSA-N 312.326 -0.234 50 20 DBGD CNC(=O)[C@H](C)CN(C)CC(=O)NNC(=O)c1ccccc1 81556923 KTOKVIDJOAOGBX-LLVKDONJSA-N 306.366 -0.239 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(N)=O)nn1 268275353 UKKGQGNUHXQFBF-ZETCQYMHSA-N 324.341 -0.068 50 20 DBGD COC(=O)c1ccccc1S(=O)(=O)NNC(=O)N(C)C 299465276 ZTSDDNXXSXOEHF-UHFFFAOYSA-N 301.324 -0.062 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCc2nccn2C1 376957512 KROHUXTUSNDMEV-JTQLQIEISA-N 321.381 -0.102 50 20 DBGD C[C@@H]1[C@H](C(=O)NNC(=O)CO)CCN1C(=O)OC(C)(C)C 492696158 MIYLJMZOBCOCNC-RKDXNWHRSA-N 301.343 -0.228 50 20 DBGD O=C(NCCCCn1ccccc1=O)c1ccc(B(O)O)cc1 584940750 YZSROBDNVBRGOB-UHFFFAOYSA-N 314.150 -0.262 50 20 DBGD O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(B(O)O)c1 584965593 QKDWCEXOACDXDY-CQSZACIVSA-N 311.150 -0.230 50 20 DBGD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc(B(O)O)c1 584980348 XGSXKUPLLNNWDN-DRZSPHRISA-N 302.139 -0.908 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCn2c(nnc2C(F)F)C1 584985567 NIDLSSNOSYYWPD-UHFFFAOYSA-N 322.080 -0.449 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(c2cnccn2)CC1 744387822 XXIFCXYBAALQFF-UHFFFAOYSA-N 320.397 -0.208 50 20 DBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1cccc([N+](=O)[O-])c1 748005067 JYVPSYVUKIHRCT-UHFFFAOYSA-N 319.277 -0.022 50 20 DBGD CS[C@H](C)CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758025736 NNVVUTCENNPJBJ-SFYZADRCSA-N 311.429 -0.397 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCc2ccnn2C)n1 763161563 ODQOWUOQAVUCKD-UHFFFAOYSA-N 319.369 -0.193 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc2c(c1)OCCO2 763563163 PQWJPSJCYUSMFG-UHFFFAOYSA-N 305.290 -0.046 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1COCCN1CC 772236618 RKMLSYMBEYWCSR-VHSXEESVSA-N 301.343 -0.804 50 20 DBGD COC(=O)CN(CC#N)CC(=O)NNC(=O)c1cccs1 777596579 SNUZZBDTSZSHDK-UHFFFAOYSA-N 310.335 -0.492 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc(OCC(=O)O)cc1 779821061 MGKKEVVAMYTARE-UHFFFAOYSA-N 309.278 -0.044 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CSCCS2)CC1 788166559 PSQJPKVHQZCYPC-VIFPVBQESA-N 304.441 -0.177 50 20 DBGD COc1c(O)nc(O)nc1C(=O)NNC(=O)c1ccccn1 788619486 QQEIEVUHLBFBQK-UHFFFAOYSA-N 305.250 -0.634 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1COc2cc(F)ccc21 814835090 GROLBRBBVZVDEW-ZETCQYMHSA-N 315.326 -0.024 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 825138045 YUXVQZJXWOMBDK-JTQLQIEISA-N 301.343 -0.945 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)COc1ccccc1O 826773937 MATAPTOWAVTXQR-JTQLQIEISA-N 307.306 -0.461 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 831594752 WUDYOSOHOLKLGH-HTQZYQBOSA-N 309.282 -0.011 50 20 DBGD C[C@@H]1CC(=O)NCCN1CC(=O)NNC(=O)c1ccc(F)cc1 839533560 KMKHPUFXHMWNIV-SNVBAGLBSA-N 322.340 -0.203 50 20 DBGD CCC(O)(CC)CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858384135 GCULATPSRLDIBW-VIFPVBQESA-N 300.359 -0.463 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H](CO)c2ccccc2)N1 858696531 MSUVZLAGAUCPTH-QWRGUYRKSA-N 306.322 -0.671 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H](CO)Cc2ccccc2)N1 858698425 ZRXJAWWNWYPVTN-NWDGAFQWSA-N 320.349 -0.801 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)N1CCCCC1 863460083 MCIYGLSYOOQXEB-LBPRGKRZSA-N 319.427 -0.311 50 20 DBGD COC[C@](C)(CC(=O)OC)NC(=O)c1cccc(B(O)O)c1 863875635 AKUYRWWZEFNMEZ-AWEZNQCLSA-N 309.127 -0.936 50 20 DBGD Cc1nc([C@H]2COCCN2C(=O)c2ccc(B(O)O)cc2)no1 863878138 LSTMHFKIPAUSAZ-GFCCVEGCSA-N 317.110 -0.728 50 20 DBGD COC[C@@](C)(CO)NCC(=O)NNC(=O)Cc1ccccc1C 879161952 GGDMRUJLTCBFAZ-MRXNPFEDSA-N 323.393 -0.328 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccccc1[N+](=O)[O-] 921165609 QBICOGTYHOMKJZ-UHFFFAOYSA-N 309.282 -0.710 50 20 DBGD CC(=O)Nc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 1118943489 OQWXHSRXDDMIRA-GFCCVEGCSA-N 318.333 -0.387 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCN2CCC[C@H]2C1 1318093582 PMYBAJIUFITXPB-NEPJUHHUSA-N 323.397 -0.434 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 1320223850 FCYWAHYUGWPRJP-ZETCQYMHSA-N 320.305 -0.098 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNc1cccc(S(C)(=O)=O)c1 1320415221 AWTWIAZDUMDVHF-ZETCQYMHSA-N 300.340 -0.410 50 20 DBGD CCOCC(=O)NNC(=O)NCC1CCN(C(C)=O)CC1 1321640498 QEIJEMSBRPPPCS-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2nnc(C)n2C1 1322894534 LSZFPCZAEXLBKH-JTQLQIEISA-N 310.358 -0.484 50 20 DBGD CN(C)N(C(=O)C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1328705979 XPCJQEZZILXPBW-ZJUUUORDSA-N 303.384 -0.853 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCOC(=O)N1 1328933075 VJPCZBVAECHZMH-ZETCQYMHSA-N 316.314 -0.843 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](NC=O)C(C)C)cc1 1331277572 MWSSBOBNHRUYHC-LBPRGKRZSA-N 320.349 -0.148 50 20 DBGD O=C(NNC(=S)NCC1CCC1)N[C@H]1CCS(=O)(=O)C1 1338377731 CFUDJIZNAKDYGJ-VIFPVBQESA-N 320.440 -0.348 50 20 DBGD COCc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)no1 1340932682 NEUAIVYLOCHMHH-MRVPVSSYSA-N 301.324 -0.294 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCc3nncn3C2)n1 1344055948 QCMSTTPRBAPNRO-NSHDSACASA-N 317.353 -0.499 50 20 DBGD CSCCNC(=S)NNC(=O)c1cnn(CCO)c1 1346721368 BTLDLRUQGBQAGF-UHFFFAOYSA-N 303.413 -0.653 50 20 DBGD CS(=O)(=O)CCC=NNC(=O)[C@H]1CN2CCC[C@H]2CO1 1549903667 BVHKMHCVJBIJHC-WDEREUQCSA-N 303.384 -0.614 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ncccc1C(=O)O 1589148006 YACCXOGUBWBEIB-XVKPBYJWSA-N 322.321 -0.502 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)O 1589693727 ZELPNCHFPILDCS-SCZZXKLOSA-N 301.343 -0.910 50 20 DBGD Cn1c(C(=O)NNC(=O)C2CCOCC2)ccc1-c1nn[nH]n1 1592549645 LDRJZIXUPOUIJE-UHFFFAOYSA-N 319.325 -0.607 50 20 DBGD O=C1C[C@@H](CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CN1 1593385555 NAAYLEPNXJSLPQ-SSDOTTSWSA-N 317.313 -0.976 50 20 DBGD CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1597250591 TVWZKQFIJKMXBU-RDLWGGRYSA-N 305.356 -0.519 50 20 DBGD Cc1cccc(C(=O)NNC(=O)COC(=O)COCC(=O)O)c1 1600511953 LSOBUFOCFUYABE-UHFFFAOYSA-N 324.289 -0.600 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)c1cnc(C(=O)O)cn1 1608369748 XPAPQHIPZUKOJN-UHFFFAOYSA-N 301.262 -0.427 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 48961961 MYAIFPJOKGCTNK-UHFFFAOYSA-N 300.340 -0.489 50 20 DBGD CCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)o1 68266366 BPBZSBVDFUPDTG-UHFFFAOYSA-N 318.355 -0.068 50 20 DBGD Cc1sc2ncc(C(=O)NNC(=O)CN(C)C)c(=O)n2c1C 182534107 WVEMBIGVVNPHBH-UHFFFAOYSA-N 323.378 -0.305 50 20 DBGD CC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2)C(C)(C)C1 584971199 LHCOJNGRKCBPLI-UHFFFAOYSA-N 304.155 -0.551 50 20 DBGD COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(B(O)O)c(F)c1 584995853 WWVABCABIHLCND-QWRGUYRKSA-N 311.118 -0.619 50 20 DBGD OB(O)c1ccc(CNCCCNc2ncccn2)c(F)c1 585016238 JWYTXDNLDYMREY-UHFFFAOYSA-N 304.134 -0.113 50 20 DBGD CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCB(O)O 585053818 DDDQBAUZYWAOEL-GFCCVEGCSA-N 324.211 -0.025 50 20 DBGD O=S(=O)(NCB(O)O)c1ccc(Br)c(F)c1 585054798 RBKZBUJCDOHFNJ-UHFFFAOYSA-N 311.925 -0.122 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)CCc1ccccc1O 729941281 MMMQKAIJVXESNH-UHFFFAOYSA-N 324.406 -0.092 50 20 DBGD COC[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccccc1 745316853 HXZADLUNNIXRCA-CQSZACIVSA-N 310.306 -0.612 50 20 DBGD CC(C)c1ncncc1C(=O)NNC(=O)C(=O)N1CCCC1 748239403 HAUHMPKHHCQAQB-UHFFFAOYSA-N 305.338 -0.017 50 20 DBGD COCC(=O)NNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 755961254 ZPBCWMDERYARSQ-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 761796625 ZKMGXRLTMCTOGF-MXWKQRLJSA-N 310.354 -0.447 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1F 764211965 NTAKAJQTWVBLCB-UHFFFAOYSA-N 307.285 -0.655 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(C)nn(C)c1OC 772116600 VMKPXHURYJSWLD-QMMMGPOBSA-N 312.326 -0.160 50 20 DBGD Cc1[nH]nc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1O 778433893 URKYMJGWLVPVOE-UHFFFAOYSA-N 313.314 -0.291 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CN1CCN(C)C(=O)C1 780990177 LQJBTFBZPMRJSL-UHFFFAOYSA-N 320.349 -0.310 50 20 DBGD Cn1nncc1C(=O)NNC(=O)c1cc(Br)c[nH]1 798845766 PFYNGBFLBVHOQK-UHFFFAOYSA-N 313.115 -0.020 50 20 DBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)CC2 807379718 CAXYGAYOGWCYQZ-NSHDSACASA-N 321.385 -0.863 50 20 DBGD NS(=O)(=O)c1ccc(C=NNC(=O)Cc2cc[nH]n2)cc1 814954991 SMJKVMJMOJHPKQ-UHFFFAOYSA-N 307.335 -0.250 50 20 DBGD CCN(CCO)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 823860064 IVAVNSLAPCFSJT-CYBMUJFWSA-N 319.361 -0.149 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825770931 SNUAJJGNHNFLEA-RYUDHWBXSA-N 316.402 -0.290 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCn2cnnc2[C@@H]1C 827276283 ZLKLGXBHHDHDEZ-LPEHRKFASA-N 308.342 -0.180 50 20 DBGD CCN(CCNS(=O)(=O)CCl)S(=O)(=O)CCl 831187943 VQXIKUHWRIOPGC-UHFFFAOYSA-N 313.228 -0.050 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)nn1 831769120 FHVPTVYYSNPCAA-YUMQZZPRSA-N 323.309 -0.159 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)NC[C@H]1CNCCO1 842012240 WBRFSKRXSRZDQC-CYBMUJFWSA-N 306.366 -0.144 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)c1 842590994 UYAWZNXNGXSKKA-KWQFWETISA-N 315.351 -0.175 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)[C@@H]2CCCC[C@@H]2N1 854292018 VYEAWOIOUGGFDR-DCAQKATOSA-N 322.365 -0.893 50 20 DBGD C[C@]1(CNC(=O)C(=O)NCCC(=O)O)C[C@@H]1Br 857101626 ZSENMFRCOSTRDV-QUBYGPBYSA-N 307.144 -0.133 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCc3ncsc3C2)N1 858699533 SCPXNAYBFXAGCZ-QMMMGPOBSA-N 309.351 -0.479 50 20 DBGD Cn1nc(Br)cc1C=NNC(=O)[C@H]1CCC(=O)N1 863153363 SFRBZBPFCVKDRE-SSDOTTSWSA-N 314.143 -0.089 50 20 DBGD C[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N(C)C 873793045 UBGHITNLETUHRK-SECBINFHSA-N 317.349 -0.355 50 20 DBGD O=C(CN1CSCCSC1)NNC(=O)c1ncccn1 910914472 KZOBRQRBODKFQI-UHFFFAOYSA-N 313.408 -0.065 50 20 DBGD O=C(C[C@@H]1CCCCO1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116242724 ALNONIUKBZMKEI-ZJUUUORDSA-N 304.368 -0.472 50 20 DBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)Cc1ccncc1 1116427969 SZQKJFGIUMPSHP-UHFFFAOYSA-N 304.266 -0.273 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ncc(OC)cn1 1117712943 MMLJFXNVGZZPJB-UHFFFAOYSA-N 309.326 -0.449 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)C[C@H]3CCCC(=O)N3)nc21 1261179335 HYBKGMOLRDBCAQ-SSDOTTSWSA-N 319.325 -0.429 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)CN1 1317913710 RLJQREMBIDRJFV-MRVPVSSYSA-N 305.338 -0.424 50 20 DBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)N(C)C 1322108588 DTGXIHMNYIKYLT-UHFFFAOYSA-N 300.340 -0.442 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(-c2ncco2)cc1 1325520272 WVOGFFOBCUFCEW-UHFFFAOYSA-N 304.262 -0.580 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C1CC1)N[C@@H]1CCS(=O)(=O)C1 1340020816 MYOWLWLFLPIMFH-KXUCPTDWSA-N 301.368 -0.450 50 20 DBGD O=C(NCc1noc2c1CCCC2)NNC(=O)C(=O)NC1CC1 1346706676 JJSIDQITJXZUCJ-UHFFFAOYSA-N 321.337 -0.338 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C 1350516581 WOFWSUWUXTXZDS-UHFFFAOYSA-N 307.232 -0.065 50 20 DBGD Cc1ccn(C[C@H](C)C(=O)NN(C)C(=O)N2CCNCC2)n1 1579810676 IQMSOPCGLKQCOW-NSHDSACASA-N 308.386 -0.184 50 20 DBGD Cn1cc(Br)cc1C(=O)NNC(=O)C[C@H](O)CN 1579959928 UVCNANGCCPTAJA-ZETCQYMHSA-N 319.159 -0.742 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 1593908242 GEJLXXAGTHATMW-OIBJUYFYSA-N 314.269 -0.160 50 20 DBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1O 266989117 GZUGLCJEMYWKKZ-QMMMGPOBSA-N 300.336 -0.166 50 20 DBGD CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cccc(B(O)O)c1 584973980 LHNRNZPFPFPMSM-ZDUSSCGKSA-N 304.155 -0.551 50 20 DBGD O=C(Nc1ccn(C[C@@H]2CCOC2)n1)c1cccc(B(O)O)c1 584991497 ZOHLMSRZUFCVFO-NSHDSACASA-N 315.138 -0.148 50 20 DBGD COCC(=O)N1CCC(NCc2ccccc2B(O)O)CC1 585023071 CHKOTMJYVDRJCW-UHFFFAOYSA-N 306.171 -0.907 50 20 DBGD COCCNC(=O)[C@H](CC(C)C)NCc1ccc(B(O)O)o1 585032297 SGUIBNSTNMOIEW-LBPRGKRZSA-N 312.175 -0.774 50 20 DBGD CC(=O)NC(C)(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 726750812 WQWVQZFLWTUYEN-LBPRGKRZSA-N 321.333 -0.112 50 20 DBGD COCCC1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 760311643 UQSYVHCPQZLGAH-JTQLQIEISA-N 318.395 -0.225 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H]2CCCS2(=O)=O)n1 767174972 VGAXCPKHWSIWGJ-MRVPVSSYSA-N 315.355 -0.312 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)c1cccnc1 771603003 VVVULDWGNQJPFF-UHFFFAOYSA-N 314.301 -0.022 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN[C@@H](CO)C2CC2)cc1 771809154 RRRNXTWPDNVELG-ZDUSSCGKSA-N 302.334 -0.320 50 20 DBGD CNC(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 773846438 DUHOFTVAGNRCNU-UHFFFAOYSA-N 322.293 -0.797 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNc2cccnn2)O1 774777349 WNNAMROPHAQSQY-VHSXEESVSA-N 308.342 -0.262 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 788141138 UTCFPQYPDYTCIR-ZDUSSCGKSA-N 319.317 -0.548 50 20 DBGD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)Cc1cccnc1 799369978 SYQAGNHPENZBQW-JOYOIKCWSA-N 305.338 -0.521 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1CCc2nnn(C)c2C1 811073484 ADWDSDWWURFJIR-QMMMGPOBSA-N 303.326 -0.138 50 20 DBGD O=C(NCC1CC(F)(F)C1)NNC(=O)C(=O)N1CCCC1 813770890 MOYPZAAZOYCUSD-UHFFFAOYSA-N 304.297 -0.016 50 20 DBGD O=C(O)C[C@H]1CCCN(C(=O)NNC(=O)[C@H]2COCCO2)C1 819365042 MPHOKSSVCQSZCA-NXEZZACHSA-N 315.326 -0.671 50 20 DBGD CC(C)C(=O)NCCNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825582867 GRUPQMAFPLSCBL-ZJUUUORDSA-N 300.359 -0.486 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC[C@@H](CC(N)=O)C1 827289656 UQOZUMSBIKPGLD-DCAQKATOSA-N 312.370 -0.260 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H](O)C1CCOCC1 827298426 IPYFWOVBXRMXEE-MVWJERBFSA-N 315.370 -0.471 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@H](O)C1CCOCC1 827298427 IPYFWOVBXRMXEE-WCQGTBRESA-N 315.370 -0.471 50 20 DBGD CCOCC(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 827369697 JKCMXODLECHBMB-SECBINFHSA-N 300.359 -0.247 50 20 DBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2ncccn2)C1 841676069 LQWMDFUCOIALHF-NXEZZACHSA-N 313.383 -0.066 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)N2CCOCC2)n1 847403448 VNWPNLBGPSKVTQ-UHFFFAOYSA-N 310.358 -0.869 50 20 DBGD CCC1CCN(S(=O)(=O)NNC(=O)NCC(=O)OC)CC1 849308760 VOLHNPRHNHBMML-UHFFFAOYSA-N 322.387 -0.670 50 20 DBGD Cn1cnc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n1 855834347 RGYZRTXPASWWKQ-UHFFFAOYSA-N 310.358 -0.481 50 20 DBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1cccc(Cl)n1 857323648 UISLURAWUFBKIZ-NSHDSACASA-N 323.784 -0.114 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CS(C)(=O)=O)N1CCCCC1 863460082 MCIYGLSYOOQXEB-GFCCVEGCSA-N 319.427 -0.311 50 20 DBGD Cn1cc(C[C@@H](CO)NS(=O)(=O)CBr)cn1 867418257 GVQWUTNBSIAYSH-QMMMGPOBSA-N 312.189 -0.405 50 20 DBGD COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)CBr 867886940 OOXMHCYYUWXAMQ-PHDIDXHHSA-N 302.146 -0.723 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccc(C(F)(F)F)nn2)C1=O 901201785 UTFTVOVZLFUOFG-MRVPVSSYSA-N 319.243 -0.204 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 915894668 MYSFRSSFHVTCIG-UHFFFAOYSA-N 309.282 -0.325 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)nn1 1116432353 CNZCCBMPZALYHN-VIFPVBQESA-N 312.351 -0.711 50 20 DBGD COc1ccc(NNC(=O)C(=O)Nc2cc(OC)ncn2)nc1 1116713052 DRUYXENSKUIBCD-UHFFFAOYSA-N 318.293 -0.029 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1 1116874981 XWZGDYDJMRGRPU-SNVBAGLBSA-N 310.331 -0.549 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)NCC(F)(F)F)c1C 1116909966 PYSOZPHKSHSMCX-UHFFFAOYSA-N 321.259 -0.097 50 20 DBGD CCCNC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 1118273999 DVGYHZASLBKRQC-UHFFFAOYSA-N 314.367 -0.295 50 20 DBGD CC(=O)Nc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)ccc1F 1118884863 RYGJFOOWHXWGJU-SNVBAGLBSA-N 322.296 -0.176 50 20 DBGD CSCCNC(=S)NNC(=O)c1cccc(=O)n1C 1254039943 LCIFMNVACZOXET-UHFFFAOYSA-N 300.409 -0.143 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)CSCC(N)=O)c1 1254210784 AGRNNAUMXHZULC-UHFFFAOYSA-N 317.392 -0.248 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CCO)c(OC)c1 1254905664 QSFSROLMQQYKTE-UHFFFAOYSA-N 311.294 -0.828 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cncc(F)c1 1261461086 YONQEFQXFCAQAT-GMSGAONNSA-N 310.285 -0.268 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccc(=O)n(C)n1 1317716411 GLIPEQDPDCKJQU-UHFFFAOYSA-N 313.383 -0.732 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)nc2)cn1 1318556940 GHSARKAVIIBDOH-UHFFFAOYSA-N 306.307 -0.690 50 20 DBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(C)=O)c(C)c1 1320349312 ZHUWYQAIYALXEA-UHFFFAOYSA-N 323.305 -0.347 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1COc2ccccc2C1 1323433490 PPIBKJXVRZFFMA-SECBINFHSA-N 307.306 -0.259 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 1326054036 PSGDMGFCPGMXGI-VIFPVBQESA-N 310.358 -0.713 50 20 DBGD CC(C)[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 1330029891 WVJFJWLQFYSAFV-AXFHLTTASA-N 312.370 -0.201 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1OC 1342607245 MAWLRLITMMOGIA-UHFFFAOYSA-N 311.294 -0.828 50 20 DBGD C=C[C@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1588498543 BGHZSGIWVOPLIX-ZDUSSCGKSA-N 302.294 -0.435 50 20 DBGD O=C(NCCn1c(O)nc2ccccc21)NNC(=O)C(=O)O 1601516365 WBUYBTMDCWHUOC-UHFFFAOYSA-N 307.266 -0.843 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 42474618 JNZBZXRUEQWQIG-UHFFFAOYSA-N 323.305 -0.035 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)N(C)C 140699607 QDPAIGSGDCHTMC-VIFPVBQESA-N 303.322 -0.021 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1cccnn1 265562119 TYDBMXDPYYZUHZ-WTTBSCSTSA-N 313.317 -0.273 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCSC1 266741246 LXVISRKSPMOJNH-QMMMGPOBSA-N 312.351 -0.155 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1nnc(C2CC2)s1 273626467 PHJMPPXOIPYHOX-RXMQYKEDSA-N 305.385 -0.204 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(C)s1 275911934 OSFGPVAMGNHSDD-UHFFFAOYSA-N 320.396 -0.450 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@](C)(O)C1CC1 497245328 SKHHWHPINWIVGV-ZDUSSCGKSA-N 301.343 -0.181 50 20 DBGD CNC(=O)[C@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 584964988 NBLHNKPVXRQVQV-GFCCVEGCSA-N 308.118 -0.754 50 20 DBGD CN1CC[C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@@H]21 584971291 OIHDRQDLWYAVIG-HZMBPMFUSA-N 306.146 -0.328 50 20 DBGD CCCCCN(CC(N)=O)C(=O)c1cc(B(O)O)ccc1F 584971910 HUAIAXZJQFSUGC-UHFFFAOYSA-N 310.134 -0.377 50 20 DBGD CS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584974076 DTPSGLUIUVCXHG-LBPRGKRZSA-N 311.168 -0.984 50 20 DBGD CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(B(O)O)cc1 584974099 MJLFWGIWMCAUST-JTQLQIEISA-N 305.061 -0.248 50 20 DBGD C[C@@]1(C(=O)N2CC[C@@H](B(O)O)C2)Oc2ccccc2NC1=O 585065832 GWLZSDYJCVGHOR-YMTOWFKASA-N 304.111 -0.149 50 20 DBGD CC(C)(C)CC(=O)NNC(=S)NCCNS(C)(=O)=O 728445130 FXJNSRMLCJVUOB-UHFFFAOYSA-N 310.445 -0.533 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=S)NC[C@H]1CCOC1 749722370 UBMZHJAOYGMXNA-SECBINFHSA-N 316.427 -0.177 50 20 DBGD Cc1cccc2c(=O)n(CC(=O)NNC(=O)C(C)(C)O)cnc12 768262144 UBWKCFXURVQGAA-UHFFFAOYSA-N 318.333 -0.377 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)c2cccnc2)cn1 770548855 HUZVSOYSLVIFMS-UHFFFAOYSA-N 301.262 -0.267 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 784995118 WLGCXFKWOFPVJW-VIFPVBQESA-N 305.290 -0.203 50 20 DBGD COc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1O 785414938 BYIYOSPBEYZGTF-UHFFFAOYSA-N 307.306 -0.216 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2CCCC2=O)c(O)c1 789857547 WZKVQBFNTYQLLD-UHFFFAOYSA-N 307.306 -0.216 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@H]1C)CC2 826115029 ZZTVJBZIDWJCSM-GDPRMGEGSA-N 322.369 -0.343 50 20 DBGD CCC[C@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)OC 838640236 MPFTVTFHQWIAQR-SNVBAGLBSA-N 300.359 -0.246 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 855095995 ROYNZKKXVWTGDG-SCZZXKLOSA-N 323.426 -0.081 50 20 DBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 862452243 UXUHLCFBLQNHCY-PSASIEDQSA-N 314.342 -0.817 50 20 DBGD OB(O)c1ccccc1CNC[C@@H](n1cncn1)C(F)(F)F 877675870 VBLTWZJSTYIWIX-LLVKDONJSA-N 314.076 -0.149 50 20 DBGD C#CCSCC(=O)NNC(=O)CNC(=O)c1cccs1 888677871 HLDNJEIOYFSINS-UHFFFAOYSA-N 311.388 -0.008 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC(=O)NC[C@H]1c1ccccc1 933321137 AEYKWTJWKORGKY-ZDUSSCGKSA-N 318.377 -0.037 50 20 DBGD Cc1ocnc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1116480268 UCXUJRDCYRJCHP-LLVKDONJSA-N 302.356 -0.136 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=S)Nc1ccccn1 1123976439 YPPDVKSFCKUFTH-QWRGUYRKSA-N 320.422 -0.213 50 20 DBGD CC(=O)Nc1cccc(CC(=O)NNC(=O)C(=O)NC2CC2)c1 1261439692 SVFGXPMHNGSRHZ-UHFFFAOYSA-N 318.333 -0.387 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cs1 1317913990 WCTGOLYUDASGAG-QMMMGPOBSA-N 317.392 -0.424 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 1320379056 NJBKSIIODFQSKZ-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD C[C@H](C(=O)NNc1ccc(-n2ccnc2)nn1)S(C)(=O)=O 1320981828 MVXCCMWUQNTZMN-MRVPVSSYSA-N 310.339 -0.462 50 20 DBGD O=C(/C=C/C1CCOCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1322753099 SYDCBMJHYWQKQY-GXFZAYBSSA-N 316.379 -0.449 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nc2ccccc2n1C 1324651255 GRNHHFNKUYDRMQ-UHFFFAOYSA-N 305.294 -0.423 50 20 DBGD C=CCn1cc(C(=O)NNC(=O)C(=O)NC(CC)CC)nn1 1326652847 GDWMVVJRZDGGHQ-UHFFFAOYSA-N 308.342 -0.470 50 20 DBGD Cc1ccccc1OCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1328690727 XSICERVGYMRKRM-LLVKDONJSA-N 320.349 -0.017 50 20 DBGD CCn1ncc(Cl)c1C(=O)NNC(=O)CS(C)(=O)=O 1329588370 IZTKIWCXABWFHL-UHFFFAOYSA-N 308.747 -0.638 50 20 DBGD C[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1cnn(C)c1 1330236931 OPIHDRSPYCRYJC-SKDRFNHKSA-N 315.399 -0.138 50 20 DBGD CCc1cnc(O)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1331316655 BHTGJBPQXBANJL-UHFFFAOYSA-N 306.322 -0.267 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)S(C)(=O)=O 1333607410 VETDLSJVEOPOER-ZETCQYMHSA-N 318.330 -0.402 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccc(NC(C)=O)c1 1339817006 FQRKFEDJHJOLHR-UHFFFAOYSA-N 308.294 -0.352 50 20 DBGD COc1ccnc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)n1 1549317205 WKCRGJGHFJEIIX-WDEREUQCSA-N 305.338 -0.202 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 1590338477 RRCICXCFFJSCIA-APPZFPTMSA-N 319.325 -0.609 50 20 DBGD CC(=O)NNC(=O)/C(C#N)=C/c1cc(-c2nn[nH]n2)n(C)c1C 1602948556 FSGBHAFSMBTDFN-ONNFQVAWSA-N 314.309 -0.412 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1F 1604505214 RBEPPBMNQGUTBE-UHFFFAOYSA-N 313.241 -0.744 50 20 DBGD N=C(N)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Cl)C2 1795982841 SDQFFJKSGCNWDE-ODHVRURNSA-N 319.768 -0.358 50 20 DBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)OC)n[nH]c1C 48652868 KSKHFGVQDBSWHD-UHFFFAOYSA-N 306.300 -0.556 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cn1 267524685 WJFHPACKIGWGHK-SNVBAGLBSA-N 322.369 -0.237 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSc1ccccc1O 270654902 AZJANVBFNUMZCP-UHFFFAOYSA-N 318.376 -0.324 50 20 DBGD COC(=O)N(C)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 286448718 SFVZVSVXIPXHKO-UHFFFAOYSA-N 318.330 -0.643 50 20 DBGD C[C@@H](O)CN(C)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 291371224 ZWLARHSEPMSODJ-SECBINFHSA-N 310.310 -0.332 50 20 DBGD C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1ccc2c(c1)OCO2 291967553 HOXMUUCUMPUMQH-MRVPVSSYSA-N 319.317 -0.055 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)COc1ccc(C)cc1 292355980 FLYICMYJVCZXDF-UHFFFAOYSA-N 308.338 -0.160 50 20 DBGD CNC(=O)NNC(=O)COC1CN(C(=O)OC(C)(C)C)C1 492863774 HFLZWFHAGJCPQH-UHFFFAOYSA-N 302.331 -0.418 50 20 DBGD CCO[C@H](C)c1noc(CNC(=O)c2ccc(B(O)O)cc2)n1 584950671 GPYOXABLADHAGD-SECBINFHSA-N 319.126 -0.223 50 20 DBGD O=C(NCC1(CCO)CCOCC1)c1ccc(B(O)O)cc1 584960017 NPDBFDDQELCIGJ-UHFFFAOYSA-N 307.155 -0.725 50 20 DBGD OC[C@@H]1CCCCN1c1cc(N2CC[C@@H](B(O)O)C2)ncn1 585078926 PQXBNKUAHXFMEN-NEPJUHHUSA-N 306.175 -0.119 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)Cc2cc[nH]n2)ccn1 755267927 DOAIBGKJMGAQLE-UHFFFAOYSA-N 303.278 -0.405 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnc(N(C)C)s1 755698067 IAVUYBLXPKGASD-SSDOTTSWSA-N 319.412 -0.403 50 20 DBGD NC(=O)c1ccc(NNC(=O)CNC(=O)c2cccs2)nn1 757403852 GRYZWYJLUYZVCW-UHFFFAOYSA-N 320.334 -0.490 50 20 DBGD CCOC(=O)C(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 762456554 UFOXKEUXIOJECA-QMMMGPOBSA-N 320.367 -0.842 50 20 DBGD O=C(NNS(=O)(=O)N1CCOCC1)c1ccc(Cl)nc1 765056160 MFSPLOMPHWMJLU-UHFFFAOYSA-N 320.758 -0.454 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)c1cnn(C)n1 806365380 MUCMAJKNWIYDHI-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD CN1CCN(C(=O)NNC(=O)C2(C(=O)NC3CC3)CC2)CC1 807381682 DPMKHAOVTQZYKX-UHFFFAOYSA-N 309.370 -0.967 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 852394725 WKOXECOGLFZUJO-DTWKUNHWSA-N 302.331 -0.560 50 20 DBGD CS(=O)(=O)N1CCN(CC(=O)NCCCSC#N)CC1 854361979 UZFIDFYMHMYSCK-UHFFFAOYSA-N 320.440 -0.716 50 20 DBGD CCN1CCCC[C@H]1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858211625 FCFFHJJVGPNGQT-WDEREUQCSA-N 311.386 -0.530 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)CN1C1CC1 858289228 WIPJTHFBVITVGL-WCABBAIRSA-N 309.370 -0.779 50 20 DBGD C[C@H](Sc1ccccn1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456083 MCVUPUCWFXXHGP-IUCAKERBSA-N 308.363 -0.012 50 20 DBGD CS(=O)(=O)CCN(C(=O)c1ccc(B(O)O)cc1)C1CC1 863878263 ONHYUMZVYOIVRM-UHFFFAOYSA-N 311.168 -0.984 50 20 DBGD O=C(NC1CCN(CC(F)F)CC1)c1ccc(B(O)O)cc1 865059374 VGNLZQIMGSDFDH-UHFFFAOYSA-N 312.125 -0.174 50 20 DBGD C[C@@]1(C(=O)N2CCN(C(=O)CO)CC2)C[C@@H]1Br 907147305 VAPSMTYYTQGYBX-GZMMTYOYSA-N 305.172 -0.177 50 20 DBGD CS(=O)(=O)N1CC(C(=O)NNc2ncc(F)cc2F)C1 909546257 XVBGPDNOEAIQEJ-UHFFFAOYSA-N 306.294 -0.306 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 910180589 NOVILXOKDSFJDW-FIQHERPVSA-N 311.382 -0.106 50 20 DBGD COCc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)C1CCC1)CC2 1116256567 LFDSMDZLWJNTST-JTQLQIEISA-N 322.369 -0.130 50 20 DBGD COCCONC(=O)NNC(=O)c1nnc(O)c2ccccc12 1116841767 OJWVOKNYAQPQTB-UHFFFAOYSA-N 321.293 -0.143 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccc(C(N)=O)[nH]1 1118851596 CMONZSZZQJIPRN-UHFFFAOYSA-N 301.397 -0.415 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2COc3ccc(F)cc3C2)N1 1118970599 PMEQVSMHOCSIML-KOLCDFICSA-N 321.308 -0.197 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1261826908 FWYYUTMNQIKWRT-YIZRAAEISA-N 318.399 -0.651 50 20 DBGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)C2CCC2)ccc1F 1320232574 NKHIXYFVYDFSHV-UHFFFAOYSA-N 322.296 -0.189 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCc2nc(C)ncc2C1 1322254338 RJOFZIJFTQEETQ-VIFPVBQESA-N 307.310 -0.854 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C 1323941334 PIQMCLGQUGXTJQ-UHFFFAOYSA-N 318.333 -0.007 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCC(=O)O 1573389905 GKMZQEUXDDVRTM-UHFFFAOYSA-N 316.358 -0.266 50 20 DBGD NCCNC(=O)NNC(=O)c1cccc2c1OC(F)(F)O2 1580312414 KEUBIKMFQPVHNI-UHFFFAOYSA-N 302.237 -0.089 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@]2(C(=O)O)CC=CCC2)ccc1=O 1594530419 SCBNZWPYCUBVEF-OAHLLOKOSA-N 319.317 -0.043 50 20 DBGD O=C(O)C1=NO[C@H](C(=O)NN=c2cc[nH]c3cccnc23)C1 1594888340 CJUYNYBRBDLXOI-JTQLQIEISA-N 301.262 -0.276 50 20 DBGD CNC[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1604892035 KBCLEQDYNAUHDC-QMMMGPOBSA-N 318.341 -0.581 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)[C@@H]1COc2ccccc2O1 1608478997 FOYDBTRFGGKXPE-RNSXUZJQSA-N 306.274 -0.306 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1OC 64940093 ZJENJWRTMWNNDH-UHFFFAOYSA-N 317.323 -0.094 50 20 DBGD C[C@H](C(=O)NNC(=O)CN(C)C)n1nnc(-c2ccccc2)n1 175945246 KGOKFWOETCYIJA-SNVBAGLBSA-N 317.353 -0.390 50 20 DBGD C[C@@H](CBr)CN1CCN2C(=O)C(=O)NC[C@H]2C1 248704121 LLRARLYBTQNHNK-IUCAKERBSA-N 304.188 -0.340 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc2c(c1)nnn2C 264247517 MOVKWRNEHQQMKW-UHFFFAOYSA-N 306.326 -0.051 50 20 DBGD O=C(C[C@H]1CSCCS1)NNC(=O)C(=O)N1CCCC1 269753885 SNDMGHJERLGKTE-VIFPVBQESA-N 317.436 -0.005 50 20 DBGD COC(=O)N[C@@H](C)C(=O)NNc1nccc(N2CCOCC2)n1 270530929 DZVZXYWESJFBKB-VIFPVBQESA-N 324.341 -0.499 50 20 DBGD CCCCn1nccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCCO1 293462960 SUAWBDKZRISOBZ-JTQLQIEISA-N 323.353 -0.052 50 20 DBGD N#CCCN(C(=O)c1cccc(B(O)O)c1)C1CCOCC1 584943732 MSXQSXZPEAGCMV-UHFFFAOYSA-N 302.139 -0.099 50 20 DBGD CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(B(O)O)cc4)[C@@H]1[C@H]3C2 584988476 OPYDGKMJXAICKA-WPTOEGHWSA-N 301.151 -0.138 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)cc1)C(=O)NCc1ccco1 585032184 CLDVOLFZIOGZLW-LLVKDONJSA-N 302.139 -0.246 50 20 DBGD CCN(C)C(=O)c1cccc(S(=O)(=O)NCB(O)O)c1 585059306 IRXAJLABUYMQPW-UHFFFAOYSA-N 300.145 -0.931 50 20 DBGD COCCOc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 732051979 FSPPKMKBZIQHNQ-UHFFFAOYSA-N 323.349 -0.003 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 735444073 AFMADXUZLJJUEF-UHFFFAOYSA-N 307.270 -0.624 50 20 DBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)C(C)(C)C 747907525 PJJOLNBLHSEQGI-UHFFFAOYSA-N 323.415 -0.476 50 20 DBGD Cn1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O 748001778 INPUENRXNFBNNY-UHFFFAOYSA-N 319.277 -0.251 50 20 DBGD NC(=O)C1(NCC(=O)NNC(=O)c2cccc(Cl)c2)CC1 754247241 VBOZNFPTBCNTPS-UHFFFAOYSA-N 310.741 -0.292 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)c(F)c1 758868894 XGGOWPDJWOAZSP-UHFFFAOYSA-N 324.312 -0.057 50 20 DBGD O=C(COC(=O)CN1CCOCC1)NNC(=O)c1ccccc1 778850290 GGRFXDBMCMPLHT-UHFFFAOYSA-N 321.333 -0.677 50 20 DBGD O=C(NN=c1cc[nH]cc1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 779836576 YGKALBJITSCXPM-QWHCGFSZSA-N 313.317 -0.083 50 20 DBGD NC(=O)c1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)cc1 792596956 JGIBANRCJUHGPP-UHFFFAOYSA-N 318.333 -0.902 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 802027938 COBPCHLUBMSHTC-SNVBAGLBSA-N 321.337 -0.849 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)N=c1cc[nH]cc1 802034876 JKVLQHVPRTXWHW-NSHDSACASA-N 307.354 -0.376 50 20 DBGD CN(NC(=O)c1cnn(C)c1I)C(N)=O 815900769 QDSNRFHEAFLSAA-UHFFFAOYSA-N 323.094 -0.320 50 20 DBGD C[C@H]1SCC[C@@H]1NC(=O)NNC(=O)C(=O)N1CCCC1 828541878 KKDPBCYVLYNBFI-BDAKNGLRSA-N 300.384 -0.167 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1sccc1-n1cnnn1 843647142 RVTJQHPMHDMAPU-YUMQZZPRSA-N 322.350 -0.090 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 844136519 DUDIURKLMDIACK-VIFPVBQESA-N 304.306 -0.672 50 20 DBGD CO[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)C(F)(F)F 845353823 HWJFYKZYNANVFV-SSDOTTSWSA-N 311.260 -0.276 50 20 DBGD CNC(=S)N(C)NC(=O)CCCS(=O)(=O)N1CCCC1 854925748 LTKRCBQBXNCFKE-UHFFFAOYSA-N 322.456 -0.341 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)NC[C@H]2COCCN2)c1 861681508 OVWKEGVHUMMMDZ-LBPRGKRZSA-N 321.381 -0.315 50 20 DBGD Cc1csc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)c1 862476201 LZZJMLPNWYBTBS-UHFFFAOYSA-N 310.335 -0.241 50 20 DBGD CCOc1cccc(CC(=O)NNC(=O)CS(C)(=O)=O)n1 863466184 NYISGKRYBXDGHJ-UHFFFAOYSA-N 315.351 -0.785 50 20 DBGD CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 863876147 OZABOCFEVLSGHL-VIFPVBQESA-N 311.118 -0.082 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)n1cc(CN2CCN(C)CC2)nn1 881294320 ZHERDUYPLJHOOM-LLVKDONJSA-N 323.401 -0.856 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)C(F)(F)C1(O)CCC1 913731783 VXGBGJAKWIGSGC-UHFFFAOYSA-N 305.281 -0.694 50 20 DBGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)C1CCC1 1116600160 RFXSKRBTMBAKCL-UHFFFAOYSA-N 306.322 -0.420 50 20 DBGD C[C@]1(NNC(=O)N[C@@H]2CCCOCC2)CCS(=O)(=O)C1 1320081883 WSDIEMLPDGNPSE-PWSUYJOCSA-N 305.400 -0.064 50 20 DBGD O=C(CSCC(=O)N1CC[C@H](B(O)O)C1)N1CCCCC1 1331825850 DEODVIMKUDMKQG-NSHDSACASA-N 314.216 -0.193 50 20 DBGD O=C(O)C[C@H](CNC(=O)NNC(=O)c1cccnn1)C1CC1 1601891097 HIRDUNWFWRNBSY-SECBINFHSA-N 307.310 -0.079 50 20 DBGD CO[C@@]1(C(=O)O)CCN(CC(=O)NNC(=O)c2ccccc2)C1 1606703827 SEGPGZFQJWLPLF-HNNXBMFYSA-N 321.333 -0.377 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1C(=O)O 1608116124 KQDCBJJDTQJPOM-UHFFFAOYSA-N 308.294 -0.391 50 20 DBGD O=C(CSc1nnc(O)nc1O)NN=Cc1cccnc1 254381580 PPMADQFAOILAQQ-UHFFFAOYSA-N 306.307 -0.080 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1cccc(C(=O)OC)c1 272802193 JKUUNIDVOPGUAM-UHFFFAOYSA-N 315.351 -0.144 50 20 DBGD CCOCC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 281629954 LGYHBLBGSMELKV-UHFFFAOYSA-N 309.322 -0.027 50 20 DBGD CC1=C(C(=O)NNC(=O)C(C)(C)O)[C@@H](C)n2ncnc2N1C 282542233 ZQCNHZSGKBGKRR-MRVPVSSYSA-N 308.342 -0.519 50 20 DBGD C#CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 490557033 VPPHJXWPLMCMBU-UHFFFAOYSA-N 324.362 -0.486 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 490879690 RXVZXFKDCIMJOE-HJWRWDBZSA-N 305.294 -0.108 50 20 DBGD COC(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 495407573 LXMLJYHTBSSGRU-UHFFFAOYSA-N 302.312 -0.911 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@H]1CC12CCS(=O)(=O)CC2 584914343 VFYZZXUAYQDMDV-GFCCVEGCSA-N 323.179 -0.480 50 20 DBGD C[C@H]1COCCN1C[C@@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584942030 QEFMJMZYTFIUES-MNOVXSKESA-N 324.161 -0.656 50 20 DBGD C[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)Cn1ccnc1 584951693 ZDFCYLWKMKIXCZ-JTQLQIEISA-N 305.118 -0.232 50 20 DBGD OB(O)c1ccc(CNCc2nc([C@H]3CCCO3)n[nH]2)c(F)c1 585045095 BFLKVWQFYRVRTI-GFCCVEGCSA-N 320.133 -0.235 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 729283104 OGPGYLQCCVVPFN-GXFFZTMASA-N 305.334 -0.075 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2ccccc2F)c(O)nc1=O 731328376 FEMQVBAMWOKQAV-UHFFFAOYSA-N 320.280 -0.371 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@@H]1CCS(=O)(=O)C1 732196551 AGYQBZBCEZCTTE-WDEREUQCSA-N 319.427 -0.313 50 20 DBGD COCCN(CC(=O)O)CC(=O)NNC(=O)c1ccc(C)cc1 737777752 NYHHGSSBYDPILC-UHFFFAOYSA-N 323.349 -0.211 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)NC1CCCC1 744059575 VHOJLZTVXSJROD-UHFFFAOYSA-N 311.342 -0.409 50 20 DBGD COCCOCc1cc(C(=O)NNC(=O)CO)ccc1F 753453047 WSGSPPLXUZEVGF-UHFFFAOYSA-N 300.286 -0.258 50 20 DBGD COC(=O)c1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)cn1C 757670646 CSYXGFAYBAJOER-UHFFFAOYSA-N 320.309 -0.070 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCNC2=O)cc1 759433067 HNEOJURYARZYAJ-LBPRGKRZSA-N 304.350 -0.424 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNc1ncc(F)cn1)n1cccn1 762095515 HLVIHTIXPMYASJ-VIFPVBQESA-N 321.316 -0.025 50 20 DBGD COc1c(F)cc(F)cc1NC(=O)C(=O)NNC(=O)CO 764422205 WQUAZGKAZRPMDJ-UHFFFAOYSA-N 303.221 -0.948 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 770248088 RMASDHGPFGYAEJ-QMMMGPOBSA-N 316.452 -0.144 50 20 DBGD CC1(C)OCC(C)(C(=O)NNC(=O)C(=O)N2CCCC2)CO1 775603990 KVJDGCQHRRABGO-UHFFFAOYSA-N 313.354 -0.455 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)N1CC[C@H](C)C1 777934852 YHKQPKWHCDWOKN-VIFPVBQESA-N 320.415 -0.501 50 20 DBGD COC(=O)Cn1cccc1C=NNC(=O)N1CCN(C)CC1 790180534 BBSBSXLMWSQMBH-UHFFFAOYSA-N 307.354 -0.048 50 20 DBGD CNC(=O)NCCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 795638525 NSGANBRQEBFHQO-SECBINFHSA-N 316.358 -0.569 50 20 DBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ncncc1F 817079076 HEAGEONEFBBSBC-QMMMGPOBSA-N 303.319 -0.517 50 20 DBGD COC(=O)[C@@H]1CN(C(=O)NNC(=O)c2ncccn2)C[C@H]1C 826978909 CBRGBCXFEZFAPK-RKDXNWHRSA-N 307.310 -0.428 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C(C#N)=C\c1cnn(C)c1 843970974 NWGLGXVLRHQSJX-UNXVVFDTSA-N 303.322 -0.101 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCc3ncncc3C2)CC1 844138072 UJDIJNNKSIHGSS-NSHDSACASA-N 318.381 -0.430 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1cccc(F)n1 846140493 VFAIJKOEPMHKPS-UHFFFAOYSA-N 305.335 -0.598 50 20 DBGD CC(=O)N[C@H](CC1CCC1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458375 DRVIPSIGWLXUGJ-WDEREUQCSA-N 310.354 -0.893 50 20 DBGD CC(C)(C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCC(O)CC1 862459863 YAVKYGQMSWFWFX-ILDUYXDCSA-N 311.382 -0.010 50 20 DBGD CC(C)(C(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCC(O)CC1 862459867 YAVKYGQMSWFWFX-VQXHTEKXSA-N 311.382 -0.010 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=S)NC[C@@H]2CCCCO2)N1 863203288 CZYKGKHVGSPUGA-DTWKUNHWSA-N 300.384 -0.671 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)CCc2cccs2)N1 863414225 XOSDYAHHNQKNMM-SECBINFHSA-N 317.392 -0.480 50 20 DBGD C[C@H]1CCCc2ncc(C(=O)NNC(=O)CS(C)(=O)=O)n21 863466811 BZAIQDLNIJMBRE-QMMMGPOBSA-N 314.367 -0.414 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CC1)OCCCO2 863883491 BWJOUZUOTQNIMU-UHFFFAOYSA-N 305.139 -0.264 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cs1 864231437 MZVQYDSQRVDRRV-SSDOTTSWSA-N 319.169 -0.228 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@@H]2CCCN(CC(F)F)C2)N1 869385577 OGULDYBQFHYVIO-BDAKNGLRSA-N 318.324 -0.611 50 20 DBGD C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)c1cccc(B(O)O)c1 912007178 MONSKLVRSJJOLQ-OUAUKWLOSA-N 304.155 -0.554 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 1116618153 KHTNIESZTFPHJB-UHFFFAOYSA-N 316.321 -0.010 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)n1 1116865771 RSDFBZGQMPGVRU-GXSJLCMTSA-N 321.337 -0.633 50 20 DBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1CCCCO1 1122097533 QIEQPSJPEJNFGX-VHSXEESVSA-N 300.359 -0.199 50 20 DBGD COCCOc1cncc(C(=O)NNC(=O)C(=O)NC(C)C)c1 1256639575 WMHIUNGIMTVRKV-UHFFFAOYSA-N 324.337 -0.608 50 20 DBGD O=C(NNC(=O)c1ccc[nH]1)N[C@@H]1CCCS(=O)(=O)C1 1325375451 KLSGNGKKYLVRDA-MRVPVSSYSA-N 300.340 -0.464 50 20 DBGD Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331518031 BJMICDMDGSHRCK-OIBJUYFYSA-N 308.342 -0.601 50 20 DBGD COCCOCC(=O)NN=C(C)C1CCS(=O)(=O)CC1 1332318232 KRVUMKGJMSTYDN-UHFFFAOYSA-N 306.384 -0.034 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1c(C)cc(C)nc1OC 1339818987 QHVDQFCXIMSWCX-UHFFFAOYSA-N 310.310 -0.290 50 20 DBGD COc1ccnc(NNC(=O)NC[C@H](C)N2CCN(C)CC2)n1 1352232587 VYOBBBIGABDSLX-NSHDSACASA-N 323.401 -0.253 50 20 DBGD CC(=NNC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1cc(CO)on1 1549319945 JQFGJAUWIDNDTR-ZWNOBZJWSA-N 308.338 -0.130 50 20 DBGD CN(N)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1573877223 JGOJAYHTYJAUHG-HBNTYKKESA-N 317.411 -0.572 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1OCC[C@H]1N 1575098653 LXMBLBLHWYAYQC-KOLCDFICSA-N 314.386 -0.808 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1(C)CNC1 1575222717 CXYDJLMFTIASCO-UHFFFAOYSA-N 315.374 -0.549 50 20 DBGD CC(C)n1cnc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 1592145652 RDIFMJSMBDJJJF-UHFFFAOYSA-N 305.316 -0.959 50 20 DBGD Nc1ccnc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1 1592760658 PIOCROMIHBIZPP-UHFFFAOYSA-N 324.304 -0.081 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1ccsc1-c1nn[nH]n1 1593158364 RSPUSMUKRNPADH-ZETCQYMHSA-N 324.322 -0.895 50 20 DBGD CC[S@](=O)CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604476441 UAXLGBHDBKHYKR-QFIPXVFZSA-N 324.370 -0.344 50 20 DBGD CC(C)(CS(=O)(=O)NNC(=O)c1ccccn1)C(=O)O 1609678120 SMNJENLXNVTEML-UHFFFAOYSA-N 301.324 -0.243 50 20 DBGD COCCCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])cn1 139592942 GQQSYZLXATVLOI-UHFFFAOYSA-N 300.275 -0.842 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)COc2ccc(F)cc2)CC1=O 267489737 JPXZAHQEGPEJTH-SNVBAGLBSA-N 324.312 -0.234 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)COCc1ccccc1 270337268 PEOFABGSBPAKOT-UHFFFAOYSA-N 323.349 -0.545 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2C(=O)CN(C)C2=O)nc1 270379642 OOFKLSNYEYRRFC-UHFFFAOYSA-N 321.293 -0.795 50 20 DBGD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NNC(=O)CN(C)C 274050403 IQFXQWRNOIEPOI-UHFFFAOYSA-N 323.309 -0.449 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 298191808 HNOCNGYSEAIUCG-HNNXBMFYSA-N 316.317 -0.453 50 20 DBGD CSSCCNC(=O)N1CCN(C(=O)C(=O)O)CC1 397908529 YRFQHFJHYCXDNF-UHFFFAOYSA-N 307.397 -0.064 50 20 DBGD C[C@H](CCN1CCOCC1)NC(=O)c1cc(B(O)O)ccc1F 584944791 NDSYQDPNFRUREI-LLVKDONJSA-N 324.161 -0.654 50 20 DBGD CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584992233 ISCVEIGTUBPSFR-SNVBAGLBSA-N 308.118 -0.896 50 20 DBGD CC1(C)CCN(C(=O)c2ccc(B(O)O)cc2)CC[S@@]1=O 584996784 PPYMCBWIZWPSAQ-NRFANRHFSA-N 309.196 -0.260 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N(CC1CC(O)C1)C1CC1 584997978 MSNHYWYVFJJYSD-UHFFFAOYSA-N 307.130 -0.119 50 20 DBGD O=C(N[C@@H](C1CC1)[C@H](CO)C1CC1)c1ccc(B(O)O)cc1 584998569 RISJEKHLPNNUEB-CABCVRRESA-N 303.167 -0.107 50 20 DBGD CCCS(=O)(=O)c1ccc(S(=O)(=O)NCB(O)O)cc1 585059689 XARSULZHKIBYPA-UHFFFAOYSA-N 321.185 -0.839 50 20 DBGD C[C@@H](C(=O)NCB(O)O)n1c(S)nnc1-c1cccs1 585060957 MIIWPZBISMYSSO-LURJTMIESA-N 312.185 -0.016 50 20 DBGD Cc1nn(C)c(N2CCOCC2)c1CN1CC[C@@H](B(O)O)C1 585076738 NZSDAOZLHKYTQQ-GFCCVEGCSA-N 308.191 -0.386 50 20 DBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)NC)CC1=O 733138652 HSCXLEJWKRJYAV-WDEREUQCSA-N 311.386 -0.721 50 20 DBGD CCCN1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749561887 HSASFZILRHCCDS-MNOVXSKESA-N 317.411 -0.557 50 20 DBGD CNC(=O)Cn1cc(NC(=O)NNC(=O)c2cc(C)[nH]n2)cn1 757867765 XFUAUMGNEJTTQU-UHFFFAOYSA-N 320.313 -0.873 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 764325297 IJDDVXGTSDGHDD-UHFFFAOYSA-N 320.349 -0.199 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 764429662 VCUAWSWICXONOA-UHFFFAOYSA-N 305.290 -0.716 50 20 DBGD CCS(=O)(=O)CCn1cc(C)c(NC(=O)NNC(C)=O)n1 786743175 KCXDIFUZPNEQDO-UHFFFAOYSA-N 317.371 -0.201 50 20 DBGD Cc1nn[nH]c1C(=O)OCC(=O)NNC(=O)c1cccs1 805547441 HBLOPDQFRUIFTO-UHFFFAOYSA-N 309.307 -0.207 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1cnn(C)c1 808092826 DNFSLLRTORZMQH-UHFFFAOYSA-N 318.355 -0.817 50 20 DBGD C[C@](C#N)(CC(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 819849273 YLQOTQGTQMOMIF-CYBMUJFWSA-N 319.277 -0.828 50 20 DBGD O=C(COc1ccc(CO)cc1)NNC(=O)N1CCOCC1 824621948 ZSQNJVHCNYADDD-UHFFFAOYSA-N 309.322 -0.369 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 847856815 UBJFPRBHQINPMU-INIZCTEOSA-N 319.361 -0.247 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 855828622 GZWOXRBIOUUCDH-SECBINFHSA-N 312.370 -0.645 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2ccccc2F)N1 858089198 JXSYOWACZXILIP-LLVKDONJSA-N 308.313 -0.023 50 20 DBGD C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCO1 858358794 SBBUAUVDWGRTTF-OUAUKWLOSA-N 312.370 -0.199 50 20 DBGD Cn1cc(N2C[C@@H](C(=O)NNC(=O)NC3CC3)CC2=O)cn1 858778725 TXAROHKSXCXISH-QMMMGPOBSA-N 306.326 -0.734 50 20 DBGD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCCCl)C1 882008722 RQWVNEBDASXKDE-QMMMGPOBSA-N 304.821 -0.431 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NN(C)C[C@H](C)O)c1 910174700 HVWVUBNOYZFTFV-JTQLQIEISA-N 315.395 -0.139 50 20 DBGD COc1ncccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 912506976 RFFGRNCIHGLDRU-MRVPVSSYSA-N 313.335 -0.714 50 20 DBGD Cn1ccc(NNC(=O)CC2CCN(S(C)(=O)=O)CC2)n1 1118322496 GZADIIYZCWUCTK-UHFFFAOYSA-N 315.399 -0.075 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N[C@H](CC(N)=O)C1CCOCC1 1320221875 ZSGDMITWPNYQAS-GXSJLCMTSA-N 314.386 -0.808 50 20 DBGD COC1(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCOCC1 1321134421 BBZKKRCRSIISNK-SNVBAGLBSA-N 304.368 -0.281 50 20 DBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1nc[nH]n1 1323393372 ZJZFCVIYIJOXDQ-UHFFFAOYSA-N 322.712 -0.465 50 20 DBGD C[C@]1(NNC(=O)NCC2=CCCOC2)CCS(=O)(=O)C1 1325078159 PDBLZFDEGJNQHL-LBPRGKRZSA-N 303.384 -0.286 50 20 DBGD CC(=O)Nc1ccc(F)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1329077296 BOGSEYFEBOQQPB-LLVKDONJSA-N 322.296 -0.176 50 20 DBGD Cn1cc([C@@H](O)CNC(=O)NNC(=O)Cc2cccnc2)cn1 1329992456 WYFGCLKZFASMHJ-LBPRGKRZSA-N 318.337 -0.578 50 20 DBGD Cc1nc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1331834199 PDCXYUMDMYLEJD-SSDOTTSWSA-N 318.380 -0.652 50 20 DBGD CN1CCN(C2CN(C(=O)/C(C#N)=C\c3cnn(C)c3)C2)CC1 1334139636 MVQRYLHVFKVBSK-AUWJEWJLSA-N 314.393 -0.215 50 20 DBGD NS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)CCCCl)C1 1334318461 DHGRXKJGEJINEF-MRVPVSSYSA-N 304.821 -0.445 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCOCC1 1340494184 HTETZIIFMMKVRV-UHFFFAOYSA-N 306.322 -0.615 50 20 DBGD CN(C)CCN1C(=O)C(=NNC(=O)CCO)c2ccccc21 1342842855 NQGYNKGDDLUICJ-UHFFFAOYSA-N 304.350 -0.203 50 20 DBGD CCNC(=O)N(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 1590742177 FHBRAHSWZOCLGQ-UHFFFAOYSA-N 319.329 -0.634 50 20 DBGD CCNC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1604354892 DVJVLAQIAMCNOA-UHFFFAOYSA-N 305.298 -0.404 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)O)O1 1606870521 VENSEBOYMBHROW-VHSXEESVSA-N 317.342 -0.234 50 20 DBGD O=C(CN1CCOC[C@H]1C(=O)O)NNC(=O)c1cccs1 88380639 FCOAGJBWEKWJNK-QMMMGPOBSA-N 313.335 -0.706 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1c(F)cccc1F 126445351 VZDBOLPZALNNSI-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)Cn2cnnn2)nc1C 272126863 ASYNWNRKJMRDGH-UHFFFAOYSA-N 306.286 -0.908 50 20 DBGD C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC=C(C#N)CC1 272643330 LVYJIADXOFEFCR-VIFPVBQESA-N 317.349 -0.607 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1ccccc1 273525998 UDWGWJXCJMBKOW-ZJUUUORDSA-N 313.379 -0.125 50 20 DBGD Cn1cnc(S(=O)(=O)NCC(=O)NCC(Cl)Cl)c1 294461609 QKZYRHLNIYCZLC-UHFFFAOYSA-N 315.182 -0.382 50 20 DBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)N(C)C 299358971 IFROLZGPVNXFKV-ZETCQYMHSA-N 320.396 -0.283 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNC(=O)c2cccn2C)C1=O 299448552 NGIGWLUDSTVSJP-UHFFFAOYSA-N 321.337 -0.540 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 370324672 JFYANYXVNGBTGQ-JTQLQIEISA-N 311.725 -0.167 50 20 DBGD C[C@@H]1CN(CCCNC(=O)c2ccc(B(O)O)cc2)C[C@@H](C)O1 584929317 QVGFZZGYTBPFFM-CHWSQXEVSA-N 320.198 -0.405 50 20 DBGD CC(=O)N1CCC(CNC(=O)c2cc(B(O)O)ccc2F)CC1 584941186 GSCZWYMJJUMIJR-UHFFFAOYSA-N 322.145 -0.506 50 20 DBGD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(B(O)O)cc2)C1 584947430 PRWDSUQGGKXHFH-GXTWGEPZSA-N 318.182 -0.257 50 20 DBGD CSC[C@@](C)(O)CNC(=O)c1ccc(B(O)O)c(F)c1 584948239 FEFPOPYENHOZJB-LBPRGKRZSA-N 301.148 -0.651 50 20 DBGD OC[C@H]1CCCN1CCCCNCc1cccc(B(O)O)c1 585024274 WJZAECGMEBLQQB-MRXNPFEDSA-N 306.215 -0.307 50 20 DBGD O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCB(O)O 585062597 KYKOTHYJOKPYEX-UHFFFAOYSA-N 322.151 -0.754 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(C)C)cn1C 745977135 SALYHUMSEVIYHO-UHFFFAOYSA-N 303.340 -0.223 50 20 DBGD COc1cc(C)nc(NNC(=O)NCc2nnnn2C2CC2)n1 746773795 SPPJMYDFNVFBRL-UHFFFAOYSA-N 319.329 -0.059 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=S)NC[C@H]1CCOC1 749725008 ZVJHZMPQTYWTGW-VHSXEESVSA-N 305.400 -0.430 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCC(F)(F)F 758026608 SHKYSMIDDYTDNK-ZCFIWIBFSA-N 319.305 -0.196 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnccn1 763823699 KOZQUDLAWKQEIV-UHFFFAOYSA-N 300.278 -0.937 50 20 DBGD Cn1ncc(Cl)c1C=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 780212053 BVSLFXWDQBCYKN-SSDOTTSWSA-N 319.774 -0.106 50 20 DBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNc2ncncc2Cl)O1 781003353 SFVYXPIKBJTJBK-POYBYMJQSA-N 314.733 -0.211 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CNc1ccccc1C(N)=O 788267579 WTXINFSWKSEQGR-UHFFFAOYSA-N 315.333 -0.003 50 20 DBGD Cn1cc(C=NNC(=O)c2ccc(O)cc2)c(=O)n(C)c1=O 807182826 JRVLOVZDSLQVHA-UHFFFAOYSA-N 302.290 -0.447 50 20 DBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1C(=O)NC(=O)NC1=O 814215568 SFXYUAWGJYLSPK-ZCFIWIBFSA-N 322.252 -0.569 50 20 DBGD Cn1c(NNC(=O)[C@H]2CCCN2C=O)nc2ccccc2c1=O 827622008 SSZFZXUFSBCRRK-GFCCVEGCSA-N 315.333 -0.003 50 20 DBGD CS(=O)(=O)c1ccc(NNC(=O)C2(n3cnnn3)CC2)cc1 830776209 BIXKOXXNABIHFV-UHFFFAOYSA-N 322.350 -0.291 50 20 DBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCl 831304530 SJSFHOHZDQDVGV-NKWVEPMBSA-N 300.764 -0.442 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 843649389 UOERVYXDNCAQFO-NXEZZACHSA-N 318.395 -0.084 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(-n2cnnn2)c1 843650123 YVCHOLSGDHRVIG-JOYOIKCWSA-N 316.321 -0.152 50 20 DBGD CO[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCOC1 852255719 HCCGPVICWHOXLV-CYBMUJFWSA-N 312.301 -0.030 50 20 DBGD CC1(C)[C@]2(C(=O)NNC(=O)C(=O)NC3CC3)CC[C@@]1(C)C(=O)O2 858168687 ZMYZDDVOFREEQB-LSDHHAIUSA-N 323.349 -0.466 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)NC(C)C)cc1 1116080554 GDXGXKMDQKPLNE-UHFFFAOYSA-N 322.321 -0.694 50 20 DBGD O=C(CCO)NNC(=O)Nc1cccnc1N1CCOCC1 1116636127 SRHIVMPJTKFINI-UHFFFAOYSA-N 309.326 -0.547 50 20 DBGD Cn1nnc2c1C[C@@H](C(=O)NNc1ncnc3[nH]cnc13)CC2 1117635760 JKKYLSFETVLCTD-ZETCQYMHSA-N 313.325 -0.270 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 1118314083 LIRZRWHLQANYDD-RKDXNWHRSA-N 301.310 -0.383 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)n1 1318078797 VLHVSBFZZZRTBT-UHFFFAOYSA-N 320.305 -0.748 50 20 DBGD Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)C(=O)NC1CC1 1318821167 BSRMZWDGOIFWEF-QMMMGPOBSA-N 321.381 -0.358 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 1320711731 URLVIQVRWCQLPJ-UHFFFAOYSA-N 319.195 -0.637 50 20 DBGD O=C(NNS(=O)(=O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1323533950 QYBZHTPGDLGPIE-SSDOTTSWSA-N 324.405 -0.508 50 20 DBGD Cn1cncc1CC(=O)NNC(=O)CNC(=O)c1ccco1 1329004704 QHUFSRHZHCPTPD-UHFFFAOYSA-N 305.294 -0.867 50 20 DBGD C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)CN1CCCC1=O 1332272887 BIVDWCGOWMPIMH-JTQLQIEISA-N 307.354 -0.632 50 20 DBGD NC(=O)Cn1cc(C(=O)NNCC(F)(F)C(F)(F)F)nn1 1335348150 ZTJWWUOTBMDKAD-UHFFFAOYSA-N 316.190 -0.805 50 20 DBGD CCn1cc(NC(=O)C(=O)NNC(=O)c2cccn2C)cn1 1337968988 KKMSHIPOPNOTPO-UHFFFAOYSA-N 304.310 -0.359 50 20 DBGD CN(C)CC[C@H](N)C(=O)NNc1nc(-c2cccnc2)no1 1346321695 YQQCQIMVJUDGBB-JTQLQIEISA-N 305.342 -0.146 50 20 DBGD CC(C)OC[C@H](N)C(=O)NNC(=O)Cn1cnc2ccccc21 1575790826 KGMKMSZHQBXBMZ-NSHDSACASA-N 319.365 -0.064 50 20 DBGD O=C1COc2ncc(C(=O)NNC(=O)[C@H]3CCCNC3)cc2N1 1580853354 ZFZQRSZLUWFSOZ-QMMMGPOBSA-N 319.321 -0.827 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1591111442 NKXJUVLTSFSBRZ-GARJFASQSA-N 315.370 -0.664 50 20 DBGD O=C(NCc1ccc(-n2ccnc2)nc1)NNC(=O)C(=O)O 1601533151 AHLKLDYQGLXMAJ-UHFFFAOYSA-N 304.266 -0.818 50 20 DBGD CN(C)CCC(=O)NN/C=C1/C(=O)NC(=O)c2ccccc21 53194622 RSUQVMDVYOHFFF-FMIVXFBMSA-N 302.334 -0.130 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)NC(=O)c1ccoc1 109858644 UATYPGZMIUGPRZ-QMMMGPOBSA-N 305.294 -0.109 50 20 DBGD CO[C@H](C(=O)NNC(=O)Cn1nc(C)cc1C)c1cnn(C)c1 281564904 QPUBPQXVYDQWOK-ZDUSSCGKSA-N 320.353 -0.231 50 20 DBGD COCCN(C)NC(=O)c1cc(C)ccc1S(N)(=O)=O 288604202 UEWYNZUUWMHXRV-UHFFFAOYSA-N 301.368 -0.135 50 20 DBGD CCCc1nnc(SCC(=O)NNc2ncccn2)n1N 291423679 HAYWVEDDORONRN-UHFFFAOYSA-N 308.371 -0.030 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)N1CCOCC1 584940895 ANMSBQCCHWFZQN-GHMZBOCLSA-N 324.161 -0.656 50 20 DBGD CCNC(=O)C(C)(C)CNC(=O)c1ccc(B(O)O)c(F)c1 584965178 OZNXJLKNFMVXMP-UHFFFAOYSA-N 310.134 -0.602 50 20 DBGD O=C(NCc1cc2n(n1)CCCO2)c1cccc(B(O)O)c1 584992353 JZPPMMOVGNEDTJ-UHFFFAOYSA-N 301.111 -0.725 50 20 DBGD CO[C@@H]1COCC[C@@H]1CNC(=O)c1cc(B(O)O)ccc1F 584998196 NWPOMRVNSILMTH-NOZJJQNGSA-N 311.118 -0.713 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](N2CCOCC2)C1 585008841 NFSVMFFWAINISV-LBPRGKRZSA-N 322.145 -0.948 50 20 DBGD C[C@@H]1CN(CCCNCc2cccc(B(O)O)c2)CCCO1 585038030 QBSCREDRTRPUDQ-CQSZACIVSA-N 306.215 -0.043 50 20 DBGD O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCB(O)O 585062014 OERCCWUJWRVSRX-UHFFFAOYSA-N 306.127 -0.142 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 729510501 PTIOMAXJRBABMQ-UHFFFAOYSA-N 312.285 -0.017 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)Cc3cc[nH]n3)nn12 730090605 KZUJMMHJCGJYFR-UHFFFAOYSA-N 300.282 -0.840 50 20 DBGD COCCCNC(=O)NNC(=O)CNC(=O)CCC(C)C 732063374 OQKRZTMHEZRGNV-UHFFFAOYSA-N 302.375 -0.094 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cnc(C)nc1C 741463568 GUYKCQIRTXIRAL-VIFPVBQESA-N 313.383 -0.129 50 20 DBGD CC(=O)NCC(=O)NNC(=S)NCCc1cccs1 753015436 MSZFPVBDHWRXGG-UHFFFAOYSA-N 300.409 -0.078 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 753594232 RXMRYBBFVARZPY-UHFFFAOYSA-N 318.355 -0.198 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CCCO1 755138177 BNLYGOIOWBAWGV-CQSZACIVSA-N 324.337 -0.091 50 20 DBGD COCCOc1ccc(NC(=O)NNC(=O)CO)cc1F 756202196 HJVKUXOQWRLFRT-UHFFFAOYSA-N 301.274 -0.004 50 20 DBGD O=C(NNC(=O)C1CC1)Nc1cnn(CCN2CCOCC2)c1 764672064 MYZKTTOALUEOCE-UHFFFAOYSA-N 322.369 -0.222 50 20 DBGD CC(C)(C(N)=O)C(=O)OCC(=O)NNC(=O)c1ccccc1 769701203 UZIFTQZOQYFVQE-UHFFFAOYSA-N 307.306 -0.498 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCNC(=O)C1 772189008 WXPPETVWVCIWLY-VHSXEESVSA-N 313.354 -0.362 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(C)(C)S(=O)(=O)CC1 773970226 UMDWJWGQUYJOPB-SNVBAGLBSA-N 319.427 -0.169 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1ncccc1C 791024085 VYDGVNAFQIWSIC-UHFFFAOYSA-N 301.372 -0.045 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)c(=O)n(C)c1=O 794953630 OTYPODNJSVFCHC-OYUORYAFSA-N 303.318 -0.013 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cn(C(C)(C)C)nn2)CC1 807381746 HENQUWRSNPPYBG-UHFFFAOYSA-N 309.374 -0.365 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NN(C)[C@@H](C)CO 823971736 YVQQMEIHWPJXPD-RYUDHWBXSA-N 321.443 -0.076 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CC(=O)N1CCCC1 827314773 JRWFJSWRAJYRSA-QWRGUYRKSA-N 312.370 -0.294 50 20 DBGD C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843976562 QPWGQAXIJFCZKX-AEJSXWLSSA-N 309.322 -0.030 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC[C@H]1C(N)=O 847299286 YVBZOMHKUOCDSX-ZJUUUORDSA-N 315.333 -0.085 50 20 DBGD CCN1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1=O 852313212 DWYMCHDDBSTQCS-SECBINFHSA-N 309.301 -0.215 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)C1(n2cnnn2)CC1 854509957 GHPMZRUHTFAAGR-UHFFFAOYSA-N 316.321 -0.439 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)CC(F)(F)F)CC1=O 855002667 ZZBSKLJGTYEZHX-QMMMGPOBSA-N 324.303 -0.504 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2cc[nH]n2)c(=O)c1 855356978 WJCPSHUPZXVZRH-AWEZNQCLSA-N 319.321 -0.908 50 20 DBGD CC(C)(C(=O)NNC(=O)c1cccc(F)n1)S(C)(=O)=O 856425115 ZSPSVLQNBJCONH-UHFFFAOYSA-N 303.315 -0.195 50 20 DBGD COC[C@H](OC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 856759131 XKGHCGIJEOFPMK-TUAOUCFPSA-N 317.386 -0.706 50 20 DBGD CCN1CCC(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858279583 JHMZVFGLUSSFSM-LLVKDONJSA-N 311.386 -0.673 50 20 DBGD C[C@@H]1CC2(CCOCC2)CN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858702419 JNADFJLYXXSWKL-GHMZBOCLSA-N 324.381 -0.103 50 20 DBGD C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862449329 NIXHPSVDVPLAKZ-ONGXEEELSA-N 318.333 -0.769 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)N1 862449907 LWOFRMGWODBTEH-MWLCHTKSSA-N 322.365 -0.797 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)N1 862462443 WYYRRNAWEWJYDF-QJPTWQEYSA-N 303.318 -0.078 50 20 DBGD Cc1csc(C(=O)NNC(=O)C2=NN(CCO)C(=O)CC2)c1 862478708 NCEAYHCMVBJGPU-UHFFFAOYSA-N 324.362 -0.212 50 20 DBGD CC[C@@H](OC1CCCC1)C(=O)NNC(=O)CS(C)(=O)=O 863463828 VYOSHSOWHMTQRV-SNVBAGLBSA-N 306.384 -0.084 50 20 DBGD CN(CCNC(=O)c1cc(B(O)O)ccc1F)CC(F)F 863890728 QYCLWVCELZEJEM-UHFFFAOYSA-N 304.077 -0.568 50 20 DBGD CC(C)c1nccn1CC(=O)NNC(=O)C(=O)N1CCCC1 874257776 LOMSSHFZXXGLEQ-UHFFFAOYSA-N 307.354 -0.224 50 20 DBGD CC(C)c1noc(CCC(=O)NNC(=O)CN2CCCC2=O)n1 920435987 SOGRJRPUHOSRRE-UHFFFAOYSA-N 323.353 -0.105 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CSCC(=O)N2)c1 929391015 RLJNIPHBAKJHQH-NSHDSACASA-N 322.390 -0.255 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 1252438406 OHCVYFUYUALAGF-LBPRGKRZSA-N 320.349 -0.236 50 20 DBGD CS(=O)(=O)CCCCNC(=O)NNC(=O)[C@@H]1CCCCO1 1261443154 KPGDHBOEDDMSKM-JTQLQIEISA-N 321.399 -0.289 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 1320347623 UHWXBSGILNJQRQ-UHFFFAOYSA-N 306.278 -0.487 50 20 DBGD NC(=O)N1CCC(=NNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 1549315098 APQIYWVWQOACAY-VXGBXAGGSA-N 309.370 -0.504 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)s1)c1ncon1 1593158724 ZEZLCXPFIQCXQM-UHFFFAOYSA-N 306.267 -0.614 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CCC(=O)O)c1 1594625761 OIJVCAQXZYXMGQ-UHFFFAOYSA-N 319.273 -0.273 50 20 DBGD O=C(O)Cn1cccc1C=NNC(=O)[C@H]1CCS(=O)(=O)C1 1608799416 NIWVPQQWKYKLQV-VIFPVBQESA-N 313.335 -0.543 50 20 DBGD C[C@H]1CN(C)C[C@@H](C(=O)NN=Cc2ccc(C(=O)O)nc2)O1 1776092194 CELCUHHGUQEBMV-CABZTGNLSA-N 306.322 -0.051 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1n[nH]c2cc(C(=O)O)ccc12 1776097225 SKKVDFSNSJWCTQ-UHFFFAOYSA-N 324.318 -0.244 50 20 DBGD CC(C)(C)OC(=O)N(CCO)N=Cc1cn(CC(=O)O)nn1 1776110909 ZTKIYJYONGTNJC-UHFFFAOYSA-N 313.314 -0.074 50 20 DBGD C[C@@H](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)N(C)C1CC1 105264806 WYJRETMAQUCTKU-GXFFZTMASA-N 318.443 -0.150 50 20 DBGD C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)CN(C)C)NC1=O 265097135 VXAMTXNISILJAI-QMMMGPOBSA-N 306.322 -0.271 50 20 DBGD CC(C)CSCCNC(=O)NNC(=O)C(=O)NC1CC1 270448229 OXBBGZJCBVTWLL-UHFFFAOYSA-N 302.400 -0.015 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)CNc1ccc(C)cc1 270489022 LRGTVWDOFGGZRW-UHFFFAOYSA-N 322.365 -0.341 50 20 DBGD COCCN(C)NC(=O)CCNS(=O)(=O)c1cccnc1 297134441 QFLHHHISLQMGQE-UHFFFAOYSA-N 316.383 -0.641 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 363850646 DJEAYAALNOBMLN-QJPTWQEYSA-N 324.381 -0.103 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cncnc1 495434161 NKCOLMGTEHSGOE-UHFFFAOYSA-N 324.341 -0.055 50 20 DBGD O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(B(O)O)cc1 584938084 VWDUKDKJUFUUDA-LLVKDONJSA-N 316.088 -0.267 50 20 DBGD O=C(NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc(B(O)O)cc1 584968521 LPGWCAYNPDLJTQ-GJZGRUSLSA-N 318.182 -0.651 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@]2(CCCNC2=O)C1 584976789 MEOAKJPXUUUBDT-MRXNPFEDSA-N 316.166 -0.501 50 20 DBGD C=CCN1CC[C@@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1=O 584985350 KWDRYYOJOJIVBH-CYBMUJFWSA-N 320.129 -0.636 50 20 DBGD C=CCN1CC[C@@H](N(C)C(=O)c2cc(B(O)O)ccc2F)C1=O 584986334 WGBSDZGGEXQABR-CYBMUJFWSA-N 320.129 -0.636 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 585032502 VYABDKNQROXUAV-HZPDHXFCSA-N 304.199 -0.291 50 20 DBGD CC(C)(C)C(=O)N1CC[C@@H](CNCc2ccc(B(O)O)o2)C1 585040827 KJEYIARLXQMGOL-NSHDSACASA-N 308.187 -0.056 50 20 DBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)C(=O)N1CCCC1 725713025 LHIJRHSWFAEKJH-UHFFFAOYSA-N 324.381 -0.547 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN([C@H]2CCC[C@@H]2O)CC1 734487598 XIAIDZRGNFOJHF-AVGNSLFASA-N 312.414 -0.537 50 20 DBGD Cc1cc(NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)nc(C)n1 736716403 CZKQVPSRUFOWHL-JTQLQIEISA-N 313.383 -0.039 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 738466286 BQTNEYAYJYWXFU-LLVKDONJSA-N 301.306 -0.267 50 20 DBGD CCOCC(=O)NNC(=O)NCCN1CCC(N(C)C)CC1 759607097 GPJBXUGOZUGTCJ-UHFFFAOYSA-N 315.418 -0.621 50 20 DBGD CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)CO 764427755 BNHOCJXPJBLQIU-UHFFFAOYSA-N 314.729 -0.516 50 20 DBGD COC(=O)[C@]1(NCC(=O)NNC(=O)C(C)(C)C)CCOC1 767685517 PMTPTYGUSCHGEI-ZDUSSCGKSA-N 301.343 -0.898 50 20 DBGD COC(=O)CCCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 777438359 VLSUTPDMXCPRKP-SNVBAGLBSA-N 306.384 -0.178 50 20 DBGD CC1(C)C[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C(C)(C)O1 779385902 WGZUFKKURINXGJ-SECBINFHSA-N 312.370 -0.059 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CCNS(C)(=O)=O 780738285 JPFYZXGDCLXUJW-UHFFFAOYSA-N 315.351 -0.144 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cn(C)c(C)n1 800812578 IGUMFQQVKMLUFA-MRVPVSSYSA-N 301.372 -0.494 50 20 DBGD COC(=O)COCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 806293945 GXUUBFDTJCDSLU-NSHDSACASA-N 324.289 -0.837 50 20 DBGD COc1cccc2c(C(=O)NNC(=O)C(=O)NC3CC3)n[nH]c12 809549582 YROUJOCQPOMSES-UHFFFAOYSA-N 317.305 -0.389 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 822838377 WMHXWHIGFMJUNN-PHDIDXHHSA-N 318.273 -0.061 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CCCS(=O)(=O)C2)n1 845933977 JGCVRGUGXQVGEE-ZCFIWIBFSA-N 319.774 -0.020 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 855000057 AAKNOYUVHIXGRQ-ZETCQYMHSA-N 319.305 -0.340 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(C2CCCC2)CCNC1=O 858168206 PAPHEBRDWCFAHW-OAHLLOKOSA-N 324.381 -0.645 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1CCN(CC(F)(F)F)C1 858281040 KAESSVVTVPFYDP-MRVPVSSYSA-N 320.275 -0.010 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 859440598 NTMNYZQUGGHMEW-UFBFGSQYSA-N 307.306 -0.502 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(OCC(=O)O)cc1 863188703 JZSFLECPIFZLTA-UHFFFAOYSA-N 314.319 -0.355 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@H]1CC(c2ccccc2)=NO1 869908892 ATYSWYVGVRCJJF-ZDUSSCGKSA-N 321.333 -0.010 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 910170691 MWLDSZZYWIMWEP-RYUDHWBXSA-N 306.366 -0.226 50 20 DBGD CN(C)C(=O)N1CCC(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 1116004726 RMQHUYOAAWRVEC-UHFFFAOYSA-N 322.369 -0.507 50 20 DBGD Cc1cc(C(=O)N2CC[C@@H](B(O)O)C2)c2c(O)nn(C)c2n1 1118974577 HZSQLRLSXYAVTC-MRVPVSSYSA-N 304.115 -0.329 50 20 DBGD O=C(NNC(=O)c1nccn2ccnc12)C(=O)N1CCCC1 1318776635 IMQWJZBNSIJTKJ-UHFFFAOYSA-N 302.294 -0.887 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)C2CC2)cn1C 1320223993 HOJLEDDDXYYFMM-UHFFFAOYSA-N 308.294 -0.692 50 20 DBGD CN(C)C(=O)N1CCC(C(=O)NNc2nccn(C)c2=O)CC1 1323508348 MWCMKTNIWMUNMY-UHFFFAOYSA-N 322.369 -0.383 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnn2c1OCCC2 1324244313 GSXVBENIZRHDDY-UHFFFAOYSA-N 323.353 -0.269 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC1(SC)CCN(C)CC1 1324257183 HUQWDEPKCOKCIU-UHFFFAOYSA-N 318.399 -0.683 50 20 DBGD CN(NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)C(N)=O 1324777121 VWPQHZVTOVHUFT-UHFFFAOYSA-N 304.303 -0.148 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccccc1Cn1cncn1 1325503357 GDYIPSJBQFTELB-UHFFFAOYSA-N 316.321 -0.178 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 1330376863 QPRSGWATBJGESY-SECBINFHSA-N 322.369 -0.707 50 20 DBGD Cc1noc([C@@H]2CCCN2C(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 1331534434 UYNSPJCEEJFPDO-IUCAKERBSA-N 322.325 -0.466 50 20 DBGD CN(C)S(=O)(=O)c1cc(C(=O)NNc2cccnn2)n(C)c1 1337680242 UXBZRFBSIOTOIW-UHFFFAOYSA-N 324.366 -0.178 50 20 DBGD CN(N)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1573877224 JGOJAYHTYJAUHG-OUAUKWLOSA-N 317.411 -0.572 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1588630855 LHCBPKXQBBWBPX-UHFFFAOYSA-N 320.367 -0.541 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C\c2ccc(C(=O)O)o2)CC1 1598611581 YHPWEGHPLSEFQL-HYXAFXHYSA-N 322.321 -0.021 50 20 DBGD Cc1oc(C(=O)O)cc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 1600828637 WVWAPGLWXVSBJX-LURJTMIESA-N 317.323 -0.326 50 20 DBGD CC[C@@H](CO)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1604041047 WJCDGMWLYLVKCR-QMMMGPOBSA-N 304.310 -0.354 50 20 DBGD CO[C@]1(C(=O)O)CCN(CC(=O)NNC(=O)c2ccccc2)C1 1606703828 SEGPGZFQJWLPLF-OAHLLOKOSA-N 321.333 -0.377 50 20 DBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)c(F)c1 1608875076 LEJMIJQVRYPEFL-JTQLQIEISA-N 312.253 -0.300 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@]1(CC(=O)O)CCOC1 1609690449 FAPPWBUSXZVKKV-YGRLFVJLSA-N 315.370 -0.208 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)[C@@H]2CCOC2)n1 106886282 ZDZVXDHGXLTYDS-SNVBAGLBSA-N 312.395 -0.138 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CN(C)CCO1 267967738 FUIOPUVBSXFZOT-ZDUSSCGKSA-N 322.365 -0.415 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c1 276674050 VCPZXDYQOMNNBU-VXGBXAGGSA-N 320.349 -0.454 50 20 DBGD NC(=O)c1ccc(CC(=O)NNC(=O)N2CCOCC2)cc1 276914621 QVKVYBSBUMORDV-UHFFFAOYSA-N 306.322 -0.599 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)C(C)(C)O)c1 277935748 KJGZCNHVSJXFLD-UHFFFAOYSA-N 321.380 -0.812 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNc1nnc[nH]1 293512392 AFPSZAGRLNZPTJ-YIKMNZTOSA-N 302.294 -0.945 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@]1(O)CCc2ccccc2C1 367126013 JVSMZCDCOXRGRY-INIZCTEOSA-N 319.361 -0.422 50 20 DBGD CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CO 495264823 LINCJWPWWGVBBP-QMMMGPOBSA-N 321.399 -0.228 50 20 DBGD N#CCCN(C[C@H]1CCOC1)C(=O)c1cc(B(O)O)ccc1F 584941240 AHRZSDKZNLNQEH-LLVKDONJSA-N 320.129 -0.102 50 20 DBGD O=C(Nc1nc2n(n1)CCCC2)c1cc(B(O)O)ccc1F 584999706 KZIWZZRVAFRMBR-UHFFFAOYSA-N 304.090 -0.314 50 20 DBGD CN(C)C(=O)CN1CCC(NCc2cccc(B(O)O)c2)CC1 585020332 SSZFCLULDLJHMA-UHFFFAOYSA-N 319.214 -0.991 50 20 DBGD COc1cc(OC)cc(N2C[C@H](C(=O)NCB(O)O)CC2=O)c1 585059855 DHCUNHMXSGPTEX-SECBINFHSA-N 322.126 -0.815 50 20 DBGD O=C([C@@H]1COCCN1CC(F)(F)F)N1CC[C@H](B(O)O)C1 585065242 WGHLLGMHTZGQPM-IUCAKERBSA-N 310.081 -0.675 50 20 DBGD CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729541008 AJAUUDLPZRBKPI-UHFFFAOYSA-N 304.266 -0.457 50 20 DBGD CCS(=O)(=O)Nc1ccc(C(C)=NNC(=O)C(N)=O)cc1 729633236 LWGLIZFTRNOKIV-UHFFFAOYSA-N 312.351 -0.226 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccc(C(=O)O)cc1 736477065 CVDZTZIPSRGUST-UHFFFAOYSA-N 321.333 -0.011 50 20 DBGD COC[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CC1 750442635 ILYPKPUBSDGOIG-ZYHUDNBSSA-N 305.400 -0.208 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1Cl 758057544 VSIKFBLYHCTRJD-ZCFIWIBFSA-N 320.758 -0.566 50 20 DBGD Cn1nccc1C(=O)NNC(=O)CNC(=O)c1cccnc1 764344367 BNFXTRXVTGMWJJ-UHFFFAOYSA-N 302.294 -0.994 50 20 DBGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)CO 777781895 QKAAWMRANQSRPL-QMMMGPOBSA-N 318.326 -0.625 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CO1 784295258 DPABKERMQSZCCC-KOLCDFICSA-N 316.321 -0.152 50 20 DBGD COCCONC(=O)NNC(=O)CNC(=O)c1cccs1 789340039 MKJBROQGAFEHAC-UHFFFAOYSA-N 316.339 -0.614 50 20 DBGD C[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)c1cccc(C#N)c1 819888429 DQCQWZHVEFWHPP-VIFPVBQESA-N 304.306 -0.276 50 20 DBGD CCN(CCO)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 823897664 IIZSQYYBGBIJFW-YUMQZZPRSA-N 318.317 -0.445 50 20 DBGD N#Cc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 831884342 GBPMXCLPMAOMDC-QMMMGPOBSA-N 323.334 -0.459 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCc1ccccc1C(=O)O 833502485 RDHWBLZHESTGRS-UHFFFAOYSA-N 321.333 -0.011 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2ccccc2O1)C(=O)NC1CC1 839469561 MDZGAALAMWQFTQ-LBPRGKRZSA-N 303.318 -0.194 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccnc2c1nnn2C 843652562 BIYKCMNPJKHKHI-JGVFFNPUSA-N 304.310 -0.451 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ncncc1Cl 845992678 BQZGQRNSVRLWGJ-UHFFFAOYSA-N 322.778 -0.689 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 854927223 ZHCUFFNDDZXXDE-RITPCOANSA-N 312.317 -0.089 50 20 DBGD C[C@@H](C(=O)NNC(=S)N[C@H](C)C1CC1)N1CCN(C)CC1 855100921 LQLVRUIHPRLUFE-MNOVXSKESA-N 313.471 -0.084 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=O)Cc2ccc(F)cc2)C1=O 858151146 VNUWUSIPXYWCHY-UHFFFAOYSA-N 322.296 -0.590 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCN1C1CCCC1 862468342 VSBGPTCDIYNKBS-GFCCVEGCSA-N 308.382 -0.227 50 20 DBGD CC(C)(NC(=O)c1cccc(B(O)O)c1)C(=O)N1CCCC1 867957181 DTBQYCYGJBSDKF-UHFFFAOYSA-N 304.155 -0.503 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)C1=O 899942718 QDAAMSWDYBWSIB-SNVBAGLBSA-N 311.725 -0.042 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCc3n[nH]cc3C2)cn1 1116294426 YGPMYZAXYIKUDS-JTQLQIEISA-N 303.326 -0.355 50 20 DBGD Cn1cc(-c2n[nH]cc2C(=O)NNC(=O)Cc2cc[nH]n2)cn1 1116686000 FRAZHCGYBLLYNJ-UHFFFAOYSA-N 314.309 -0.463 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCC1(C)OCCO1 1261453827 QFBKUTANCYMTLD-VHSXEESVSA-N 301.343 -0.105 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1319407917 FEBNRMOMFMHLJP-MRVPVSSYSA-N 304.328 -0.216 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)nc1 1319962985 KJCMCKINTMZARR-UHFFFAOYSA-N 302.312 -0.619 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1C(N)=O 1322109116 GMJGNMYLPHGPJI-UHFFFAOYSA-N 300.340 -0.442 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)Cc1ccncc1 1326026614 HXKLPVZNEQQCEK-GXSJLCMTSA-N 321.337 -0.589 50 20 DBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)[C@H]2CCCO2)CO1 1574685884 GRSHTBFLNDGALD-LPEHRKFASA-N 300.311 -0.417 50 20 DBGD COc1ccc(NNC(=O)[C@H]2CNCCN2C)c([N+](=O)[O-])c1 1579230698 WUUWYYLJIQDMFW-GFCCVEGCSA-N 309.326 -0.050 50 20 DBGD N#Cc1ccc(NNC(=O)Cn2cccc(C(=O)O)c2=O)nc1 1601107918 RHHGZEPBEUKHCB-UHFFFAOYSA-N 313.273 -0.044 50 20 DBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)CN1CCCC1=O 1607492888 XFTJVEIFLQGLCO-UHFFFAOYSA-N 322.321 -0.287 50 20 DBGD C[C@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110392 QZKWYCOVHABVJG-ZIQFBCGOSA-N 317.817 -0.181 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 23787640 YOACMIHMXFNIDZ-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN1Cc2ccccc2C1=O 264330429 UZDOIPCPOPGRFR-UHFFFAOYSA-N 318.333 -0.686 50 20 DBGD C[C@@H](O)C[C@@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 274355134 XWECTJKOHQTDNH-TZMCWYRMSA-N 321.377 -0.081 50 20 DBGD COC(=O)N(C)NC(=O)CNS(=O)(=O)c1ccccc1F 291034960 YSLRHFIANCADSS-UHFFFAOYSA-N 319.314 -0.167 50 20 DBGD O=C(O)c1csc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)c1 292223026 AFVPRUKEFLUGGT-SSDOTTSWSA-N 320.348 -0.065 50 20 DBGD NC(=O)N1CCC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584990081 OEAZXHJZOFILOW-VIFPVBQESA-N 323.133 -0.974 50 20 DBGD C[C@H](C(=O)NCB(O)O)N1CCN(c2ccc(F)cc2)CC1 585061134 LTIRIHFWLWZRQM-LLVKDONJSA-N 309.150 -0.536 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N(C)C 730272228 AIHSUTFPTMDOCW-ZJUUUORDSA-N 305.400 -0.845 50 20 DBGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)CCc1ccccc1 746192550 YEJIVHKVDDUDRV-UHFFFAOYSA-N 317.305 -0.136 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CCCNC2=O)nc1 759728780 IYNPGZUHLMMTRP-UHFFFAOYSA-N 307.310 -0.273 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[S@](=O)C1 763876878 IMLUWAJYHKYDPE-FVINQWEUSA-N 303.428 -0.120 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 764318306 VKKWZVCTADBLDF-UHFFFAOYSA-N 310.266 -0.283 50 20 DBGD C[C@H](OCC1CC1)C(=O)NNC(=O)CNC(=O)c1cccnc1 764344689 HPBHHBPXGUJVBL-JTQLQIEISA-N 320.349 -0.226 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CCC[C@H]1C 769651021 PNDGXGWLNSUIAD-UTLUCORTSA-N 305.400 -0.102 50 20 DBGD O=C(CO)NNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776188339 BXKGXUCMBOZKBV-UHFFFAOYSA-N 324.293 -0.815 50 20 DBGD C[C@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CCO1 776347004 PAQXHMNEGOLTSB-QWRGUYRKSA-N 320.349 -0.226 50 20 DBGD COCCONC(=O)NNC(=O)COc1ccc(OC)cc1 789346388 IKCSKQWTMBKTDX-UHFFFAOYSA-N 313.310 -0.018 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)N=c1cc[nH]cc1)C(C)C 802023003 KSACBXUCRXKKMW-LBPRGKRZSA-N 323.353 -0.557 50 20 DBGD O=C(O)NNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 833281051 VDQCROYDGYKDAT-UHFFFAOYSA-N 306.321 -0.523 50 20 DBGD Cc1cc(C)n2nc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)nc2n1 843637171 BHCAFSIFEGDRBK-ZJUUUORDSA-N 318.337 -0.073 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-n2cnnn2)c1 843650051 YVCHOLSGDHRVIG-CABZTGNLSA-N 316.321 -0.152 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)N2)c1 845435662 PWZWDNROIWEPKS-SNVBAGLBSA-N 308.319 -0.989 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NN=c1cc[nH]cc1Cl 845948518 WMKIQQBEBNTWAZ-UHFFFAOYSA-N 322.756 -0.005 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnn3ncccc23)CC1 854378818 CQMBVTMBBTXRQC-UHFFFAOYSA-N 303.326 -0.669 50 20 DBGD C[C@H](NC(=S)NNC(=O)C1(S(C)(=O)=O)CC1)C1CC1 855097449 QNKYLLZSZHYWJQ-ZETCQYMHSA-N 305.425 -0.143 50 20 DBGD C[C@]1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1Br 857384891 BMHWHCSZCVVPJV-ACLDMZEESA-N 311.201 -0.032 50 20 DBGD Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460225 DMIWZTHJHLCEKI-SNVBAGLBSA-N 307.281 -0.257 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1CCCC1 874270472 VCCPDMLBPYLGLC-UHFFFAOYSA-N 310.379 -0.279 50 20 DBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1ccccc1 912521022 GMGDZTXAZZUWIP-UHFFFAOYSA-N 324.318 -0.180 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cc[n+]([O-])cc1 1115947580 IBKUCGAKZKOLLN-UHFFFAOYSA-N 320.330 -0.428 50 20 DBGD COC(=O)C(=O)NN[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 1116371756 WFQLVBBOCNUKAF-JTQLQIEISA-N 324.289 -0.519 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1 1116874980 XWZGDYDJMRGRPU-JTQLQIEISA-N 310.331 -0.549 50 20 DBGD C[C@H](C(=O)NNC(=O)CC1CC1)S(=O)(=O)C1CCOCC1 1117806142 WLCSCPLHOMDGBE-SECBINFHSA-N 318.395 -0.084 50 20 DBGD COCC1(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1261498440 FLOCMDUZBRWGQD-VIFPVBQESA-N 319.383 -0.679 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 1320379628 XHGHROLXELACLA-UHFFFAOYSA-N 320.305 -0.096 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 1321394763 PABRRZXNDJKVAF-QMMMGPOBSA-N 304.310 -0.919 50 20 DBGD C=CCNC(=S)NNC(=O)C[C@H]1CCCS(=O)(=O)C1 1330306031 VSSGWIIJIUTHAM-SECBINFHSA-N 305.425 -0.117 50 20 DBGD Cc1nc(C)c(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1331518803 FXBHKJOYDDMHDZ-QMMMGPOBSA-N 311.367 -0.131 50 20 DBGD CC(=O)Nc1nc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cs1 1348479035 PPXDJSUMXVXKDK-LURJTMIESA-N 311.323 -0.859 50 20 DBGD C[C@@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)C[C@@H](O)CN1 1576350963 UVSLHXDQERDPRP-WBMJQRKESA-N 316.361 -0.098 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)O 1589693728 ZELPNCHFPILDCS-WCBMZHEXSA-N 301.343 -0.910 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@@H]2C(=O)O)c1 1605320563 QTLUVKHWDXDLKK-GFCCVEGCSA-N 321.333 -0.459 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 1610699010 ARXPDNLFUOWWSB-MRVPVSSYSA-N 312.326 -0.665 50 20 DBGD CN1CCN(CC(=O)NNC(=O)Cc2ccc(F)cc2)CC1 109935545 DAWFPQPVAZGCRO-UHFFFAOYSA-N 308.357 -0.237 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccccc2)[nH]n1 153106077 QWKNWWKURIIIRX-UHFFFAOYSA-N 301.306 -0.091 50 20 DBGD C#CCOc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 265897705 CHHWGTQVCDQYIE-UHFFFAOYSA-N 301.302 -0.262 50 20 DBGD C[C@@H](C(=O)NNc1nccn(C)c1=O)n1nnnc1C(C)(C)C 273416680 NWAWHHYKFNNUJH-QMMMGPOBSA-N 320.357 -0.231 50 20 DBGD C[C@@]1(C(N)=O)CCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 280486591 AUVVBYXYHBGPHR-OAHLLOKOSA-N 322.340 -0.216 50 20 DBGD CCNC(=O)N(C)NC(=O)c1nnn(-c2ccn(C)n2)c1C 293505703 PBCQOSGWXKLFAJ-UHFFFAOYSA-N 306.330 -0.385 50 20 DBGD O=C1CN(c2ccnc(C(=O)NNC(=O)CC3CC3)c2)CCN1 294050454 FPYAYATXXFWHSZ-UHFFFAOYSA-N 317.349 -0.421 50 20 DBGD Cn1c(CNC(=O)c2cc(B(O)O)ccc2F)nnc1C1CC1 584971723 YVZSNAGMIDTSLE-UHFFFAOYSA-N 318.117 -0.559 50 20 DBGD O=C1CC[C@H]2CN(C(=O)c3ccc(B(O)O)cc3)CC[C@H]2N1 585008167 UFGJJLCEXBEPHX-WCQYABFASA-N 302.139 -0.893 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1COc2cc(O)ccc21 728434617 OAARPQTXOPTXMK-SSDOTTSWSA-N 313.335 -0.457 50 20 DBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNC(=O)c1ccc[nH]1 729617789 HAYRQXOPVMTSCL-MNOVXSKESA-N 307.354 -0.178 50 20 DBGD NC(=O)CSCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 735647193 UVOLTAIJTWZODE-UHFFFAOYSA-N 312.307 -0.426 50 20 DBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)O)cc1 738655406 SQBRZSRCGJFFLQ-QMMMGPOBSA-N 301.324 -0.039 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ncccn1 742520744 CYQIAYOHXJSZPW-OYBPUVFXSA-N 317.305 -0.918 50 20 DBGD CC[C@H](C(=O)NNC(=O)CS(=O)(=O)NC)c1ccccc1 751576540 ATNIACSNXWXZBP-NSHDSACASA-N 313.379 -0.123 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cncc(N2CCOCC2)c1 757878500 DMKFAKKXYLCDQQ-UHFFFAOYSA-N 307.354 -0.759 50 20 DBGD C[C@H]1CN(C)C(=O)CN1CC(=O)NNC(=O)c1ccccc1 782593218 TUVKAFHZYOYYPP-NSHDSACASA-N 304.350 -0.390 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1 802105982 NMJSIBSVTGXKIQ-UHFFFAOYSA-N 321.293 -0.231 50 20 DBGD CCC(=NNC(=O)C(N)=O)c1ccccc1OCC(=O)N(C)C 814695893 VLHTZEDJNSKVII-UHFFFAOYSA-N 320.349 -0.131 50 20 DBGD O=C(NCC1SCCS1)NNC(=O)C(=O)NC1CC1 823411126 IHASGYVFZQEIGU-UHFFFAOYSA-N 304.397 -0.599 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1=O 826063240 ZBSQVKIZJHSLOG-GARJFASQSA-N 312.370 -0.249 50 20 DBGD Nc1ncnc2c1ncn2CCC(=O)NNC(=O)C1CCC1 827216369 SNMAWONDQVGTEU-UHFFFAOYSA-N 303.326 -0.254 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)[C@@]2(O)CCOC2)cc1 840464346 FEBPAWIPPVTARA-OAHLLOKOSA-N 308.334 -0.073 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1nc2ccccc2c(=O)n1C 841395336 ILDPRVSDMLXTQU-XVKPBYJWSA-N 317.305 -0.127 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@@H]1CCCN1C(=O)C1CC1 843658465 KXIBFYHWSRTYJX-WCQGTBRESA-N 309.366 -0.040 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)Cn1nc(C)n(C)c1=O 847293647 OWUYMJWTAVBQGV-UHFFFAOYSA-N 303.322 -0.340 50 20 DBGD CNC(=S)N(C)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 854923331 RKAASOSURXETQJ-UHFFFAOYSA-N 320.396 -0.389 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 854926810 MGTXAVFWIYALLP-MRVPVSSYSA-N 308.429 -0.732 50 20 DBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(F)n2)C1 856421845 IBVOTZGXFOBOJA-MRVPVSSYSA-N 309.301 -0.228 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 861765489 SVWCVPAOFQCERY-NEPJUHHUSA-N 321.333 -0.582 50 20 DBGD CC[C@@H]1C(=O)NCCCN1C(=O)c1cc(B(O)O)ccc1F 886500916 PHRHEMCUFDBUPD-GFCCVEGCSA-N 308.118 -0.754 50 20 DBGD O=C1CN(CC(=O)NNc2cc(F)c(F)cc2F)CCN1 901167431 IHLZNWJCLBWIDG-UHFFFAOYSA-N 302.256 -0.021 50 20 DBGD O=C(CCOC[C@@H]1CCCO1)NNC(=O)CN1CCCC1=O 920432905 JERXRXOIUSLKEG-NSHDSACASA-N 313.354 -0.658 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1116743040 XHERRXFOSLBADR-SECBINFHSA-N 322.383 -0.642 50 20 DBGD NC(=O)N[C@H](CC(=O)N1CC[C@@H](B(O)O)C1)c1ccccc1 1261844360 LQALFMCRARIWOD-VXGBXAGGSA-N 305.143 -0.139 50 20 DBGD CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C(=O)NC2CC2)c1C 1317728862 OLZQACLKDQILOT-UHFFFAOYSA-N 306.322 -0.126 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CCN(C)C2=O)CC1 1321277180 HMOWUGRFSOWWGM-NSHDSACASA-N 310.398 -0.123 50 20 DBGD COC(=O)C[C@@H](C)C(=O)NNc1nc(O)c2cnn(C)c2n1 1322739502 SRSVBFJYUKOSMN-ZCFIWIBFSA-N 308.298 -0.289 50 20 DBGD COC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1326641381 AMTOJDMUJVYZEK-MRVPVSSYSA-N 307.372 -0.681 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1326788507 ZFYREMNDUGXPMF-QMMMGPOBSA-N 318.337 -0.526 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329171572 DRQWXURQRWNHNQ-QMMMGPOBSA-N 312.351 -0.966 50 20 DBGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC)c1 1337960323 DDUCGBBNNMSBGJ-UHFFFAOYSA-N 306.322 -0.068 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)C[C@@]2(O)CCNC2)cc1 1578820915 OYWHQNQIRXFBPU-HNNXBMFYSA-N 307.350 -0.040 50 20 DBGD Cc1cncc(S(=O)(=O)NN(C)C(=O)N2CCNCC2)c1 1579824626 FSVMKBAOPUGMSN-UHFFFAOYSA-N 313.383 -0.460 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C 1602949070 XNZKQNRHNYAWRL-UHFFFAOYSA-N 303.282 -0.719 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 1609092693 XWILNAUAWQPUOS-ZETCQYMHSA-N 307.318 -0.787 50 20 DBGD N#CCc1cccc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 1610624065 BTIMWBJIXVGWQO-UHFFFAOYSA-N 312.307 -0.670 50 20 DBGD COC(=O)C1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 274294501 LUQHJUSVNDPXHJ-LLVKDONJSA-N 320.301 -0.073 50 20 DBGD COc1ccc(NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)nc1 275546738 LPIHIZURCAPVFE-LLVKDONJSA-N 321.381 -0.057 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNc2cccnn2)c(=O)c1 279324083 PPCGCHSVUMNDEJ-AWEZNQCLSA-N 303.322 -0.159 50 20 DBGD CSSCCNC(=O)Cn1cc(S(N)(=O)=O)cn1 284089237 MWPMZMFMRWKKRP-UHFFFAOYSA-N 310.426 -0.342 50 20 DBGD CCO/C=C(\C#N)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 293663089 FVSOKRKKODSHJV-USKTWTLRSA-N 301.368 -0.077 50 20 DBGD O=C(NCC1CCN(C2CC2)CC1)c1cccc(B(O)O)c1 584982371 NJRGCSCOFDDHDK-UHFFFAOYSA-N 302.183 -0.029 50 20 DBGD Cc1oc(C(=O)NCB(O)O)cc1S(=O)(=O)N1CCCC1 585062018 OIMYCKQUHRTTRF-UHFFFAOYSA-N 316.144 -0.886 50 20 DBGD NC(=O)N[C@H](CC(=O)NNC(=O)c1cnn[nH]1)c1cccs1 729457149 ZWMAXLKATZHJBJ-ZCFIWIBFSA-N 323.338 -0.573 50 20 DBGD COc1ccccc1C(=O)NNC(=O)Cn1cnc([N+](=O)[O-])n1 731491016 IHPPAIXRZJAKCW-UHFFFAOYSA-N 320.265 -0.344 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2nccnc2N)C[C@@H](C)O1 732261441 CSTWZPXDMQEYEY-NXEZZACHSA-N 322.369 -0.681 50 20 DBGD CN(C)N(C(=O)CSCC(=O)O)[C@@H]1CCS(=O)(=O)C1 739614287 FDKVXHILBVVWSW-MRVPVSSYSA-N 310.397 -0.704 50 20 DBGD Cc1cc(C(=O)O)c(O)c(S(=O)(=O)NNC(=O)N(C)C)c1 745834125 MGBKZGHEAMIJJI-UHFFFAOYSA-N 317.323 -0.137 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)OC 747659794 SQZXXKBJFPFUEU-UWVGGRQHSA-N 317.411 -0.087 50 20 DBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)N2CCOCC2)c1C 764932564 BKPAEPMBJXZHAE-UHFFFAOYSA-N 309.326 -0.916 50 20 DBGD O=C1CN(CCCNS(=O)(=O)CBr)CCN1 782475470 HIUGWWDNLYHXBQ-UHFFFAOYSA-N 314.205 -0.920 50 20 DBGD CCCNC(=O)NNC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 791129069 VZYVCTDJQGKTOO-CQSZACIVSA-N 310.354 -0.352 50 20 DBGD CN(NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 819647633 QCWSJZZVZLWAOR-CQSZACIVSA-N 324.425 -0.175 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 826946460 OCXGYFSVAXVNGD-WHOHXGKFSA-N 324.381 -0.105 50 20 DBGD COc1cc(C)nc(NNC(=O)C2(S(N)(=O)=O)CC2)n1 845697904 NDJHXNYXNIMQMY-UHFFFAOYSA-N 301.328 -0.942 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCc3nnnn3CC2)n1 846053850 XCNYHRMXKDHIPY-SNVBAGLBSA-N 315.337 -0.210 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCN(C)C(=O)C1 854280410 VAAOYVDNKXSIQB-JTQLQIEISA-N 316.427 -0.271 50 20 DBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ncc(Cl)cn1 857729184 MUWAKWIZIBBFID-RCOVLWMOSA-N 313.745 -0.151 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cc(O)ncn1 862204141 NYAGFDHYIRZCDR-UHFFFAOYSA-N 323.353 -0.114 50 20 DBGD CC[C@H](OC1CCCC1)C(=O)NNC(=O)CS(C)(=O)=O 863463827 VYOSHSOWHMTQRV-JTQLQIEISA-N 306.384 -0.084 50 20 DBGD COC(=O)N(C)NC(=O)NCCC(=O)N1CCN(C)CC1 875068598 OJKNTBBUPDIVGX-UHFFFAOYSA-N 301.347 -0.937 50 20 DBGD N#CCc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1116388249 DDNJDSUXFYUZGM-LBPRGKRZSA-N 321.358 -0.052 50 20 DBGD Cn1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2F)n1 1116618901 JVNVRVSCWCZULD-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD Cc1ncccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1118202893 HOSWFGVCWYVYGC-VHSXEESVSA-N 306.322 -0.099 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)N=c2cc[nH]cc2)nn1 1118501215 IWLFZUPSTIVSCY-UHFFFAOYSA-N 304.314 -0.349 50 20 DBGD NC(=O)c1ccccc1CCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118971724 ZWPXXJNYAYZDPD-NSHDSACASA-N 318.333 -0.856 50 20 DBGD C=CCN1CCC(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1261789672 LRKPDRRMCNTDFV-NSHDSACASA-N 309.370 -0.754 50 20 DBGD Cn1ccnc(NNC(=O)CCc2ccccc2C(N)=O)c1=O 1321064982 IIJYYVHXRSASGO-UHFFFAOYSA-N 315.333 -0.045 50 20 DBGD NC(=O)c1ccc(NNC(=O)COCc2cccnc2)nn1 1346544638 VVZVGGSWXUVBEX-UHFFFAOYSA-N 302.294 -0.370 50 20 DBGD Cc1cc(N)cc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1579619815 CSJJISGFVCEUJU-NSHDSACASA-N 305.338 -0.314 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)cc(N(C)C)c1 1589882114 JXFQPQASZJQJQM-SECBINFHSA-N 319.369 -0.110 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc([S@](C)=O)cc1 1593102737 WIPUYHMPELGHSZ-QFWYVNQISA-N 313.335 -0.100 50 20 DBGD C[C@H](NNC(=O)CN1CCC[C@H](C(=O)O)C1=O)C(F)(F)F 1593318790 KDMMETCYYWEDJC-BQBZGAKWSA-N 311.260 -0.119 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)c1cc(Cl)ccc1O 1604433547 DYQDSGPMBRSCMA-MRVPVSSYSA-N 302.670 -0.094 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1604949703 IGSYXUNQPKUZBZ-UHFFFAOYSA-N 318.340 -0.180 50 20 DBGD Cn1nnnc1CCNC(=O)NNc1ccc(C(=O)O)cc1F 1608169783 LQQDHLATJSWCOQ-UHFFFAOYSA-N 323.288 -0.084 50 20 DBGD COc1cccc(NNC(=O)CN2CCS(=O)(=O)CC2)n1 272573610 WRVONBZMHZLHHQ-UHFFFAOYSA-N 314.367 -0.736 50 20 DBGD Cc1sc2ncc(C(=O)NNC(=O)C(C)(C)O)c(=O)n2c1C 276226059 IYUWZUGQOMHZLI-UHFFFAOYSA-N 324.362 -0.095 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C(=O)NCC1CC1 276582678 YFBUPXKXJZSENX-UHFFFAOYSA-N 307.306 -0.555 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 490753123 ANPDKRIFLACMTK-UHFFFAOYSA-N 322.387 -0.542 50 20 DBGD CCCCS(=O)(=O)NCC(=O)Nc1cccc(B(O)O)c1 584912093 LECWAHJSYNYPHE-UHFFFAOYSA-N 314.172 -0.976 50 20 DBGD O=C(NC[C@@H](CO)Cc1ccco1)c1ccc(B(O)O)cc1 584931478 WMPXFZPFHBLPCH-NSHDSACASA-N 303.123 -0.460 50 20 DBGD Cn1cc(CCCCNC(=O)c2ccc(B(O)O)c(F)c2)cn1 584944345 RVLSWCMNOMSYHV-UHFFFAOYSA-N 319.145 -0.008 50 20 DBGD C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(B(O)O)cc1 584945624 JIWJOLOATMUTEL-VHSXEESVSA-N 313.184 -0.740 50 20 DBGD CC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@@H](C)[S@]1=O 584988117 DWTKREZHFMYJSA-ZFXASYOHSA-N 309.196 -0.262 50 20 DBGD CCNC(=O)N1CC[C@H](NCc2ccc(B(O)O)cc2F)C1 585030604 HNEAYSNJEQPLLU-LBPRGKRZSA-N 309.150 -0.601 50 20 DBGD O=S(=O)(c1cccc2nsnc12)N1CC[C@H](B(O)O)C1 585055624 CGSOZYIACWMUNP-ZETCQYMHSA-N 313.169 -0.071 50 20 DBGD Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H](B(O)O)C3)cc12 585058286 WQUJVSNWBHTOAL-VIFPVBQESA-N 324.171 -0.486 50 20 DBGD O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585058606 KJIXOCRIHPXEHS-MRVPVSSYSA-N 300.101 -0.168 50 20 DBGD COC(=O)[C@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCO1 732200772 ORXBLZHERHQVDI-GHMZBOCLSA-N 315.370 -0.558 50 20 DBGD Cc1nn(C)cc1C(=O)NNC(=O)CNC(=O)c1cccs1 733219348 ICFHWKMEIJKNPJ-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD O=C(COC(=O)[C@H]1C[C@@H]1C(=O)O)NNC(=O)c1cccs1 739319279 IKUHYYIGOCAFIA-BQBZGAKWSA-N 312.303 -0.227 50 20 DBGD Cn1ncc2cc(C(=O)NNC(=O)N3CCOCC3)cnc21 747371560 SAWRCXMTHFWLKP-UHFFFAOYSA-N 304.310 -0.345 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1ccc(F)c(F)c1F)C(N)=O 748217292 KTRKRCFRGXYZJW-QMMMGPOBSA-N 318.255 -0.073 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1nc(-c2ccccc2)no1 751581120 XSZVEWYXDSPGTP-UHFFFAOYSA-N 311.323 -0.271 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)CO)c1 756527830 RGECXFMAZFFTDQ-UHFFFAOYSA-N 316.339 -0.952 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccnnc1 756767349 WVIOBWJEDWLEQH-UHFFFAOYSA-N 305.319 -0.271 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(OCC2CC2)cc1 764421164 GLUZHDXPOJBMER-UHFFFAOYSA-N 307.306 -0.446 50 20 DBGD Cn1cc(C(=O)NNc2nc3ccccc3[nH]2)c(=O)n(C)c1=O 768506718 FRFQNWWIVOJREQ-UHFFFAOYSA-N 314.305 -0.283 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)CCC1=O 772023343 ZCLHEAHONIYRHB-JGVFFNPUSA-N 313.310 -0.987 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNc1ncncc1Cl 781811196 BNWVHCHUSLHCSM-UHFFFAOYSA-N 312.717 -0.095 50 20 DBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802031209 FGOHPKBLLANBIU-ZJUUUORDSA-N 305.338 -0.052 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(N)=O)c(Cl)n2)cn1 806881803 QCAYSVFGXQQYQM-UHFFFAOYSA-N 322.712 -0.358 50 20 DBGD O=C(CCc1ccccc1O)NN=C1C(=O)NC(=O)NC1=O 814221441 CQEZRINEJLWJDR-UHFFFAOYSA-N 304.262 -0.837 50 20 DBGD CC1=NO[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 825274837 YWMZIXBLMSXOFP-QMMMGPOBSA-N 310.335 -0.210 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CC(=O)N(CC2CC2)C1 827273846 JFTDLWFRNPYXQY-ONGXEEELSA-N 310.354 -0.336 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)c1 833074292 ULAKFTZLNFYONX-UHFFFAOYSA-N 314.261 -0.691 50 20 DBGD Cc1nn(C)c(C)c1OCC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843653236 MSVHDXJWAQWBJA-WDEREUQCSA-N 310.354 -0.012 50 20 DBGD N#Cc1cccc(C(=O)NNS(=O)(=O)N2CCCOCC2)c1 844654100 JKQASCSTNPBYQM-UHFFFAOYSA-N 324.362 -0.240 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ncc(Cl)cn2)O1 856878249 NMJYQIFPLKPCOF-SFYZADRCSA-N 314.733 -0.211 50 20 DBGD CCn1cc(C(=O)C(=O)NN(C)C(=O)N2CCNCC2)cn1 857765448 GSHZWXUBBYAVEX-UHFFFAOYSA-N 308.342 -0.926 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H]2Cc3ccccc32)N1 858694225 JDYMYIVMWITIBH-PWSUYJOCSA-N 302.334 -0.065 50 20 DBGD CSc1nsc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 860747061 BVSOYFALEYMAFC-SCSAIBSYSA-N 316.368 -0.309 50 20 DBGD O=C(CSC[C@@H]1CCCCO1)NNC(=O)[C@H]1CCC(=O)N1 862456475 YPZJNSRYYPFDAY-VHSXEESVSA-N 315.395 -0.285 50 20 DBGD COC(=O)C12CCC(C(=O)NNC(=O)[C@H]3CCC(=O)N3)(CC1)C2 862458219 AKTHQBSFPJRWDZ-WFJJYUMRSA-N 323.349 -0.464 50 20 DBGD COc1cc(C=NNC(=O)CS(C)(=O)=O)cc(OC)c1O 863188312 BYKIZDWEVRYTOE-UHFFFAOYSA-N 316.335 -0.096 50 20 DBGD O=C(NC[C@H]1COC2(CCCC2)O1)c1cccc(B(O)O)c1 863878618 PVNTYJYKQMFTTE-ZDUSSCGKSA-N 305.139 -0.218 50 20 DBGD OCCn1ncc2c1CCC[C@H]2NCc1ccc(B(O)O)cc1 876965123 BTAAOCGIVBFSJC-OAHLLOKOSA-N 315.182 -0.278 50 20 DBGD Cn1nc(C(=O)NNC(=O)CN2CCCC2=O)cc1C1CC1 913731540 MKXYGJNRPUQXAY-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD O=C(CSc1cccc[n+]1[O-])NNC(=O)C(=O)N1CCCC1 1115925077 AMRVVJOXJDHGDY-UHFFFAOYSA-N 324.362 -0.818 50 20 DBGD C=CCNC(=S)NNC(=O)CCC[C@@]1(C)NC(=O)NC1=O 1116895862 DNLWVOGODVCMOW-GFCCVEGCSA-N 313.383 -0.564 50 20 DBGD CN(C)N(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1117717645 SIDBBEKTKKWELN-ZETCQYMHSA-N 317.327 -0.576 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CC1)C[C@@H](O)CCO2 1262344698 OQHLGYNUUAOQGP-AWEZNQCLSA-N 319.166 -0.488 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262623433 CCWZUMPBVOYICD-BIIVOSGPSA-N 311.260 -0.069 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2c([N+](=O)[O-])cnn2C)n1 1319659500 VROPLILIWNGGRZ-UHFFFAOYSA-N 321.297 -0.397 50 20 DBGD O=C(NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1cc[nH]n1 1328777788 HUIHHGSDFHDSEE-MRVPVSSYSA-N 312.351 -0.614 50 20 DBGD C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)c1cccc(F)n1 1330567515 UJHHWZQAIOLYNA-SVWIBVJCSA-N 302.331 -0.068 50 20 DBGD CNC(=S)N(C)NC(=O)C1CCC2(CC1)NC(=O)NC2=O 1334440534 LYRUPUUMKQXBFO-UHFFFAOYSA-N 313.383 -0.778 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccc(Cl)nc1 1346283612 KGXDIWMJWMZWNV-GXSJLCMTSA-N 323.784 -0.116 50 20 DBGD CCCCNC(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1590604824 YZLQNMFJNYGTCH-UHFFFAOYSA-N 318.341 -0.065 50 20 DBGD O=C(NN=C1COCCOC1)c1cccc(-c2nn[nH]n2)c1 1593155580 RFDVCWNXQNPFKA-UHFFFAOYSA-N 302.294 -0.001 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNc2ccc(C(=O)O)cn2)nn1 1593477014 FUYDFHOXTJPBFR-ZETCQYMHSA-N 306.282 -0.432 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cccn(CC(=O)O)c1=O 1594442269 PAYDFHHXVPRBRY-UHFFFAOYSA-N 319.277 -0.961 50 20 DBGD CN(NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(N)=O 272178635 LCVPIZUCQCZBCJ-MRVPVSSYSA-N 302.331 -0.336 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCCC(=O)N(C)C)n1 299136026 JBRQJJPYINEOLF-UHFFFAOYSA-N 324.385 -0.301 50 20 DBGD CN1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1=O 299692366 RSHCYTPCNOSKSV-MRVPVSSYSA-N 324.362 -0.896 50 20 DBGD CC(C)CS(=O)(=O)CCC(=O)Nc1cccc(B(O)O)c1 584910169 NHNNNOJKOXSUIS-UHFFFAOYSA-N 313.184 -0.234 50 20 DBGD CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(B(O)O)cc1 584937176 AVNYAKVTPVGDJI-LBPRGKRZSA-N 322.195 -0.640 50 20 DBGD CC[C@H](CO)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584964504 IUFYQXXPMAKKRU-GFCCVEGCSA-N 324.161 -0.966 50 20 DBGD CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(B(O)O)cc2)C1 584964938 LURZHDQFAHKVMG-UKRRQHHQSA-N 302.183 -0.077 50 20 DBGD CN1CCN(CCCCNCc2ccc(B(O)O)cc2F)CC1 585017742 JUDHQYXYDNILII-UHFFFAOYSA-N 323.221 -0.377 50 20 DBGD Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCB(O)O)c2)cc1 585060778 JXRBMXCBIUIXOC-UHFFFAOYSA-N 322.151 -0.225 50 20 DBGD NC(=O)COc1ccc(C=NNC(=O)N2CCOCC2)cc1 745590801 GBAHWDYMCIVWEL-UHFFFAOYSA-N 306.322 -0.074 50 20 DBGD COC(C)(C)CNC(=O)NNC(=O)CNC(=O)c1ccco1 745890094 OQZAYABSJVMHAZ-UHFFFAOYSA-N 312.326 -0.235 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc2cc[nH]c12 758036650 TYKDOUGISALWJQ-MRVPVSSYSA-N 324.362 -0.133 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C#N)cc1Cl 764300214 UHRVSTYYZASUEJ-UHFFFAOYSA-N 310.697 -0.056 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 770248084 RMASDHGPFGYAEJ-MRVPVSSYSA-N 316.452 -0.144 50 20 DBGD CC(C)[C@@]1(C)C[C@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 776139320 QEAABXCDKDXZPX-HOTUBEGUSA-N 305.400 -0.246 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@H]3C[C@]3(CO)C2)n1 782623064 YDGXYYCHSOXHNX-QMTHXVAHSA-N 324.406 -0.544 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@H]3C[C@@]3(CO)C2)n1 782623065 YDGXYYCHSOXHNX-YGRLFVJLSA-N 324.406 -0.544 50 20 DBGD COc1cc(F)ccc1NNC(=O)CNC(=O)CNC(C)=O 788189931 IWTCWROEKPIJNM-UHFFFAOYSA-N 312.301 -0.470 50 20 DBGD Cn1ncc(C=NNC(=O)CNC(=O)c2cccs2)c1N 814827033 RNZVIZWBWPVBRR-UHFFFAOYSA-N 306.351 -0.056 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CCN1CCN(c2ccccn2)CC1 823951572 LBZLSLWIAGOSJK-AWEZNQCLSA-N 321.425 -0.063 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NN(C)[C@H](C)CO)cc1 823988204 QCLIDXNWGPMRFZ-SNVBAGLBSA-N 315.395 -0.058 50 20 DBGD C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O 824040467 QJNPCXWOZCJENV-ZETCQYMHSA-N 310.339 -0.257 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCC(=O)NC1CC1 825721960 UINYEGWRUHMKAV-GXSJLCMTSA-N 312.370 -0.199 50 20 DBGD COC(=O)CCCNC(=S)NNC(=O)[C@H]1CCO[C@@H]1C 843276357 BJUKXRYBZODCCD-BDAKNGLRSA-N 303.384 -0.140 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)cn1 843649880 YBWVFGOJVGUPRB-SCZZXKLOSA-N 306.322 -0.373 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC(=O)N1CCOCC1 843973951 JLWSCPJHXSJETF-WDEREUQCSA-N 313.354 -0.802 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 846263806 GUHQJELOWKEPOM-LURJTMIESA-N 305.747 -0.427 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 854382506 CXQNUYPRTYIZDX-GHMZBOCLSA-N 306.370 -0.488 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C=C\c1ccc(C(N)=O)o1 855007349 UZLVMHNBYMSGJR-RPHYXHOVSA-N 307.306 -0.036 50 20 DBGD C[C@@H]1CSCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858698762 AAQSKFZCOKWZSK-DTWKUNHWSA-N 300.384 -0.309 50 20 DBGD CNC(=O)c1ccc(NC(=O)NNC(=O)CCCN)c(OC)c1 859707417 JPPAIPZEFFAMEX-UHFFFAOYSA-N 323.353 -0.054 50 20 DBGD CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452670 MWHIBJZCNAQFKY-GHMZBOCLSA-N 324.381 -0.551 50 20 DBGD C[C@@H](Oc1ccccc1)C(=O)NNC(=O)CS(C)(=O)=O 863456982 ANNRSHKMWMEZMK-SECBINFHSA-N 300.336 -0.354 50 20 DBGD CCN(CCN)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 863551432 MGKMMDRDVYCKBS-UHFFFAOYSA-N 309.326 -0.364 50 20 DBGD CC[C@H](COCC(F)(F)F)NC(=O)NNC(=O)C(=O)OC 1117812711 RIVPJXSRLOUEII-ZCFIWIBFSA-N 315.248 -0.153 50 20 DBGD O=C(CNS(=O)(=O)c1ccccc1)NNc1ncccn1 1261200819 KQRVNGMMCRQTMC-UHFFFAOYSA-N 307.335 -0.102 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)Cc1ccncc1 1318891011 CDMBHOPBSCYRJF-UHFFFAOYSA-N 319.321 -0.897 50 20 DBGD CNC(=O)NNC(=O)c1ccc(OC)c(N2CCNC2=O)c1 1319081871 ABDUJPRIAAHYLY-UHFFFAOYSA-N 307.310 -0.201 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](C(=O)NC2CC2)C1 1319536417 XWRICMZNEODJAX-MNOVXSKESA-N 310.398 -0.077 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2nccnc2c1 1320231847 DZNCQAHCEQFWJA-UHFFFAOYSA-N 303.278 -0.638 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cc(C(N)=O)ccc1F 1320232337 XPRQBGHPYUWRMO-UHFFFAOYSA-N 310.285 -0.334 50 20 DBGD COc1cccc(NC(=O)C(=O)NNC(=O)c2cnn(C)c2)c1 1320240877 KJEVNSGPPKOEIU-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1325335567 LOELNJQQEYQKRN-RCOVLWMOSA-N 307.310 -0.454 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CSc1cccc[n+]1[O-] 1326382806 PUNLPYPFSQEWRK-VHSXEESVSA-N 311.363 -0.016 50 20 DBGD C[C@@H]1COCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 1326899475 DZFDDZZRMHFOPB-MNOVXSKESA-N 312.370 -0.388 50 20 DBGD O=C(CCO)NNC(=O)Nc1cccn(CC(F)(F)F)c1=O 1337953949 USMMYVHUWFXFMZ-UHFFFAOYSA-N 322.243 -0.054 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 1342637895 REYGCURXJWQLKR-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD CCN(CCO)NC(=O)Cc1ccc(S(=O)(=O)NC)cc1 1348953439 FESVJNWJVQKMOI-UHFFFAOYSA-N 315.395 -0.517 50 20 DBGD CON1CCC(NC(=O)NNC(=O)C2CCOCC2)CC1 1349795449 BKOGGOHAVQRNJU-UHFFFAOYSA-N 300.359 -0.231 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)Cc1ccccn1 1574466200 ZGZZWDKXLKJFNI-UHFFFAOYSA-N 303.278 -0.483 50 20 DBGD Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)[C@H]1CCN1 1579874078 YHGANESAMKSKCF-LLVKDONJSA-N 317.353 -0.817 50 20 DBGD CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)O 1589497707 RITTVKSCDJNDGM-QMMMGPOBSA-N 314.342 -0.514 50 20 DBGD O=C(O)CCCCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1595032728 OHERKQYTIWCTLX-QMMMGPOBSA-N 321.355 -0.851 50 20 DBGD CSc1ccccc1S(=O)(=O)NNC(=O)NCC(=O)O 1599826229 ILPJIZCADGEWCL-UHFFFAOYSA-N 319.364 -0.014 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604840095 CFNNXYQMEAMJMD-QMMMGPOBSA-N 302.298 -0.674 50 20 DBGD O=C(c1ncon1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847566278 RYLADWHINOXUGC-XHNCKOQMSA-N 314.729 -0.515 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCC(=O)N(C)C 56558209 GSLCEMVPTIIVRC-UHFFFAOYSA-N 308.338 -0.344 50 20 DBGD Cc1nn(C)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 172155990 LQAKMEOVDOLESA-PHIMTYICSA-N 323.397 -0.011 50 20 DBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)C3CCC3)C2=O)cn1 265417315 VJNGGTNGFIDPGT-LLVKDONJSA-N 320.353 -0.344 50 20 DBGD COCCCNC(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 276753652 GXPLPLUEKNLLQA-UHFFFAOYSA-N 308.338 -0.305 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)NC(C)C 298812381 JTSSGCDLOHWEHO-SNVBAGLBSA-N 312.370 -0.551 50 20 DBGD CCOC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 490555407 AYKAHXRGPRJREM-UHFFFAOYSA-N 304.328 -0.344 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCC(=O)NC1 494741061 CDSWOEQFHKVYCN-MRVPVSSYSA-N 314.342 -0.815 50 20 DBGD CC1(Cn2cc(C(=O)Nc3cccc(B(O)O)c3)nn2)COC1 584914156 QPNKFYWPAXNQEO-UHFFFAOYSA-N 316.126 -0.753 50 20 DBGD CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584999993 VSWBMPVRDFLPCU-ZWNOBZJWSA-N 311.118 -0.713 50 20 DBGD CC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(B(O)O)ccc1F 585005849 NPGSJKZJZMBYFP-LBPRGKRZSA-N 308.118 -0.802 50 20 DBGD Nc1ccc([C@H]2CCCN2C(=O)c2cccc(B(O)O)c2)nn1 585006763 OKBZWWWIEWRQFO-CYBMUJFWSA-N 312.138 -0.284 50 20 DBGD CNC(=O)COc1ccc(CNCc2ccc(B(O)O)o2)cc1 585032601 JTYNVQLVJWZGKV-UHFFFAOYSA-N 318.138 -0.626 50 20 DBGD CN(C)N(C(=O)Cn1ccccc1=O)[C@H]1CCS(=O)(=O)C1 728180449 UJOUXKHESMKLFI-NSHDSACASA-N 313.379 -0.659 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)Cn2ccc(O)nc2=O)c1 728873586 ZSHDBDLXUQXEIS-UHFFFAOYSA-N 313.273 -0.718 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCN(C)C2=O)cc1 738332149 LOLWGJIRGWTQOW-ZDUSSCGKSA-N 318.377 -0.081 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)Cn2cnc(C(=O)O)n2)c1 739132381 NFTHUPAOVLAJAC-UHFFFAOYSA-N 314.261 -0.691 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](O)C2CC2)cc1 744990571 RPUOYTVUOOWOSM-CYBMUJFWSA-N 317.301 -0.367 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=S)NCC(=O)NC(C)C 748607062 NBIPGBYSEPYKSH-SECBINFHSA-N 320.415 -0.942 50 20 DBGD CCN(CC)C(=O)CCC(=O)NNC(=O)N1CCOCC1 755260219 HDLCIRNLGWKGSP-UHFFFAOYSA-N 300.359 -0.292 50 20 DBGD COc1cccc(C(=O)NNC(=O)N=c2nc[nH]n2C)c1O 757762864 WQTBXUCUCYHMPI-UHFFFAOYSA-N 306.282 -0.582 50 20 DBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CO)c(F)c1 764421580 NMQZLXOCLXFSON-UHFFFAOYSA-N 313.285 -0.309 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)Cn1ccccc1=O 771950611 ZLTLBYMEDCHCKW-NSHDSACASA-N 323.349 -0.027 50 20 DBGD C[C@@H](C#N)CNC(=O)NNC(=O)CNC(=O)c1cccs1 781944393 MIFOAAHXJRPQII-QMMMGPOBSA-N 309.351 -0.032 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](CO)C1 787320200 DTSBYSOCWORMAZ-GRYCIOLGSA-N 301.387 -0.350 50 20 DBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)NCc1ccccc1 787595532 SXCKRDIJFSIMNV-UHFFFAOYSA-N 319.281 -0.283 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1Cc2ccccc2O1 789857603 IRLIZPRCWMCYIM-LBPRGKRZSA-N 303.318 -0.240 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)c1cccc(C)n1 794599770 MOSMSHQLODIZMU-UHFFFAOYSA-N 317.367 -0.383 50 20 DBGD Cn1nncc1C(=O)OCC(=O)NNC(=O)c1cccs1 798797415 MBSSOCJOJXPDBF-UHFFFAOYSA-N 309.307 -0.505 50 20 DBGD CNC(=O)CSCC(=O)NNC(=O)c1ccc(C#N)cc1 799309666 KFANOERBBDIVEO-UHFFFAOYSA-N 306.347 -0.202 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CSCC(N)=O)cc1 801109403 MAURSYIAZRHBLM-UHFFFAOYSA-N 324.362 -0.701 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826423811 HWQZZTDIHIRBNX-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC2(CCNC2=O)CC1 831763131 MZXWWPJWVZHWPA-UHFFFAOYSA-N 320.129 -0.752 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2cnn(C[C@H](O)CO)c2)n1 834814691 CWTLLLDLCSVTRL-NSHDSACASA-N 319.321 -0.985 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 843645116 FCLBFIUAYKSTRT-UWVGGRQHSA-N 316.321 -0.152 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)C(=O)NC2=O 843972777 HUCULLWRGBCBSR-IONNQARKSA-N 317.301 -0.244 50 20 DBGD CCNC(=O)N(C)NC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 847687692 TXOHCYFWHDKPFA-MRVPVSSYSA-N 308.346 -0.350 50 20 DBGD O=C(NNc1ncc(Br)cn1)[C@@]1(O)CCOC1 848322495 DLZSKIHWGXZUPL-SECBINFHSA-N 303.116 -0.166 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@](C)(O)c2ccccc2)CC1 854381670 OXDOWPAJCRQOKO-HNNXBMFYSA-N 306.366 -0.118 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc(C(N)=O)o1 855007352 UZLVMHNBYMSGJR-TZGNRLRUSA-N 307.306 -0.036 50 20 DBGD COCCCn1cc(C(=O)NNC(=O)c2ncccn2)cn1 862005803 JEKNRIVEVKARMV-UHFFFAOYSA-N 304.310 -0.216 50 20 DBGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 862457439 JPEZRBUSLLPKMZ-QMMMGPOBSA-N 322.321 -0.542 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CCc3cnn(C)c3C2)nc1O 1116915454 GDZCHIOXHAZEOE-QMMMGPOBSA-N 303.326 -0.133 50 20 DBGD Cn1cncc1CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 1119275026 FFKQDPSGVWENJX-LLVKDONJSA-N 301.372 -0.699 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CO[C@@H]1CCOC1 1252547101 JMBGOGNRMRTXHR-SNVBAGLBSA-N 301.343 -0.756 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ncc(Cl)s1 1324952747 HWZGKPJNEXRMKG-YFKPBYRVSA-N 323.783 -0.008 50 20 DBGD CNCCN(C)C(=O)C(=O)NC[C@]1(C)C[C@H]1Br 1329574081 XIQCWHBHPHOEGO-KCJUWKMLSA-N 306.204 -0.046 50 20 DBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)C(=O)N2CCCC2)C1 1330514983 ILIONISCFCKCMJ-CQSZACIVSA-N 310.354 -0.985 50 20 DBGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)C(C)C)n1 1342586808 PKILFJOWNBAOED-UHFFFAOYSA-N 311.342 -0.339 50 20 DBGD O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(B(O)O)c1 1463837032 YXHWTVQUSNFSQK-UHFFFAOYSA-N 309.094 -0.201 50 20 DBGD COC(=O)[C@@H]1CNCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1 1578797695 SNYBCVLOPZGLDY-UWUHSAQLSA-N 317.349 -0.309 50 20 DBGD CCC[C@H](O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1590653807 MYYGKJPZHDHVDN-JTQLQIEISA-N 304.310 -0.211 50 20 DBGD O=C(NN=c1cc[nH]cc1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1606861884 KROVUKRRLKBALM-UHFFFAOYSA-N 324.304 -0.235 50 20 DBGD Cc1nc(C)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 273522141 SSLSRHFTGOMJBE-ZCFIWIBFSA-N 320.396 -0.541 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OCO2 274055046 JQPWEVOMZDALIL-UHFFFAOYSA-N 308.294 -0.937 50 20 DBGD CO[C@@](C)(C(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 291782587 WYGYRVULYMJVOR-CQSZACIVSA-N 309.322 -0.028 50 20 DBGD CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(B(O)O)c(F)c1 584992593 NKTQISJYSJNLNR-JTQLQIEISA-N 324.161 -0.212 50 20 DBGD CC(C)(c1nc(-c2ccc(B(O)O)cc2)no1)S(C)(=O)=O 585050851 NEVHQPRCMPYRNY-UHFFFAOYSA-N 310.140 -0.304 50 20 DBGD CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NCB(O)O)cc1 585062710 WJEIZTPNZHOLSU-VMPITWQZSA-N 312.156 -0.922 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCn1cccn1 734279371 FMMCVQOBGHIYIA-UHFFFAOYSA-N 320.309 -0.764 50 20 DBGD C[C@]1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCOC1 754871713 JKWSVURXUPOBIE-AWEZNQCLSA-N 316.321 -0.150 50 20 DBGD CCCCO[C@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758029009 HSMZJTICVPWBOE-RKDXNWHRSA-N 309.388 -0.723 50 20 DBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNc1ncccn1 777274303 JGHBDJVRQWPDFO-MNOVXSKESA-N 311.342 -0.077 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccc(O)c2)n[nH]1 779041455 RNLGMKDWJUFNEI-UHFFFAOYSA-N 317.305 -0.385 50 20 DBGD CCOC(=O)c1cc(C=NNC(=O)CN2CCCC2=O)on1 792945108 VSZIVQCSOYOGGB-UHFFFAOYSA-N 308.294 -0.076 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cc2n(n1)CCCO2 802032832 WCMBUIGYHDTKDV-UHFFFAOYSA-N 302.294 -0.051 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc3nccnc3c2)CC1 807380996 ZDWTZARCCHRZSF-UHFFFAOYSA-N 315.337 -0.373 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)C1CCN(C)CC1 814835461 RETGWMANUFMMNK-JTQLQIEISA-N 304.416 -0.242 50 20 DBGD O=C(O)CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 819492379 GCUSXDXSBHUARL-JTQLQIEISA-N 309.278 -0.369 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCS(=O)(=O)C1CC1 826974214 KBLVKSLTUOYJBU-WPRPVWTQSA-N 319.383 -0.681 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)o1 827288162 KMAQEYAZWBOGEW-DTWKUNHWSA-N 310.310 -0.012 50 20 DBGD O=C(NCC(=O)N1CCNCC1)NNc1cccc([N+](=O)[O-])c1 841919754 KNURXLSBXUZKMD-UHFFFAOYSA-N 322.325 -0.347 50 20 DBGD CCC(CC)(CO)C(=O)NNC(=O)C(=O)Nc1ccccn1 847566860 FCZOPLVXHRODCO-UHFFFAOYSA-N 308.338 -0.034 50 20 DBGD C[C@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1Br 857734582 UKBOVFHSYUYFAR-BAJZRUMYSA-N 304.144 -0.126 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@H]1CCN(CC(F)(F)F)C1 858281045 KAESSVVTVPFYDP-QMMMGPOBSA-N 320.275 -0.010 50 20 DBGD C[C@H](NNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(F)(F)F 862307586 YPFMEYYHGMNABJ-NKWVEPMBSA-N 303.306 -0.018 50 20 DBGD CO[C@](C)(C(=O)NNC(=O)c1cn[nH]c1)C(=O)OC(C)(C)C 862467489 XAVPSKSNLVWGGV-CYBMUJFWSA-N 312.326 -0.083 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N2CC(NS(C)(=O)=O)C2)cn1 862839578 CPFXMQYTKZQHSV-KMKOMSMNSA-N 309.351 -0.913 50 20 DBGD COC(=O)[C@]12CCC[C@H]1CN(CC(=O)NNC(=O)C1CC1)C2 880327652 KNWSBBHGKGNVHW-NHYWBVRUSA-N 309.366 -0.181 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)[C@@H]1CCCCO1 908516402 BCTDSDNKDHFFDU-LBPRGKRZSA-N 309.370 -0.225 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)c1nnc2ccccn12 1116182076 STOGLYGJICVNNL-SSDOTTSWSA-N 306.282 -0.706 50 20 DBGD Cn1cnc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc21 1116370682 IZMJGJQJRMLZNB-UHFFFAOYSA-N 301.306 -0.387 50 20 DBGD O=C(CCl)NCCC(=O)N1CCN(c2ncccn2)CC1 1116437972 ZBGSJGLNBYHSKM-UHFFFAOYSA-N 311.773 -0.130 50 20 DBGD O=C(NNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1cn[nH]c1 1118864425 PIGHATRYLDIDMT-QWRGUYRKSA-N 309.326 -0.356 50 20 DBGD NC(=O)CSc1ccccc1C(=O)N1CC[C@@H](B(O)O)C1 1118915638 IRIJIEPGTOWGBS-SECBINFHSA-N 308.168 -0.047 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)c1nnnn1C 1121907081 LRGNXJQYZHBZDG-MRVPVSSYSA-N 314.309 -0.213 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)C2CCOCC2)CC1 1262030307 FHMXSPYJLZFIGK-UHFFFAOYSA-N 321.399 -0.611 50 20 DBGD CCN(CC)c1ccc(CNC(=O)NNC(=O)C(=O)OC)cn1 1322253716 MWUVLOXOBACOJA-UHFFFAOYSA-N 323.353 -0.069 50 20 DBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1324219180 IATVDOXMJYSUIA-UWVGGRQHSA-N 316.383 -0.483 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1C 1329569955 NVWKLZHDUKIPAR-VXNVDRBHSA-N 302.356 -0.537 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=S)Nc1ccccn1 1329856200 SQMREULXZUFLGJ-UHFFFAOYSA-N 321.362 -0.062 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CN2CCCC2=O)c1C1CC1 1335090672 UIOKIORXLRPXIT-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD Cn1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)cc1=O 1592579710 XHXOLCKQMQQOFA-UHFFFAOYSA-N 312.293 -0.283 50 20 DBGD COCCOCC(=O)NNC(=O)Cc1ccccc1C(=O)O 1594018557 SKSFTTYEGGQVKG-UHFFFAOYSA-N 310.306 -0.262 50 20 DBGD O=C(Cc1ccccc1C(=O)O)NNC(=O)[C@H]1CCC(=O)N1 1601368444 KOUWYBUPBAQGSL-SNVBAGLBSA-N 305.290 -0.647 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1609558243 XAXFSGCDTUBSBN-UHFFFAOYSA-N 313.281 -0.522 50 20 DBGD O=C(CN1CCN(CCO)CC1)NNC(=O)c1ccc(F)cc1 72700718 SAULXQUHRAJXRC-UHFFFAOYSA-N 324.356 -0.803 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)nc1 273425218 KBOIVPPAKAPHQU-LURJTMIESA-N 319.318 -0.689 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1 278062468 YPFZRSUGXNCHKO-UHFFFAOYSA-N 311.313 -0.136 50 20 DBGD CC(=O)OC(C)(C)C(=O)NNC(=O)CNC(=O)c1cccnc1 288437796 ORRPJQXJJWSVLV-UHFFFAOYSA-N 322.321 -0.700 50 20 DBGD O=C(CC1CC1)NNC(=O)c1cnc2nc(O)nc(O)c2c1 294094774 IUVHPIWTRWGMNK-UHFFFAOYSA-N 303.278 -0.003 50 20 DBGD COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC 496073326 UYTINFJAUGSZAY-ZETCQYMHSA-N 319.314 -0.170 50 20 DBGD C[C@@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 496137223 ARXVZUSZFIMIPR-XROYCOCOSA-N 321.289 -0.529 50 20 DBGD O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584931011 WOSTYXXDTWJREA-ZDUSSCGKSA-N 320.129 -0.611 50 20 DBGD CSC[C@](C)(O)CNC(=O)c1cc(B(O)O)ccc1F 584951661 YRZYYMMYKOORLH-GFCCVEGCSA-N 301.148 -0.651 50 20 DBGD CC(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)c1nncn1C 584988054 BVMXEZBTAUKQOD-LBPRGKRZSA-N 302.143 -0.378 50 20 DBGD CC(C)(CN1CCOCC1)NC(=O)c1ccc(B(O)O)cc1 585002157 OLALGVNSVXEGTA-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CO[C@@H](CNC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCOC1 585008204 LWAWMIYNAHVSSP-MFKMUULPSA-N 311.118 -0.713 50 20 DBGD OB(O)c1ccc(CNC2CCN(C[C@@H]3CCOC3)CC2)o1 585025102 LRTJGPVLTXOUTJ-LBPRGKRZSA-N 308.187 -0.450 50 20 DBGD COC(=O)c1ccc(C(=O)NNC(=O)c2cnn(C)c2)cn1 735471124 PPYRHEKZCFUCFC-UHFFFAOYSA-N 303.278 -0.324 50 20 DBGD O=C(Cn1cccn1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 737989303 XGFCNBAREWBBRQ-UHFFFAOYSA-N 312.293 -0.476 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 753113703 AJIGXSWFVMKLNR-SECBINFHSA-N 306.388 -0.603 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccnc(N2CCCCC2)n1 768256640 UZRMJBHXUYXWMW-UHFFFAOYSA-N 307.354 -0.001 50 20 DBGD COc1cccc(NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)n1 780770762 SGBYUCYIDSVTGQ-UHFFFAOYSA-N 315.293 -0.382 50 20 DBGD COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)NNC(=O)C(C)(C)C 781958127 KEUKJWXLFQUQRZ-ONGXEEELSA-N 315.370 -0.822 50 20 DBGD CC(C)Oc1ccc(NC(=O)NNC(=O)CO)cc1C(N)=O 797677191 KYHUSQGLLRXILO-UHFFFAOYSA-N 310.310 -0.282 50 20 DBGD O=C(CN1CCC[C@@H](c2nc(O)n[nH]2)C1)NNC(=O)C1CC1 808777756 VNNHUZSHSWILML-SECBINFHSA-N 308.342 -0.753 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 816769673 QZTQUDJUZJDIEK-LDDIKCJXSA-N 316.321 -0.935 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2cncn2)nc1 843974784 OXFJPOIZERGJTC-MWLCHTKSSA-N 316.321 -0.152 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@H]1CCNC1=O 855825336 BGXRWAJEKJDXJR-VIFPVBQESA-N 312.370 -0.788 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1 858989363 BXEVAHLKAOPJOZ-SECBINFHSA-N 309.326 -0.637 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 921040921 PDTYBZXZNBPZFX-UHFFFAOYSA-N 318.355 -0.116 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNc1nc2ccccn2n1 1263795913 HWMIJWXZCBXDSG-GHMZBOCLSA-N 301.354 -0.439 50 20 DBGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)C2CCC2)CC1 1318932950 IWYMLHGFRCWBCR-UHFFFAOYSA-N 318.399 -0.459 50 20 DBGD C[C@@H](NCc1cccc(B(O)O)c1)C(=O)NCC(F)(F)F 1330602661 QAFURBWIAWODTJ-MRVPVSSYSA-N 304.077 -0.477 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 1337979942 BRAPIPHUGHETGI-UHFFFAOYSA-N 320.227 -0.431 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1cccc(F)n1 1348879910 NSUHYMLSOKIAEI-KOLCDFICSA-N 307.329 -0.630 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Cc1ccc(C(=O)O)nc1 1594646256 XLTYULBLSMHSAX-WCBMZHEXSA-N 307.306 -0.105 50 20 DBGD Cn1cnn(CC(=O)NNc2cccc(C(=O)O)c2F)c1=O 1600995358 KAHCYGGGLABOEP-UHFFFAOYSA-N 309.257 -0.438 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)cn1 1605481108 KVRSUQBWIKPCAY-PSASIEDQSA-N 310.310 -0.549 50 20 DBGD O=C(CN1CC[C@](C(=O)O)(C(F)(F)F)C1)NNC(=O)C1CC1 1610662782 QKVRATOVBPTIQH-NSHDSACASA-N 323.271 -0.117 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CO)C(=O)NN=C1CC(C(=O)O)C1 1776089983 PCMNYNBGAXYCRW-NHSZFOGYSA-N 315.326 -0.161 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)c2ccccn2)c(=O)[nH]1 31205158 ZZSXETCNMUAKIE-UHFFFAOYSA-N 301.306 -0.215 50 20 DBGD NC(=O)[C@@H](NNC(=O)CNC(=O)c1ccco1)c1ccccc1 101583376 YMAHQVYCDUWENG-ZDUSSCGKSA-N 316.317 -0.143 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H](C)N2CCN(C)CC2)n1 266874013 ARFBHBFOCPKBFJ-LLVKDONJSA-N 308.386 -0.127 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)n1 291694141 BSNJTZGRGWGUJG-JGVFFNPUSA-N 315.355 -0.456 50 20 DBGD O=C(CC(=O)Nc1cccc(B(O)O)c1)NCC(F)(F)F 584914389 WIHKPPAIJIHSKV-UHFFFAOYSA-N 304.033 -0.627 50 20 DBGD CCCCn1nnnc1CNC(=O)c1ccc(B(O)O)cc1 584949793 VBXFRYBJHNQESA-UHFFFAOYSA-N 303.131 -0.917 50 20 DBGD CC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 585006290 SUSYOAGFDQFJET-GFCCVEGCSA-N 308.118 -0.802 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCn2cncn2)n1 726710402 XMGJXWHBCOXCJP-UHFFFAOYSA-N 306.330 -0.878 50 20 DBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)C(C)C 730568767 AKSZPCMNDXJIOH-UHFFFAOYSA-N 313.383 -0.281 50 20 DBGD CCS(=O)(=O)C[C@H](C)N(C)CC(=O)NNC(=O)C1CC1 733197272 OQYWTAPPMNAVRW-VIFPVBQESA-N 305.400 -0.701 50 20 DBGD COCCCNC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 767326818 HXSWNMCPGGTNJI-UHFFFAOYSA-N 309.388 -0.433 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)cc(O)n1 775522282 WMGSMIXFMINWJC-UHFFFAOYSA-N 306.322 -0.050 50 20 DBGD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)CO 777782076 XYJWNVLQLVGSAU-UHFFFAOYSA-N 316.317 -0.188 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cccc(OCC(=O)O)c1 779817652 LQGBDYJWXOBUQP-UHFFFAOYSA-N 309.278 -0.044 50 20 DBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 786851193 OGCPHPLDEXPRNX-NXEZZACHSA-N 310.354 -0.952 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 807380571 JOHWIBWUJHARTB-SNVBAGLBSA-N 306.370 -0.497 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N(C)C2)cn1 819037139 MKAGJSCIJNEXPN-QMMMGPOBSA-N 323.378 -0.114 50 20 DBGD CCN(CCO)NC(=O)CCN1CCN(c2ccccn2)CC1 823860490 UUCWTCLLVSJXQT-UHFFFAOYSA-N 321.425 -0.061 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 844418603 KTNAGTUTALDHID-KXUCPTDWSA-N 301.343 -0.805 50 20 DBGD CCn1nnc(C)c1C=NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 853390657 HTQDVHGVQSHNEY-YPMHNXCESA-N 306.370 -0.080 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 858692972 BOURUIIYZOZQQK-LLVKDONJSA-N 306.322 -0.196 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCN1CCN(C(C)C)CC1 900618786 RUXXKPJNMFNGHU-UHFFFAOYSA-N 322.413 -0.105 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1sccc1S(=O)(=O)N(C)C 910168963 WKUMEVPQCVXGNI-MRVPVSSYSA-N 321.424 -0.044 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)o1 915059000 AIHNXRPCNNXRIX-UHFFFAOYSA-N 324.318 -0.343 50 20 DBGD CN(C)N(C(=O)CCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1115863120 QKTYSRBTPHPQSQ-GFCCVEGCSA-N 314.411 -0.155 50 20 DBGD C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)[C@@H]1CCC(=O)N1 1118861090 XLIQFKQDMSTBHO-WPRPVWTQSA-N 319.365 -0.036 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1318279972 HMUSRESDPBMMRZ-SNVBAGLBSA-N 307.331 -0.741 50 20 DBGD COC(=O)C(=O)NNC(=O)Nc1nc2nc(C)cc(C)n2n1 1319036102 PRKIARYECVOECI-UHFFFAOYSA-N 307.270 -0.933 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)S(C)(=O)=O 1319573445 VQWCDSNMMKCUKS-VIFPVBQESA-N 314.367 -0.612 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 1320551603 OZIBDNOQKAPGLW-UHFFFAOYSA-N 304.306 -0.640 50 20 DBGD CCOC(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)nc1 1324202661 UKXWUHSCWXAFKB-UHFFFAOYSA-N 322.321 -0.456 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cncc(C#N)c1 1326976440 FZCKDCKDOVDETC-LDYMZIIASA-N 310.335 -0.312 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)NCC(F)(F)F 1329700347 KVMXVIOOOUBLGX-ZETCQYMHSA-N 318.060 -0.837 50 20 DBGD Cc1noc(C)c1[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1330167541 DFJAFYFXJUNBGN-ZCFIWIBFSA-N 303.340 -0.413 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 1330168645 NMSZFRYVNWSLLH-SSDOTTSWSA-N 314.348 -0.792 50 20 DBGD COC/C(C)=C\C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1332573774 XQGPAWVGCHYMTN-RDOCRHDPSA-N 305.356 -0.903 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CNS(=O)(=O)c1ccccc1 1334203466 SNKNOGMHAUHPFL-SNVBAGLBSA-N 301.368 -0.691 50 20 DBGD Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1334930957 QGVKSUNIWXQVSA-UWVGGRQHSA-N 320.353 -0.771 50 20 DBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2cccnn2)c1 1337678165 KIIVIEHVOUDVID-UHFFFAOYSA-N 310.339 -0.188 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCCCC#N 1342333398 VLEQPEUGPDODLO-SECBINFHSA-N 304.372 -0.454 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1346442637 BGRWUWQAWUASGU-SFYZADRCSA-N 305.338 -0.439 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1cccc2c1CNC2=O 1346521788 GBKNRINNEIJZDM-UHFFFAOYSA-N 302.290 -0.574 50 20 DBGD CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)[C@@H]2CCN2)c1C 1578025453 JLONVZNHKJTBJK-VIFPVBQESA-N 308.338 -0.069 50 20 DBGD C[C@@H](C(=O)NCC(Cl)Cl)n1cnc(-c2nn[nH]n2)n1 1588980266 VVJNJFSQSXFVCF-BYPYZUCNSA-N 305.129 -0.061 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccsc1-c1nn[nH]n1 1590366050 UZENUCHSSSOONE-UHFFFAOYSA-N 302.341 -0.352 50 20 DBGD N#Cc1ccc(NNC(=O)c2cccn(CC(=O)O)c2=O)nc1 1594624231 UFVXJKKCLGWFBP-UHFFFAOYSA-N 313.273 -0.044 50 20 DBGD Cc1c(NNC(=O)C(=O)NCC(=O)N(C)C)cccc1C(=O)O 1600051724 YTBODGAIQYPMER-UHFFFAOYSA-N 322.321 -0.659 50 20 DBGD O=C(O)Cn1ccc(NC(=O)C(=O)NNc2ncccc2F)n1 1606340843 FLDRJGBQWRANQB-UHFFFAOYSA-N 322.256 -0.416 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)n2cncn2)C[C@@H](C)O1 264838404 KNQMFDSZIHQOGA-IJLUTSLNSA-N 324.385 -0.514 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(Cl)nc1 270215013 GDTXHPRKMZRRBZ-UHFFFAOYSA-N 320.758 -0.565 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 280606737 VDAPLMOWINPBIC-MNOVXSKESA-N 307.306 -0.511 50 20 DBGD C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 281575619 PAIZHQHZCLTNMM-VXGBXAGGSA-N 324.381 -0.080 50 20 DBGD CC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 286985803 CXFRNUNQYHJUJS-ZCFIWIBFSA-N 320.293 -0.841 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O 289868472 WEZSKKGVBJWZBT-NEPJUHHUSA-N 305.334 0.000 50 20 DBGD Cn1cc(N2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)cn1 584954426 HZIVNTVXJKRPOB-UHFFFAOYSA-N 314.154 -0.938 50 20 DBGD CCNC(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCC1 584981412 VRJDRFRDEOCANX-UHFFFAOYSA-N 304.155 -0.597 50 20 DBGD Cc1nc(CCN(C)C(=O)c2ccc(B(O)O)c(F)c2)no1 584989762 UROVLWQGAITYML-UHFFFAOYSA-N 307.090 -0.488 50 20 DBGD C[C@@]1(CNC(=O)c2cc(B(O)O)ccc2F)CCC(=O)NC1 585003505 MKNPHRSWILZYSK-CQSZACIVSA-N 308.118 -0.848 50 20 DBGD CN1CCN(CCCCNCc2ccc(B(O)O)cc2)CC1 585017700 ILQBZYWCOGJYCF-UHFFFAOYSA-N 305.231 -0.516 50 20 DBGD Cn1ccnc1[C@@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCO1 585044864 WLQMLDVWQUOUQA-JQWIXIFHSA-N 305.143 -0.297 50 20 DBGD O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)NCB(O)O)C1 585059794 ZLANNYFRHSXZSB-NSHDSACASA-N 318.204 -0.901 50 20 DBGD O=C(CSC[C@H]1CCCCO1)NNC(=O)C(=O)NC1CC1 727367305 JNWHSNRYRKUCJV-SNVBAGLBSA-N 315.395 -0.285 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 729275158 MHNPOQPYUXSDTD-VPOLOUISSA-N 317.411 -0.102 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CCS(=O)(=O)CC(C)C 732083139 VJGVAISRJHVCEB-UHFFFAOYSA-N 316.383 -0.060 50 20 DBGD CCN(CC)C(=O)CN(C)CC(=O)NNC(=O)C(C)(C)C 744385111 LDDPCOWTDGIOMP-UHFFFAOYSA-N 300.403 -0.020 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CN(C)CCO2)c1 746094590 AANSLJXRDLZNFY-CYBMUJFWSA-N 323.349 -0.205 50 20 DBGD CCCN1CCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749561883 HSASFZILRHCCDS-GHMZBOCLSA-N 317.411 -0.557 50 20 DBGD CN1CCO[C@H](C(=O)NNc2ccccc2S(C)(=O)=O)C1 754420286 OZGGUGOPMXYPSN-NSHDSACASA-N 313.379 -0.136 50 20 DBGD C[C@@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCOC1 758356765 MLZQVMMPEVEIGZ-CQSZACIVSA-N 306.322 -0.615 50 20 DBGD O=C(COC(=O)CCc1nc[nH]n1)NNC(=O)c1cccs1 764005592 QQVPYQBSHNFJEW-UHFFFAOYSA-N 323.334 -0.197 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cnn(CC(C)C)c1 764317427 KDMXTKBBHSSZCD-UHFFFAOYSA-N 311.342 -0.339 50 20 DBGD O=C(NNC(=O)C1CC1)c1ccc(C(=O)NNC(=O)C2CC2)o1 764514621 NHLNDSRSSXIVBC-UHFFFAOYSA-N 320.305 -0.378 50 20 DBGD CC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 768678894 RKWWCFRJZOMYSI-UHFFFAOYSA-N 301.324 -0.577 50 20 DBGD CN(C)C(=O)NNC(=O)COCCNC(=O)c1ccccc1 784641353 XPETWGKSQZZDRP-UHFFFAOYSA-N 308.338 -0.265 50 20 DBGD COc1cccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 790159561 KCIBEYWOXBWIOD-JTQLQIEISA-N 312.351 -0.090 50 20 DBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1nc2ccccn2n1 791261642 JSPUPJQWRCCCCO-KCJUWKMLSA-N 318.337 -0.552 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C 804125304 AVPOLLASLBAJSM-QMMMGPOBSA-N 302.331 -0.878 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNC(=O)C2CCC2)C1 845418820 DBVLIUCGCVAYNY-SECBINFHSA-N 304.372 -0.849 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cnc(N(C)C)cn2)CC1 848374193 CXBRLSZKLSLRNL-UHFFFAOYSA-N 307.358 -0.856 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCC(=O)N1C 854283967 RKEOVEPTGRVIHN-VIFPVBQESA-N 302.400 -0.519 50 20 DBGD C[C@H](O)c1cn(CC(=O)NNC(=S)N[C@@H](C)C2CC2)nn1 855097980 CEYISBWRHGPAEV-YUMQZZPRSA-N 312.399 -0.375 50 20 DBGD CC[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCS1 858696800 NLUDLACJGWFDMG-IUCAKERBSA-N 300.384 -0.167 50 20 DBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)N1CCOCC1 874248025 DVNUQRNHJWTNEY-UHFFFAOYSA-N 314.386 -0.582 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@]1(C)C[C@H]1Br 913433594 LBBTVMRHRFFWFI-XCBNKYQSSA-N 309.160 -0.030 50 20 DBGD Cc1nc2ccccc2n1CC(=O)NNC(=O)CS(C)(=O)=O 919703269 SVNZGRBNDJYNSK-UHFFFAOYSA-N 324.362 -0.463 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 1115910543 MVFCYMDJZMKPRZ-UHFFFAOYSA-N 314.367 -0.147 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@H]1CCS(=O)(=O)C1 1251842868 LZMGUMBTWYEBIJ-VIFPVBQESA-N 310.397 -0.652 50 20 DBGD O=C(CCN/C(O)=C1/N=CC=CC1=O)NNC(=O)c1ccc[nH]1 1252384964 YDBUFOUNGROSQT-OWBHPGMISA-N 317.305 -0.308 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(COC)on1 1318797190 LBRVGUWEMJUPCI-UHFFFAOYSA-N 312.326 -0.113 50 20 DBGD C=C[C@](C)(CCOC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1320573875 HMGMWVMIXUTHJR-GXFFZTMASA-N 318.395 -0.203 50 20 DBGD C[C@H](O)c1ncc(C(=O)NNC(=O)NC2CCNCC2)s1 1576276983 LXAZMDWVVXDRKF-ZETCQYMHSA-N 313.383 -0.108 50 20 DBGD CN(C)N(C(=O)[C@@H]1C[C@]12CCCNC2)[C@@H]1CCS(=O)(=O)C1 1578420384 IMYKOPYSRVVMCE-DYEKYZERSA-N 315.439 -0.132 50 20 DBGD CN(CC(=O)NNC(=O)CCN)C(=O)OCc1ccccc1 1578436963 VZPZEQYHHFGIHO-UHFFFAOYSA-N 308.338 -0.249 50 20 DBGD NC1(CO)CCN(CC(=O)NNC(=O)c2ccccc2)CC1 1580157151 KCLHCMQXHAWJNB-UHFFFAOYSA-N 306.366 -0.767 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1=CCCNCC1 1580551761 BNLXATQBWNOTRK-UHFFFAOYSA-N 306.322 -0.533 50 20 DBGD Cc1cc(-c2nn[nH]n2)cnc1C(=O)NNC(=O)C(C)(C)O 1591875876 QBFVLNYBDKSURL-UHFFFAOYSA-N 305.298 -0.898 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC1(C(=O)O)CC1 1601323639 ARQUYRZDKIUDRC-UHFFFAOYSA-N 324.293 -0.795 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cncc(C(=O)O)c2)N1 1602637809 IAVSMGSMXKCIQL-QMMMGPOBSA-N 307.266 -0.789 50 20 DBGD CC(C)(C)c1cnc(NC(=O)C(=O)NNC(=O)C(=O)O)s1 1609670652 JCPJUTGYCLAPJJ-UHFFFAOYSA-N 314.323 -0.389 50 20 DBGD O=C(O)Cn1cccc1C=NNC(=O)[C@H]1CCc2nncn2C1 1610800843 GRADODQSCSBGBE-JTQLQIEISA-N 316.321 -0.123 50 20 DBGD CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191248 PKCUZOYATHWXLG-QDMKHBRRSA-N 316.166 -0.362 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)Cn2ccc(=O)n(C)c2=O)n1 267079557 JYSJOGJPQIZJJI-UHFFFAOYSA-N 324.728 -0.558 50 20 DBGD O=C(CN1CCN2C(=O)NC[C@H]2C1)NNC(=O)c1ccccc1 267828684 QLEOALGMPQWLQY-LBPRGKRZSA-N 317.349 -0.843 50 20 DBGD CNC(=O)CCCC(=O)NNC(=O)COc1ccccc1O 275768999 GUQAKLSABZATBH-UHFFFAOYSA-N 309.322 -0.165 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1cccc(C)n1)C(C)C 279791373 KITRQHSRENEVMR-ZDUSSCGKSA-N 322.365 -0.062 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H]1COCCN1CC(F)F 281091530 GXVXJNFNHKQRTN-QMMMGPOBSA-N 308.354 -0.366 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCn2cccn2)C[C@@H](C)O1 295212373 QFOICXLLNLNQDF-BETUJISGSA-N 323.397 -0.080 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)NC1CCCC1 584933655 GSNORIYDELXRSJ-SECBINFHSA-N 322.145 -0.317 50 20 DBGD O=C(NC[C@@H](O)C1CCOCC1)c1ccc(B(O)O)c(F)c1 584959632 JPDJZUGHAVMBIK-CYBMUJFWSA-N 311.118 -0.977 50 20 DBGD C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584973498 AGDQBVXOCCZRFY-MWLCHTKSSA-N 311.118 -0.883 50 20 DBGD C[C@H](CN1CCOCC1)N(C)C(=O)c1ccc(B(O)O)c(F)c1 584981665 ACDIXPYIZULGCD-LLVKDONJSA-N 324.161 -0.702 50 20 DBGD CS(=O)(=O)CC1(CCNCc2ccc(B(O)O)o2)CC1 585045820 NAIUWMNKKSELQF-UHFFFAOYSA-N 301.173 -0.736 50 20 DBGD CN(CC(=O)N1CCCC1)C(=O)NNC(=O)Cc1cccnc1 729229756 NUFYCHOEWRUYEF-UHFFFAOYSA-N 319.365 -0.081 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 729275157 MHNPOQPYUXSDTD-RCWTZXSCSA-N 317.411 -0.102 50 20 DBGD O=C(NNC(=O)C1(O)CCCCC1)N[C@H]1CCS(=O)(=O)C1 754993740 KSACCAZNMBFOBJ-VIFPVBQESA-N 319.383 -0.801 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2ccncc2)n1 756647004 PFPUGVDCJWPORG-UHFFFAOYSA-N 318.293 -0.082 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](C)S(=O)(=O)CC1 759997731 AMMCXYXJGGCVEZ-VHSXEESVSA-N 305.400 -0.559 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OC)nc1C 764319548 MJVJQCNECSNWEC-UHFFFAOYSA-N 310.310 -0.479 50 20 DBGD COc1nc(N(C)C)sc1C=NNC(=O)C(=O)NC1CC1 767230246 XKIGVJPMPILRHZ-UHFFFAOYSA-N 311.367 -0.054 50 20 DBGD C#CCOc1ccccc1NC(=O)C(=O)NNC(=O)COC 773497205 SDLKRYPUZRFKPN-UHFFFAOYSA-N 305.290 -0.569 50 20 DBGD O=C(CO)NNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 777782190 WKMCZYWWVMDEMQ-UHFFFAOYSA-N 306.234 -0.398 50 20 DBGD C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CBr)CC1 782471308 DASMZXBTNYMZRH-SSDOTTSWSA-N 315.189 -0.806 50 20 DBGD COC(=O)N(C)NC(=O)COc1ccc(S(N)(=O)=O)cc1 807661434 OQEKDHNAFZXWJM-UHFFFAOYSA-N 317.323 -0.558 50 20 DBGD Cn1cncc1C(=O)NNC(=O)CNC(=O)c1cccnc1 809722668 GNKOVDZSPLOUIZ-UHFFFAOYSA-N 302.294 -0.994 50 20 DBGD CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)c1cnn(C)c1 814434981 PMGVOFVIQWKKPL-JTQLQIEISA-N 324.385 -0.084 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C 822418876 HRSLNPKULYNFLK-UHFFFAOYSA-N 315.297 -0.688 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCOCC1 825535030 XXDAWAYJJBGYLX-WDEREUQCSA-N 300.359 -0.926 50 20 DBGD C=C[C@H](O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 826120733 IAUSKZHADSFSAO-NSHDSACASA-N 305.338 -0.613 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(-n2ccnc2)nn1 843645113 FCLBFIUAYKSTRT-NXEZZACHSA-N 316.321 -0.152 50 20 DBGD CCNC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C)cc1 843774568 DCFBPJDPIWBPPU-UHFFFAOYSA-N 314.367 -0.376 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCNC2=O)c1 854191239 ADTWORUCSDZJBD-NSHDSACASA-N 305.334 -0.034 50 20 DBGD CCCN(CC)C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858477807 YAEVTYCMDUVGOT-MNOVXSKESA-N 313.402 -0.284 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H](CO)c2cccc(F)c2)N1 858695583 FWHHQNHBJHMNLS-MNOVXSKESA-N 324.312 -0.532 50 20 DBGD COc1cccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862452741 NQFQKJBTYBAHPB-NSHDSACASA-N 307.306 -0.500 50 20 DBGD Cc1cc(=NNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc[nH]1 862510405 GFPAYHWGFUHQJQ-UHFFFAOYSA-N 324.366 -0.811 50 20 DBGD CN(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C1CCC1 863898202 JARZYKMGFWLNHG-UHFFFAOYSA-N 319.365 -0.557 50 20 DBGD O=C(Cn1cccc(C(F)(F)F)c1=O)N1CC[C@@H](B(O)O)C1 864234906 YMNNCEXQTJBZIA-MRVPVSSYSA-N 318.060 -0.058 50 20 DBGD O=C(NC1CCN(CC(F)F)CC1)c1cccc(B(O)O)c1 865057110 IBDDODOSQGZXFX-UHFFFAOYSA-N 312.125 -0.174 50 20 DBGD C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 912854742 QWPCACNQNYJARL-CABZTGNLSA-N 316.317 -0.248 50 20 DBGD CCN1C[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 914717274 HOGFRBLINSSMKQ-QWRGUYRKSA-N 317.411 -0.653 50 20 DBGD COCCCNC(=O)NNC(=O)CCS(=O)(=O)CC(C)C 920862601 BMBZYOKVCOWGKV-UHFFFAOYSA-N 323.415 -0.186 50 20 DBGD CNC(=O)c1ccc(OC)c(NC(=O)NNC(=O)CCO)c1 1116609438 IEYFTYSXDKTLAZ-UHFFFAOYSA-N 310.310 -0.410 50 20 DBGD CN(C)N(C(=O)Cc1cncc(O)c1)[C@H]1CCS(=O)(=O)C1 1118706532 ODMOIUKDCHXBTD-NSHDSACASA-N 313.379 -0.178 50 20 DBGD O=C(Cc1c[nH]c2ncccc12)NNC(=O)[C@@H]1CCC(=O)N1 1118943263 MFBBONXSDGRTMP-JTQLQIEISA-N 301.306 -0.469 50 20 DBGD COc1ccnc(NNC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)n1 1123693628 BQJFVNKGNXTIHI-MNOVXSKESA-N 323.401 -0.254 50 20 DBGD COc1ccc(NC(=S)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1303284082 NPFRTYBVPGWXFO-QMMMGPOBSA-N 309.351 -0.314 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1ccc(Cl)nc1 1318510310 ZLBFMSRKSVGHLW-UHFFFAOYSA-N 314.729 -0.351 50 20 DBGD C=C[C@@](C)(CCOC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1320573876 HMGMWVMIXUTHJR-MFKMUULPSA-N 318.395 -0.203 50 20 DBGD COc1cccc(C[C@H](O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 1320618776 LXATZPACOGDDSY-ZDUSSCGKSA-N 318.333 -0.288 50 20 DBGD Cc1cscc1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1330066364 HQMJYKBBDOUXPZ-SSDOTTSWSA-N 310.335 -0.579 50 20 DBGD O=C(NCCOC[C@H]1CCOC1)NNC(=O)C1CCOCC1 1330830872 HDCDAPYHRYWMFJ-NSHDSACASA-N 315.370 -0.204 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C[C@H]1COC(=O)C1 1333781334 ZGWZBOMJCOWBNX-SECBINFHSA-N 303.384 -0.186 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c[nH]nc1C1CC1 1338900796 XMTSUHSSVCWYJB-MRVPVSSYSA-N 312.351 -0.517 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)[C@@H]1C[C@H]2CC[C@H]1O2 1574578752 NUHVXVOHDPVSEN-OPRDCNLKSA-N 312.322 -0.417 50 20 DBGD C[C@@H](O)CN(C)NC(=O)c1nnn([C@@H]2CCNC2)c1C(F)F 1576271792 IDLXHBDOCSNNHM-HTQZYQBOSA-N 318.328 -0.293 50 20 DBGD COc1ccc(C(=O)NNC(=O)C[C@H](CN)OC)c(OC)c1 1579194953 ZEVJRXZAHUZQLJ-SNVBAGLBSA-N 311.338 -0.171 50 20 DBGD COCCN(CCC(=O)O)[C@@H](C)C(=O)NNC(=O)CC(C)C 1594011041 CUFVALCFLYZROZ-NSHDSACASA-N 317.386 -0.009 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](C(=O)O)C1CCCC1 1594164419 WBFKYXOUJPLTKM-SECBINFHSA-N 306.340 -0.931 50 20 DBGD CCO/C=C(/C#N)C(=O)NC[C@]1(C(=O)O)C[C@@H]1S(C)(=O)=O 1605617680 ACSCQTOEFQYPTP-NZUXTVSVSA-N 316.335 -0.566 50 20 DBGD O=C([C@H]1CCCO1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350664 QJCBJNJBRBCFPL-WDEREUQCSA-N 316.785 -0.032 50 20 DBGD CC(=O)NNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 45843618 UOCPEGOIFCXWLB-UHFFFAOYSA-N 310.335 -0.718 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCCN(C)S(C)(=O)=O 48856469 OBTQVRHJIFRUFI-UHFFFAOYSA-N 308.404 -0.356 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCC(=O)N1CCCCC1 266995354 XMRGHHZRMAHMIV-UHFFFAOYSA-N 319.365 -0.033 50 20 DBGD Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NNC(=O)CN(C)C 277007007 PFYBBTSBKXMWBA-UHFFFAOYSA-N 318.337 -0.481 50 20 DBGD COC(=O)N(C)NC(=O)CN1CCN(c2ccccn2)CC1 286189653 CWHWDNSSNFVODJ-UHFFFAOYSA-N 307.354 -0.067 50 20 DBGD CC(C)NC(=O)CNC(=O)NNc1ccc(-n2ccnc2)nn1 286761305 UFGBFVAAVCVZNG-UHFFFAOYSA-N 318.341 -0.187 50 20 DBGD COCCOCC(=O)NNC(=O)COc1ccccc1OC 292553823 QTFPLGACVSIEOH-UHFFFAOYSA-N 312.322 -0.116 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(Cl)c1)S(C)(=O)=O 298374216 WLIYWVVNFRQCLI-UHFFFAOYSA-N 319.770 -0.008 50 20 DBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)OC)c1 490894186 JJAYNPBPNCQWAU-UHFFFAOYSA-N 323.352 -0.856 50 20 DBGD CS(=O)(=O)NCCNC(=O)/C(C#N)=C/c1ccc(O)cc1 490910088 PUUFFRUOIUOQQT-DHZHZOJOSA-N 309.347 -0.035 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](OC(F)F)C1 584987156 IQUJHJYPFRKDRK-QMMMGPOBSA-N 303.045 -0.041 50 20 DBGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCB(O)O 585056375 UANVSAZBMACZTO-NSHDSACASA-N 307.094 -0.967 50 20 DBGD COc1ccnc(NNC(=O)NCCN2CCO[C@@H](C)C2)n1 726254093 FTTIIKBVBAIWRX-JTQLQIEISA-N 310.358 -0.168 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(-n2cnnn2)cc1 739454087 PLJBIWUPOMUACI-NXEZZACHSA-N 316.277 -0.856 50 20 DBGD CN(C)C(=O)NNC(=O)c1cc2c(N(C)C)ncnc2n1C 747370277 BPDWUDQOQDGGLQ-UHFFFAOYSA-N 305.342 -0.050 50 20 DBGD COc1ccnc(NNC(=O)Cn2c(C)cc(O)cc2=O)n1 753091713 UTPPALRPKBQNCG-UHFFFAOYSA-N 305.294 -0.196 50 20 DBGD O=C(CO)NNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 753440052 PNEVXDRMZIGDMH-UHFFFAOYSA-N 305.250 -0.466 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1C 757753199 KXDDHTVTOFMSNK-MRVPVSSYSA-N 315.355 -0.684 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)c1cnsn1 762861784 PKZANAXUJKSODX-UHFFFAOYSA-N 307.339 -0.078 50 20 DBGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NN(C)C(N)=O 770439872 XOVPYTBPCKXPNV-UHFFFAOYSA-N 304.328 -0.506 50 20 DBGD COC(=O)c1cccc(NNC(=O)Cn2ccc(O)nc2=O)c1 780800358 ILOYQUCYGSXYHU-UHFFFAOYSA-N 318.289 -0.121 50 20 DBGD CC1(C)OC[C@@H](CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)O1 783274561 GTHNZVTVILSZFT-BXKDBHETSA-N 321.399 -0.481 50 20 DBGD Cc1cccc(OCC(=O)NNC(=O)NCC(=O)NCC#N)c1 804867686 XNMPWIXAELXGRO-UHFFFAOYSA-N 319.321 -0.656 50 20 DBGD Cc1c(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)cccc1[N+](=O)[O-] 830811056 ZVZWKGWRNFODDC-QMMMGPOBSA-N 307.266 -0.056 50 20 DBGD C[C@H](N)C(=O)N1CCN(S(=O)(=O)CBr)CC1 832140034 JTOOFVMPRRJHCS-ZETCQYMHSA-N 314.205 -0.840 50 20 DBGD O=C(CN1CC[C@](F)(C(=O)O)C1)NNC(=O)c1ccccc1 833107719 XVJVRWPSOVRLDF-CQSZACIVSA-N 309.297 -0.054 50 20 DBGD CO[C@@H]1COC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1 838778691 NPULPNYAOMEICT-QWHCGFSZSA-N 323.349 -0.053 50 20 DBGD Cn1cc(C=NNC(=O)CNc2ccccc2)c(=O)n(C)c1=O 839387663 AGAQFDZGCUEXCV-UHFFFAOYSA-N 315.333 -0.354 50 20 DBGD COCCN(C)S(=O)(=O)NNC(=O)c1cccc(F)n1 853050475 CCRFXBPNXOYBDL-UHFFFAOYSA-N 306.319 -0.722 50 20 DBGD C[C@@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@@H](C)S1 858695347 DJYREPZBPSHGCM-HLTSFMKQSA-N 300.384 -0.168 50 20 DBGD CN(NC(=O)CN1CC(=O)N(C)C1=O)C(=O)OC(C)(C)C 861958320 VCBVBEWHXYCVBY-UHFFFAOYSA-N 300.315 -0.222 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1[N+](=O)[O-] 862450106 ODELOHHTGGYSLA-SECBINFHSA-N 306.278 -0.057 50 20 DBGD CCc1cc(C(=O)NNC(=O)CS(C)(=O)=O)ccc1O 863466799 ZPRWLZPZFVHFGM-UHFFFAOYSA-N 300.336 -0.240 50 20 DBGD CC(C)N(CCS(C)(=O)=O)C(=O)c1cccc(B(O)O)c1 863878945 XTKIETFCICHUDA-UHFFFAOYSA-N 313.184 -0.738 50 20 DBGD CC(C)NC(=O)OC1CN(C(=O)c2cccc(B(O)O)c2)C1 863883417 ZBBBIVUIZQSGBO-UHFFFAOYSA-N 306.127 -0.675 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NC(C)=O 863998606 ITNWFWFXBGOHBV-SECBINFHSA-N 309.322 -0.254 50 20 DBGD Cc1noc([C@H](C)NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)n1 1115948484 AAXBWCWSJSHKPO-CPCISQLKSA-N 317.371 -0.180 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccnc1OC(C)C 1252438085 KMGCAECGKVWKHQ-UHFFFAOYSA-N 310.310 -0.128 50 20 DBGD Nc1nc(C2CC2)ncc1C(=O)NNC(=O)C(=O)N1CCCC1 1261669165 CSZUQPPTCDDBRR-UHFFFAOYSA-N 318.337 -0.680 50 20 DBGD NC(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 1320509994 DZABGXBXXPUCEK-UHFFFAOYSA-N 318.333 -0.400 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](n2cncn2)C1 1320565774 OPBISTGYYKJWSW-GFCCVEGCSA-N 315.337 -0.097 50 20 DBGD Cn1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1=O 1322264716 NMIQRIRCQNDXDZ-UHFFFAOYSA-N 318.289 -0.831 50 20 DBGD O=C(NNc1ncccn1)NC1CCC2(CC1)NC(=O)NC2=O 1323169103 HRSPDWUUHXRKSN-UHFFFAOYSA-N 319.325 -0.377 50 20 DBGD C=CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)OC)cc1 1323968441 RYSLROPDZOKEOV-UHFFFAOYSA-N 320.305 -0.072 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)N(C)C)c([N+](=O)[O-])n1 1324450906 QXGDHAJSFTUTOC-UHFFFAOYSA-N 306.304 -0.724 50 20 DBGD CC(C)NC(=S)NNC(=O)CCN1C(=O)CCNC1=S 1326741948 MCOAEEMGKDJUDS-UHFFFAOYSA-N 317.440 -0.613 50 20 DBGD Cc1noc(Cl)c1CCC(=O)NNC(=O)CS(C)(=O)=O 1330167557 DRZJMDXSOVCKIU-UHFFFAOYSA-N 323.758 -0.239 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCCn1cncn1 1330535129 XDCDCQDHQJTSDR-JTQLQIEISA-N 314.346 -0.950 50 20 DBGD C[C@H](NC(=S)NNC(=O)c1nccnc1C(N)=O)C1CC1 1334457470 CQDJSXNBLUSNCT-LURJTMIESA-N 308.367 -0.517 50 20 DBGD CC[C@@H]1NCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1577308832 PLVOKGCPHMVQOW-IHRRRGAJSA-N 324.425 -0.225 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCN1)N(C)C(=O)OC(C)(C)C 1579395453 QCRKRBPEVSCKEC-IUCAKERBSA-N 300.359 -0.249 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 1593909432 WTBGUQUXAZZLDH-SNVBAGLBSA-N 323.305 -0.511 50 20 DBGD CCN(CCNC(=O)NNC(=O)C(=O)O)C(=O)OC(C)(C)C 1605449315 PNMVDQNJDSDKBT-UHFFFAOYSA-N 318.330 -0.342 50 20 DBGD O=C(O)/C=C/c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)o1 1608658622 ZOLZMFHKXLFXPB-YWNRKNDBSA-N 310.262 -0.446 50 20 DBGD CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1795060809 WPAVDUHSGCEKMO-UTINFBMNSA-N 306.721 -0.301 50 20 DBGD CNC(=O)COc1ccc(C(=O)NNC(=O)C2CC2)cc1OC 52937541 AAAVTCLVRQWGQF-UHFFFAOYSA-N 321.333 -0.009 50 20 DBGD CCn1nc(C(=O)NNC(=O)CN(C)C)c2ccccc2c1=O 171350001 ABDFCMZJTNCKLA-UHFFFAOYSA-N 317.349 -0.261 50 20 DBGD CN1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2F)C1=O 265695860 OSGNGCVZYHWMOM-SNVBAGLBSA-N 324.312 -0.234 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1nc(-c2ccncc2)no1 270328168 WQZJIPYLHHRTJP-UHFFFAOYSA-N 320.309 -0.321 50 20 DBGD CSCCNC(=S)NNC(=O)Cn1cc([N+](=O)[O-])cn1 271444408 QHQMRHNKLDKGBS-UHFFFAOYSA-N 318.384 -0.350 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNc1cc(Cl)nc(N)n1 274988605 YLAXCNXDPPIZTA-UHFFFAOYSA-N 322.778 -0.563 50 20 DBGD CN(C)CC(=O)NNC(=O)C(C)(C)NC(=O)OC(C)(C)C 491488585 ODMCUDILXBEGTJ-UHFFFAOYSA-N 302.375 -0.001 50 20 DBGD COCC[C@@]1(NC(=O)c2ccc(B(O)O)c(F)c2)CCOC1 584983685 ZICJNDGZPWOCBC-CQSZACIVSA-N 311.118 -0.569 50 20 DBGD C=CCN1CC[C@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)C1=O 584985351 KWDRYYOJOJIVBH-ZDUSSCGKSA-N 320.129 -0.636 50 20 DBGD O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCB(O)O 585058888 SMPOLMTVPXBOKH-UHFFFAOYSA-N 323.202 -0.227 50 20 DBGD Nc1nccnc1C(=O)NNC(=O)COc1ccccc1O 730835994 OTDPKIGQDVQWIU-UHFFFAOYSA-N 303.278 -0.396 50 20 DBGD CCOCC(=O)NN=C1CCN(CCN2CCOCC2)CC1 731558225 NCUWKHKZOVYXSQ-UHFFFAOYSA-N 312.414 -0.077 50 20 DBGD NC(=O)CCN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1 733193409 NYFGNWBITFFISH-UHFFFAOYSA-N 318.377 -0.079 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)[C@@H]1CCOC1 748632502 DTZXKPPVBBOUJX-GMTAPVOTSA-N 303.359 -0.207 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC1CCOCC1 758043074 FCRJTAQMNJVCRV-SECBINFHSA-N 321.399 -0.722 50 20 DBGD O=C(NN=Cc1n[nH]c2cc(C(=O)O)ccc12)C(=O)NC1CC1 765564103 MRWJLKFGOUQXIW-UHFFFAOYSA-N 315.289 -0.010 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C[C@H](NC(N)=O)c1ccccc1 768259263 IJQPROVMRFWNDI-JTQLQIEISA-N 308.338 -0.296 50 20 DBGD Cc1nn(C)c(-n2cccn2)c1C(=O)NNC(=O)CN(C)C 779380151 UJBRFEWLLQIGLX-UHFFFAOYSA-N 305.342 -0.763 50 20 DBGD O=C(NN=c1cc[nH]cc1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 779836578 YGKALBJITSCXPM-STQMWFEESA-N 313.317 -0.083 50 20 DBGD CNC(=O)[C@]1(C)CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 827272907 DCMBRYSKPZAELF-GPCCPHFNSA-N 312.370 -0.390 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC23CCNCC3)n1 831172314 KCFDHPJOISIXKX-GFCCVEGCSA-N 320.397 -0.028 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)C(C)C 843650441 CJSSVDQMPKRXSO-FOGDFJRCSA-N 315.370 -0.654 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN(C)S(C)(=O)=O)C1CC1 855101700 DDMGXCLQYKWVSP-ZETCQYMHSA-N 308.429 -0.828 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 858284199 CLABDKJCEIOFCS-SNVBAGLBSA-N 307.354 -0.034 50 20 DBGD COCc1nccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 861213124 IAWYRILLZRYCAC-ZETCQYMHSA-N 308.298 -0.946 50 20 DBGD O=C(NNC(=O)[C@@H]1CCN1C1CCCC1)C(=O)N1CCCC1 874257473 ACOQVSREXYGGJC-LBPRGKRZSA-N 308.382 -0.227 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C2CN([C@@H]3CCOC3)C2)n1 895505926 YBRCNYXDCCWSKY-CYBMUJFWSA-N 321.381 -0.632 50 20 DBGD COc1cccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1OC 899570797 QNASEMBYAUROSD-VIFPVBQESA-N 315.156 -0.059 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(O)(CN(C)C)CC1 931481660 QFYFTUYWTJVPPK-NSHDSACASA-N 300.403 -0.679 50 20 DBGD Cn1nccc1[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 933543498 GZSBARDQYBNQOB-LBPRGKRZSA-N 323.397 -0.013 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1120717445 SDQNMXUQEILIIJ-PCYYEKQGSA-N 316.335 -0.771 50 20 DBGD C[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)n1cccn1 1319383158 QWUBPBGSVJGOEP-ZETCQYMHSA-N 302.298 -0.030 50 20 DBGD CS(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)CC1 1322653565 WYRZBCHXWMFWPQ-LLVKDONJSA-N 317.411 -0.557 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cn(C)nc1C(F)F 1324247916 SCGHQBCFZQCBHK-ZCFIWIBFSA-N 323.325 -0.255 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCc2ncncc2C1 1328562521 OJPBGRQTXQANEK-VIFPVBQESA-N 305.338 -0.747 50 20 DBGD Cc1cccc2c1C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N2 1579776683 PHSYMWNQCBAEFI-VXGBXAGGSA-N 302.334 -0.242 50 20 DBGD CC(C)(O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)O)c1 1590901530 BWIYLVSTTJIVOE-UHFFFAOYSA-N 309.278 -0.916 50 20 DBGD CNC(=O)CC(=O)N1CCCC12CN(C(=O)[C@@H](F)Cl)C2 1841561018 GXTVAYNITZDYPN-SNVBAGLBSA-N 305.737 -0.140 50 20 DBGD CCN(CC)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 69975431 YPHWSGGDLYRJDR-UHFFFAOYSA-N 317.353 -0.235 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 267401146 XLWHIBGWVIZAJB-SECBINFHSA-N 313.339 -0.981 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCC(=O)N1 270190913 CASWOHXCONUUIO-JTQLQIEISA-N 321.333 -0.110 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN(C)S(C)(=O)=O)nc1 270406020 YARKVZUSPBLYIY-UHFFFAOYSA-N 316.339 -0.797 50 20 DBGD COc1cc(C)nc(NNC(=O)CCn2cnccc2=O)n1 293139149 GPYUGWMIRYLYJN-UHFFFAOYSA-N 304.310 -0.116 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(c2ccncc2)CC1 584925130 DVZZYLCNIOMZLE-UHFFFAOYSA-N 311.150 -0.276 50 20 DBGD O=C(NCCCN1CCCCC1=O)c1ccc(B(O)O)c(F)c1 584940978 CQAQCXICXPSFEG-UHFFFAOYSA-N 322.145 -0.362 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN[C@H](c2cccnc2)C1 584987621 XAZKPGYSADTNOJ-HNNXBMFYSA-N 311.150 -0.452 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CCN1C(=O)CCC1=O 726141157 GJNWBXCSLQZYOY-UHFFFAOYSA-N 300.384 -0.181 50 20 DBGD CC(C)NC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)cc1 728314542 VZMBNFJXCKIGGU-UHFFFAOYSA-N 314.367 -0.385 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cn(C)nc1C 728435039 UCBXKXHNPRWUPS-SECBINFHSA-N 301.372 -0.494 50 20 DBGD NC(=O)NCc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1 729456427 KVCYHMOKNMIPSE-UHFFFAOYSA-N 303.282 -0.952 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccnc(C2CC2)n1 732629801 CWRXXPWTQIGOQC-VIFPVBQESA-N 324.362 -0.450 50 20 DBGD CN(C)C(=O)NNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 735038259 SRBGBZGLEGGOSM-UHFFFAOYSA-N 316.321 -0.113 50 20 DBGD C[C@]1(NNC(=O)NCCOC2CCC2)CCS(=O)(=O)C1 745904810 QZDJJQVKRWJNRO-LBPRGKRZSA-N 305.400 -0.064 50 20 DBGD COCCCCCNC(=O)NNC(=O)C(=O)N1CCCC1 748461136 GWTLPCZNPQXILJ-UHFFFAOYSA-N 300.359 -0.244 50 20 DBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc[nH]1 754179919 JEQRWCKSWXRONH-UHFFFAOYSA-N 312.307 -0.362 50 20 DBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NN(C)C(N)=O 778417945 ZQVZBAROCZDVRA-SSDOTTSWSA-N 312.417 -0.911 50 20 DBGD O=S(=O)(CBr)NCCS(=O)(=O)NC1CC1 782412015 RESOZGSTONJABP-UHFFFAOYSA-N 321.218 -0.660 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)n1 786694454 WSBKLROWOGRHMY-NEPJUHHUSA-N 321.381 -0.061 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1O 788023263 KAFFUJANARHHPB-JTQLQIEISA-N 312.347 -0.104 50 20 DBGD C=C(CBr)COC(=O)CN1C(=O)C(=O)N(C)C1=O 795507797 BVILZKJINCFAKI-UHFFFAOYSA-N 319.111 -0.099 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1c[nH]c(C(=O)O)c1 814835605 WONDZOMVKDJWDD-ZCFIWIBFSA-N 302.312 -0.899 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NCC(Cl)Cl 816604440 JSIODVICIUIXCM-UHFFFAOYSA-N 307.199 -0.138 50 20 DBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 827304050 OCVWVQMCBAHXBZ-QMMMGPOBSA-N 318.293 -0.466 50 20 DBGD CC(=O)N[C@@H](CCC(C)C)C(=O)NNC(=O)C(=O)NC(C)C 854291437 ZKCGZZYFYDYDIG-NSHDSACASA-N 314.386 -0.401 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1cccnc1=O 854385870 FQBPBEGMCSDMQF-UHFFFAOYSA-N 312.326 -0.820 50 20 DBGD Cc1cnn([C@@H]2CCN(C(=O)NNC(=O)[C@H]3CCC(=O)N3)C2)c1 858700718 RUMMYKVNRXTNSJ-GHMZBOCLSA-N 320.353 -0.542 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccnn2CC2CC2)N1 860971324 CZBYAUUKJXJHFE-VIFPVBQESA-N 306.326 -0.276 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)c1cn[nH]c1 862473280 MDZBESDDXPYFDL-NKWVEPMBSA-N 319.243 -0.372 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)cc2)CCN1C1CCOCC1 877077688 QZRQEBOYDVRHSI-HNNXBMFYSA-N 318.182 -0.764 50 20 DBGD O=C(NNC(=O)c1n[nH]c(O)n1)c1ccc2c(c1)OCCO2 918300977 GFAVZPKKHZTTFS-UHFFFAOYSA-N 305.250 -0.644 50 20 DBGD O=C(CN1CSCCSC1)NNC(=O)c1cccnn1 921316643 IPJMVMADRIAJJL-UHFFFAOYSA-N 313.408 -0.065 50 20 DBGD C#Cc1cncc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1116893812 XJWFCUWNUBWBRX-JTQLQIEISA-N 307.331 -0.741 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cnn(C)c2)n1 1254897574 XMMBHGCGUGUWPY-UHFFFAOYSA-N 319.325 -0.980 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)Cc1cc[nH]n1 1318312775 GQEQXTBAHOQSGH-QMMMGPOBSA-N 305.294 -0.489 50 20 DBGD CN(C)C(=O)CCNC(=O)NNc1nncc(N)c1Cl 1319406603 KGZJFRHYDLLKOH-UHFFFAOYSA-N 301.738 -0.183 50 20 DBGD O=C(NNC(=O)C1(O)CCOCC1)c1n[nH]c2c1CCCC2 1320367402 LPGRPIBDEFWKHI-UHFFFAOYSA-N 308.338 -0.409 50 20 DBGD C[S@](=O)CCNC(=O)NNc1ccc(-n2ccnc2)nn1 1326509722 RGQFRTVCJUHGPY-NRFANRHFSA-N 309.355 -0.333 50 20 DBGD COCC1(CNC(=O)NNC(=O)c2cn[nH]c2)CCOCC1 1329745972 QQNUSKUDAFQWOZ-UHFFFAOYSA-N 311.342 -0.203 50 20 DBGD C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331521896 UNMHNXCHZRYVMV-GXSJLCMTSA-N 305.338 -0.378 50 20 DBGD C[C@H](CS(C)(=O)=O)N(C)C(=O)NNC(=O)c1cn[nH]c1 1331536927 MWDPCKYRFKQMRN-SSDOTTSWSA-N 303.344 -0.871 50 20 DBGD CC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCOCC1 1336620666 WEQRGYPXIFHKPL-UHFFFAOYSA-N 312.370 -0.244 50 20 DBGD Cn1[nH]cnc1=NC(=O)C(=O)NC[C@@]1(C)C[C@H]1Br 1351155499 KXFHKCJGRRWLDT-LHLIQPBNSA-N 316.159 -0.535 50 20 DBGD CCC[C@@H]1C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)CCO1 1351665741 FXZDSONFMCACNA-NXEZZACHSA-N 306.384 -0.226 50 20 DBGD CN1C(=O)CCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1354019740 QMOWXITXPBEUHO-QWRGUYRKSA-N 317.411 -0.510 50 20 DBGD Cc1conc1CS(=O)(=O)NN(C)C(=O)N1CCNCC1 1579832690 RUFZNQPWUGAODH-UHFFFAOYSA-N 317.371 -0.726 50 20 DBGD CC1(C)NC(=O)N(CC(=O)NNc2ncccc2C(=O)O)C1=O 1589232872 YGTIIBGDKCQYFW-UHFFFAOYSA-N 321.293 -0.447 50 20 DBGD CN1C(=O)CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591164302 POBOEOYVKQXFGI-SECBINFHSA-N 316.325 -0.284 50 20 DBGD CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)C(=O)O 1595950484 ULUOTGFMHDJIKU-UHFFFAOYSA-N 323.305 -0.046 50 20 DBGD O=C(/C=C/c1cc(C(=O)O)co1)NNC(=O)[C@H]1CCC(=O)N1 1601234280 UEMHQQQSUPRYSA-FAIQTLDISA-N 307.262 -0.583 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)O[C@H](C(=O)O)C1 1603762021 UUELDDPMRFBDBX-DCAQKATOSA-N 315.370 -0.258 50 20 DBGD O=C(NNC(=O)c1ccc(C(=O)O)s1)C(=O)N1CCCC1 1608479050 JAIAMFKCWAOZFG-UHFFFAOYSA-N 311.319 -0.170 50 20 DBGD CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796362738 IWDQZBUTAYMMIN-RBLKWDMZSA-N 321.780 -0.328 50 20 DBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(C)=O)cc1 54256956 HRKPZUPHZAPSKB-UHFFFAOYSA-N 315.351 -0.608 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 266728425 WLYVERVSZHQEGT-NSHDSACASA-N 307.306 -0.504 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)c2ccccc2O)C1 269258883 AOLHKUDABWBWFZ-UHFFFAOYSA-N 308.294 -0.213 50 20 DBGD CN(NC(=O)CCN1CCN(c2ccccn2)CC1)C(N)=O 272231260 VPPXYXJUEOSHMQ-UHFFFAOYSA-N 306.370 -0.365 50 20 DBGD COC(=O)C1(CNC(=O)NNC(=O)Cc2cccnc2)CC1 274940923 BEZDINXKLSBIKY-UHFFFAOYSA-N 306.322 -0.092 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 294729354 NFSVXXGFRIJIKW-MRVPVSSYSA-N 300.315 -0.225 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1=COCCO1 299702793 WBKWTPKJLIRBGV-UHFFFAOYSA-N 311.319 -0.487 50 20 DBGD CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NN(C)C(=O)OC 495916502 XFYJSRICISLCBM-QMMMGPOBSA-N 309.344 -0.539 50 20 DBGD Cc1nc(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)n[nH]1 584939998 NMDPIGSXYNQJSS-UHFFFAOYSA-N 314.154 -0.187 50 20 DBGD C[C@]1(c2nc(-c3cccc(B(O)O)c3)no2)CCCNC1=O 585053451 KWHPRGPGXNRIRP-AWEZNQCLSA-N 301.111 -0.416 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(OCC(N)=O)cc1 732084276 VLORBGXEQTVRFU-UHFFFAOYSA-N 317.305 -0.343 50 20 DBGD CN1CC[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1=O 736858557 ZWWRPGGSALADNI-JTQLQIEISA-N 316.325 -0.277 50 20 DBGD O=C(C#Cc1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 747350245 OTBZSGWNGCSPEY-LBPRGKRZSA-N 306.343 -0.380 50 20 DBGD COCC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 753426951 MDHYEODZUCMTAT-UHFFFAOYSA-N 311.250 -0.455 50 20 DBGD O=C(NNC(=O)C1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 754975326 CQGAVURYUPGEJL-SECBINFHSA-N 304.368 -0.736 50 20 DBGD CNc1nc(C(=O)NNC(=O)CNC(=O)c2ccco2)cs1 762238011 RGDIHTLHCNBQHG-UHFFFAOYSA-N 323.334 -0.031 50 20 DBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)n(C)n1 764344926 LQWDCWZHYFHHTL-UHFFFAOYSA-N 316.321 -0.685 50 20 DBGD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NNC(=O)CO 766259736 IFQDGZLBGYXAKR-UHFFFAOYSA-N 310.266 -0.710 50 20 DBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)NCCCOC)C1 773061102 WEWHYTPKPKLTPT-JTQLQIEISA-N 300.359 -0.388 50 20 DBGD COc1ccnc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 826220954 IEDXRFJMTBWVIH-UHFFFAOYSA-N 301.270 -0.250 50 20 DBGD CNC(=O)[C@]1(C)CCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)C1 827272910 DCMBRYSKPZAELF-PKFCDNJMSA-N 312.370 -0.390 50 20 DBGD O=S(=O)(CCl)NCCS(=O)(=O)N1CCSCC1 830419119 OYDUZCSNQWHBPF-UHFFFAOYSA-N 322.861 -0.519 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843975224 QPYKOFIZELDJBX-IQJOONFLSA-N 309.322 -0.030 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCC3)o1 845737427 HEPPWWOBEWYIJG-UHFFFAOYSA-N 319.321 -0.256 50 20 DBGD O=CN1CCC[C@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 854121237 ADTMSGJXLKGLDC-NSHDSACASA-N 306.278 -0.023 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=S)N[C@H](C)C2CC2)nn1 855097977 CEYISBWRHGPAEV-HTQZYQBOSA-N 312.399 -0.375 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ncc(Cl)cn2)O1 856878250 NMJYQIFPLKPCOF-YUMQZZPRSA-N 314.733 -0.211 50 20 DBGD CN(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858310931 BKHWVWMIEVEVGF-MXWKQRLJSA-N 311.386 -0.532 50 20 DBGD CCOC[C@@H]1CCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 858697542 SQKJBNYSOIYTET-GHMZBOCLSA-N 312.370 -0.246 50 20 DBGD COCCN(C)CCCNC(=O)NNC(=O)C1CCOCC1 883139558 QGWPGQVVIVUGDF-UHFFFAOYSA-N 316.402 -0.288 50 20 DBGD CNC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 919879283 ZAXNHQVCRHQGSW-SNVBAGLBSA-N 322.300 -0.794 50 20 DBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)c1cnn(C)c1 1117498730 XQDUWZUYNQEKPB-UHFFFAOYSA-N 317.371 -0.813 50 20 DBGD COc1ccnc(NNC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)n1 1123693632 BQJFVNKGNXTIHI-WDEREUQCSA-N 323.401 -0.254 50 20 DBGD COCCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)c(C)n1 1320419112 CBAQGJPMIPAUPD-UHFFFAOYSA-N 306.326 -0.435 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2CC(=O)N(C)C2=O)cc1 1328758677 WMPFTVDMJPJEQQ-UHFFFAOYSA-N 320.305 -0.650 50 20 DBGD CS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc[nH]2)C1 1329258760 VLOFYCSAKAYSEE-VIFPVBQESA-N 314.367 -0.553 50 20 DBGD O=C(O)CN1CCCC[C@@H](NC(=O)NNc2ncccn2)C1=O 1574723254 DEUYROHONAXMHW-SECBINFHSA-N 322.325 -0.432 50 20 DBGD CNC[C@@H](O)CN(C)CC(=O)NNC(=O)c1ccc(F)cc1 1578652559 JVQMIVGDPJXAHG-GFCCVEGCSA-N 312.345 -0.901 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2NCC23CCOCC3)n1 1579585209 XTCVNJAQYJEFLX-ZDUSSCGKSA-N 321.381 -0.584 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(C)(C)O)ncc1-c1nn[nH]n1 1605621263 BITNXKHNDQROIB-UHFFFAOYSA-N 305.298 -0.898 50 20 DBGD Cc1nn(CC(=O)NNc2ccc(CC(=O)O)cc2)c(=O)n1C 1608004212 RWXZRVNEFXLWML-UHFFFAOYSA-N 319.321 -0.339 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccccn1 29122591 MXOJJYQHIBRUFV-UHFFFAOYSA-N 323.334 -0.858 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(N)=O 61491744 DUMJGCOSTJLPIF-MRVPVSSYSA-N 312.301 -0.201 50 20 DBGD CCOCCCNC(=O)NNC(=O)CNC(=O)c1ccco1 63840313 JSGBXINAGPRVEQ-UHFFFAOYSA-N 312.326 -0.234 50 20 DBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)NC1CC1 64429083 VNUODSRNXHYWMS-AOOOYVTPSA-N 308.338 -0.346 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(N(C)C)c2)C1 174434067 DXKDYGWAUURGBT-CYBMUJFWSA-N 306.366 -0.156 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CCN2CCCS2(=O)=O)o1 267749535 BVEZWGXGUFNJPO-UHFFFAOYSA-N 315.351 -0.225 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 298019484 BBJUQWYINMDAAD-UHFFFAOYSA-N 322.321 -0.188 50 20 DBGD O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)C(=O)N1CCCC1 299567708 OTMLUDMVMDHRFP-UHFFFAOYSA-N 320.305 -0.093 50 20 DBGD CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccccc2B(O)O)C1 585028813 NLGDNAVAOCUZGQ-QWHCGFSZSA-N 311.212 -0.188 50 20 DBGD O=S(=O)(CCCCl)NCCS(=O)(=O)N1CCCC1 721851823 DLVCLEPPZMWHLV-UHFFFAOYSA-N 318.848 -0.040 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C1(C(N)=O)CC1 731599285 NBDJGUUQZIVZIJ-UHFFFAOYSA-N 301.306 -0.331 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C[C@H]2CCCO2)CC1 738299217 MRGUFMUTNLRHAO-QWHCGFSZSA-N 312.414 -0.271 50 20 DBGD CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)COC 764302232 ABNHMVQZSCUNAM-UHFFFAOYSA-N 313.285 -0.043 50 20 DBGD CC[C@@H](C)n1nc(NC(=O)C(=O)NNC(=O)COC)cc1C 764302423 LQUMUXNOXFMOJX-MRVPVSSYSA-N 311.342 -0.105 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl 764422520 UDSBTWDZNQPILZ-UHFFFAOYSA-N 307.640 -0.304 50 20 DBGD COc1cccc([C@H](O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 764945199 APHLBAJEGNFHRB-LBPRGKRZSA-N 321.333 -0.502 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@H](C(N)=O)C1 787838940 UFUSSAQHEAGCRD-GUBZILKMSA-N 313.354 -0.233 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2 789734194 FWXYWJIEJIRQJJ-UHFFFAOYSA-N 312.351 -0.246 50 20 DBGD CN1CCN(C(=O)NNC(=O)C2(C(=O)NC3CC3)CCC2)CC1 807383112 KSNWGNJIHDHGQH-UHFFFAOYSA-N 323.397 -0.577 50 20 DBGD C[C@@H](CN1CCCCCC1)C(=O)NN=C1C(=O)NC(=O)NC1=O 814216818 YZZDVZLBDJPIGL-VIFPVBQESA-N 323.353 -0.663 50 20 DBGD CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CC(=O)NC(=O)N2)o1 824633100 XJMQZQAWZSXOOC-LURJTMIESA-N 306.282 -0.289 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCCC(=O)NC1CC1 825721971 UINYEGWRUHMKAV-KOLCDFICSA-N 312.370 -0.199 50 20 DBGD C[C@@H]1CCNC(=O)[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1 839592442 JWRUHHVTAWHDSY-NOZJJQNGSA-N 322.340 -0.299 50 20 DBGD C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ncccn1)CS2 843910772 ZHTBJWKYCQTENR-AMIZOPFISA-N 321.362 -0.308 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)COc2ccccc21 854927820 IXBLZUQVUBRZJJ-UHFFFAOYSA-N 308.363 -0.121 50 20 DBGD CCC[C@H](OCC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 858174757 VHRVKEJBFCVUAW-ZJUUUORDSA-N 306.384 -0.226 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)(C)CN(C)C 858289566 NGFCOUDVPLWUED-UWVGGRQHSA-N 313.402 -0.428 50 20 DBGD Cc1ccc([C@@H](O)CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 858694085 GELIJDLORVAJCR-RYUDHWBXSA-N 320.349 -0.363 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H]2[C@H]2CCCO2)N1 858701720 ZKEZNWOJSSJFBQ-OUAUKWLOSA-N 310.354 -0.351 50 20 DBGD COC(=O)c1cnn(CC(=O)NNc2nccnc2OC)c1 862003921 OYLQZWOZLLCALY-UHFFFAOYSA-N 306.282 -0.388 50 20 DBGD COc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 862450437 SVELVGCVPXEIAS-SNVBAGLBSA-N 309.297 -0.197 50 20 DBGD O=C(CN1CCc2ccccc21)NNC(=O)[C@H]1CCC(=O)N1 862453344 UAVFWNRJQAPCHK-LLVKDONJSA-N 302.334 -0.525 50 20 DBGD COC(=O)CCSCCNC(=O)c1cccc(B(O)O)c1 863882197 YTVQIFVJLSKNJO-UHFFFAOYSA-N 311.168 -0.608 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)Cn1cncn1 869738453 QVYXUZOQHUPUJB-UHFFFAOYSA-N 319.321 -0.097 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)C1 884439123 VCWQAGQBRQJPKP-FRRDWIJNSA-N 308.382 -0.161 50 20 DBGD CO[C@H](CC(=O)NNC(=O)CN1CCCC1=O)C(F)(F)F 913733357 GDNXGSVBAVQRNK-SSDOTTSWSA-N 311.260 -0.276 50 20 DBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)CC)n[nH]c1C 917721181 YMIYJFDGMBQTMV-UHFFFAOYSA-N 304.328 -0.386 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc2c(c1)OCO2 919677849 CGYIWMDCDOYFKH-UHFFFAOYSA-N 300.292 -0.779 50 20 DBGD Cc1c(NC(=O)NNC(=O)CCO)cccc1-n1cnnn1 1116610463 UTEWFBDDSKKHFR-UHFFFAOYSA-N 305.298 -0.494 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)CCO)n(C(C)(C)C)n1 1116623680 RKXOBRSHRVOOAP-UHFFFAOYSA-N 311.342 -0.585 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)c1cccnc1 1254888977 PWBFSIPYFZICLW-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCc2nnc(C)n2C1 1255117508 DHCULLYCWZIEJK-WCBMZHEXSA-N 323.353 -0.362 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CCOC1 1319172560 XCORPYJLCTVAGR-AWEZNQCLSA-N 321.337 -0.223 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1326110270 HTEWXMQMPIBSIL-VHSXEESVSA-N 303.384 -0.901 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)Cc1cccnc1 1326566032 ARJJDGLDZINSRF-UHFFFAOYSA-N 314.367 -0.611 50 20 DBGD Cc1cc(=NNC(=O)C2(S(C)(=O)=O)CCOCC2)cc[nH]1 1329079145 SJCPSUVAQFAWDC-UHFFFAOYSA-N 313.379 -0.151 50 20 DBGD Cc1ccn2c(=O)c(C(=O)N3CC[C@H](B(O)O)C3)cnc2c1 1330261656 HBRHCZOGLOXTNP-JTQLQIEISA-N 301.111 -0.308 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cn1 1452261656 QTWFVQBTWJRXDB-APPZFPTMSA-N 317.309 -0.552 50 20 DBGD C[S@@](=O)C1(C(=O)NNC(=O)Cc2ccncc2)CCNCC1 1579355083 IXHKAKZUVBEHHH-JOCHJYFZSA-N 324.406 -0.728 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)n2ncc(-c3nn[nH]n3)c2N)cn1 1592567322 WAJQNKUFFVBJGF-KRXBUXKQSA-N 310.281 -0.374 50 20 DBGD O=C(NCc1cccc(N2CCOCC2)c1)NNC(=O)C(=O)O 1601542292 FKYCNMXHLKYOJJ-UHFFFAOYSA-N 322.321 -0.562 50 20 DBGD C[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)n1cnc(-c2nn[nH]n2)n1 1603019345 DKYMBNAWJVRFAR-WHFBIAKZSA-N 319.251 -0.409 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cc(C(=O)O)c2cc[nH]c2c1 1609622346 QNNNRTXYELRUEE-UHFFFAOYSA-N 304.262 -0.028 50 20 DBGD CNCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847557697 AMRYBIBWHJJXQR-SDDRHHMPSA-N 317.817 -0.213 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCC(O)CC2)n1 21671793 UFPXDXCBMSGVKS-UHFFFAOYSA-N 312.395 -0.402 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)c2ccccc2)cn1 117821100 SJYIPKRJMAVXDC-UHFFFAOYSA-N 301.306 -0.389 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(-n2ccnn2)c1 186108829 NXHUJOUNMQJKAS-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD Nc1c(C(=O)NNC(=O)N2CCOCC2)cccc1[N+](=O)[O-] 267279325 VLKAGEXAQCYWAD-UHFFFAOYSA-N 309.282 -0.136 50 20 DBGD COc1cc(C)nc(NNC(=O)Cn2cc([C@@H](C)O)nn2)n1 268911595 VJEBCNANVDHHBX-MRVPVSSYSA-N 307.314 -0.418 50 20 DBGD COCCO[C@H](C)C(=O)NN[C@H](Cc1ccccc1)C(N)=O 273497720 XYQZPRYWNCDOSF-DGCLKSJQSA-N 309.366 -0.245 50 20 DBGD CN1CCN(C)[C@@H](CNC(=O)NNc2nc3ccccn3n2)C1 276511909 CMPLLXZXGKYNJA-NSHDSACASA-N 318.385 -0.399 50 20 DBGD C#CCN1CCC(C(=O)NNC(=O)N2CCN(C)CC2)CC1 278645722 OFMZNJKDYXZLKA-UHFFFAOYSA-N 307.398 -0.680 50 20 DBGD CNC(=O)NCCC(=O)NNC(=O)COc1ccccc1O 292964747 AQIVGTNBOUNOBI-UHFFFAOYSA-N 310.310 -0.763 50 20 DBGD CC(=O)NC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584938213 VMULZMSKIBYFOT-UHFFFAOYSA-N 308.118 -0.754 50 20 DBGD O=C(NC[C@@H](O)CN1CCCCC1)c1cc(B(O)O)ccc1F 584965283 PNOQIBVVEIHAED-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD COC[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H]1CCCO1 584983920 RMAGKXQIFZFRJA-OLZOCXBDSA-N 311.118 -0.571 50 20 DBGD O=C(NC[C@H](CO)Cc1ccncc1)c1ccc(B(O)O)cc1 584984718 BHIBEFQGOOJHKL-CYBMUJFWSA-N 314.150 -0.658 50 20 DBGD O=C(N[C@H]1C[C@@H]2CCCCN2C1)c1cc(B(O)O)ccc1F 584997998 NJYOIZOKXFPPRO-RYUDHWBXSA-N 306.146 -0.138 50 20 DBGD O=C1[C@H](NCc2ccc(B(O)O)o2)CCN1c1ccccc1 585020497 ZFZJROLDZMPHDC-CYBMUJFWSA-N 300.123 -0.146 50 20 DBGD CC1CCN(C[C@@H](O)CNCc2cccc(B(O)O)c2)CC1 585022268 VXVIXBPWRPMGOG-INIZCTEOSA-N 306.215 -0.451 50 20 DBGD CN(C)CCN1CCC(CNCc2ccc(B(O)O)o2)CC1 585022564 QUVXCVLHDYSXAS-UHFFFAOYSA-N 309.219 -0.677 50 20 DBGD COc1cc(OC)cc([C@@H](O)CNCc2ccc(B(O)O)o2)c1 585024362 VFAVNZSUJRPUCQ-AWEZNQCLSA-N 321.138 -0.200 50 20 DBGD OC[C@@H](CNCc1cccc(B(O)O)c1)CC1CCOCC1 585039274 RJFHSRAVAJFRCA-OAHLLOKOSA-N 307.199 -0.119 50 20 DBGD C[C@H]1C[C@H](c2nc(-c3ccc(B(O)O)cc3)no2)CC(=O)N1 585053298 CYMBUXGQZOVARE-WPRPVWTQSA-N 301.111 -0.202 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)C2(C(N)=O)CC2)c1 732263518 FGSGNPSUXNDIQM-UHFFFAOYSA-N 306.322 -0.480 50 20 DBGD NS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1 748829941 URZCZYNILWGRLR-UHFFFAOYSA-N 322.346 -0.122 50 20 DBGD CCCNC(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 755672609 BNUKAPJNIQIXJJ-UHFFFAOYSA-N 318.355 -0.116 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1 782012745 LGQWTLRMQDFICZ-RYUDHWBXSA-N 314.430 -0.291 50 20 DBGD COC(=O)c1cn(CC(=O)NNC(=O)c2cccc(C)n2)nn1 794088031 UZPFIQYYQJZYPD-UHFFFAOYSA-N 318.293 -0.771 50 20 DBGD CCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 798121040 KFNUIBHTWOLJCO-LLVKDONJSA-N 308.290 -0.073 50 20 DBGD CCOC(=O)C(C)(C)CC(=O)NNC(=O)C(=O)N1CCCC1 805171233 CIOKUUZEXFAZQZ-UHFFFAOYSA-N 313.354 -0.264 50 20 DBGD Cc1onc(CC(=O)NNC(=O)C(C)(C)C)c1-c1nn[nH]n1 826347993 OWNVLUCCBDJHMO-UHFFFAOYSA-N 307.314 -0.101 50 20 DBGD C[C@H](CN(C)CC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)O 827442247 HEDLHXCVHNXQBR-SNVBAGLBSA-N 318.333 -0.028 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](N2CCOC2=O)C1 852437591 ZBVXQAIHBMUIPT-JTQLQIEISA-N 312.370 -0.294 50 20 DBGD Cn1cc(C=NNC(=O)OCC(F)(F)F)c(=O)n(C)c1=O 853432086 QIINVJRXVNLDCD-UHFFFAOYSA-N 308.216 -0.294 50 20 DBGD CCC[C@@H](OCC)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 858174756 VHRVKEJBFCVUAW-VHSXEESVSA-N 306.384 -0.226 50 20 DBGD O=C(COc1ccc(F)cc1F)NNC(=O)[C@@H]1CCC(=O)N1 862451007 GQLKJKGURRRKDT-VIFPVBQESA-N 313.260 -0.230 50 20 DBGD CCOC(=O)C1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 862463355 BHAOEICDXCKFEG-VIFPVBQESA-N 311.338 -0.464 50 20 DBGD Cc1cc(=NNC(=O)CCCN2C(=O)CN(C)C2=O)cc[nH]1 862509170 GLKCRBKROVHMIY-UHFFFAOYSA-N 305.338 -0.071 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2nc(O)oc2c1 920433141 OZOCNBCMDMYASO-UHFFFAOYSA-N 318.289 -0.083 50 20 DBGD CC(C)(C(=O)NNC(=O)CN1C(=O)CNC1=O)c1ccccc1 1318330238 IMCPHIRVONGRJZ-UHFFFAOYSA-N 318.333 -0.337 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCN1CCO[C@H](C)C1 1325965805 UWVDPBFCFLWTEX-GRYCIOLGSA-N 314.386 -0.538 50 20 DBGD Cn1ccc(CC(=O)NNc2nccc(N3CCOCC3)n2)n1 1328577221 JAJWYCKHYJJIJO-UHFFFAOYSA-N 317.353 -0.268 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1cnc(N(C)C)n1C 1329244542 MQJRWZVONGLULU-MWLCHTKSSA-N 324.385 -0.259 50 20 DBGD C=CCCOCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1341185884 DKSKCTPQDKARJY-UHFFFAOYSA-N 321.337 -0.057 50 20 DBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC1(O)CNC1 1576295728 SXEMZPACDBIPNN-VIFPVBQESA-N 311.313 -0.535 50 20 DBGD NC(=O)[C@H]1C[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C1 1592734744 QSNSKOIGMVWRHI-ZKCHVHJHSA-N 317.313 -0.848 50 20 DBGD O=C(NNC(=O)c1cnsn1)c1ccc(-c2nn[nH]n2)cn1 1593159517 QREJJKVYWQQWPS-UHFFFAOYSA-N 317.294 -0.812 50 20 DBGD COCCOCC(=O)NNC(=O)C1(C(=O)O)CCSCC1 1594018263 PNVDIQPUSVEHHZ-UHFFFAOYSA-N 320.367 -0.605 50 20 DBGD O=C(CNC1(C(=O)O)CCOCC1)NNC(=O)c1ccccc1 1594696934 FHBUEYVZKNNAIG-UHFFFAOYSA-N 321.333 -0.329 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2cccc(C(=O)O)c2F)C1=O 1598558835 KLHUMOAGJJTPRJ-UHFFFAOYSA-N 324.268 -0.139 50 20 DBGD CNS(=O)(=O)NCC(=O)NNc1ccc(C)c(C(=O)O)c1 1598672150 YEMYNPVUGJUBSP-UHFFFAOYSA-N 316.339 -0.810 50 20 DBGD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NNc1cccc(F)n1 1601311766 ILQJUPCZQMBLFQ-MRVPVSSYSA-N 310.285 -0.013 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1cccc(C(=O)O)c1F 1608376794 GPKOKYNGCGIJKL-UHFFFAOYSA-N 322.252 -0.071 50 20 DBGD O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)C1 1847568155 PCFMPGGHLLFTNQ-SDDRHHMPSA-N 314.769 -0.233 50 20 DBGD O=C(CN1CCC[C@H](N2CCCC2=O)C1)NNC(=O)C1CC1 112981944 DDQLJCVLDPWOTF-LBPRGKRZSA-N 308.382 -0.369 50 20 DBGD CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CBr 127076958 AYYMIJMGSGGJCH-ZCFIWIBFSA-N 306.203 -0.213 50 20 DBGD C[C@H]1CO[C@H](CO)CN1CC(=O)NNC(=O)c1cccs1 167825790 YPQPKVMEFGVMEQ-UWVGGRQHSA-N 313.379 -0.409 50 20 DBGD CC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccccc1 182327808 MIGPEOMUYGICTE-LBPRGKRZSA-N 304.350 -0.342 50 20 DBGD N#Cc1ccc(S(=O)(=O)NCB(O)O)c(C(F)(F)F)c1 223877310 QZVPQFAEIUTDLK-UHFFFAOYSA-N 308.046 -0.133 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(N)=O)nn1 268275351 UKKGQGNUHXQFBF-SSDOTTSWSA-N 324.341 -0.068 50 20 DBGD Cc1cc(C)nc(NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)n1 272559200 ZRPMVADZCRMAPR-GXSJLCMTSA-N 307.354 -0.188 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cncnc2)C[C@@H](C)O1 273645486 DMXPZNHUNKDACK-PHIMTYICSA-N 307.354 -0.263 50 20 DBGD CN(C)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccccc1 299339944 DRVJVLWTPUFGOB-UHFFFAOYSA-N 314.367 -0.391 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)/C(C#N)=C/c1ccc(O)cc1 491127606 BMKAOSYZQOVNGR-YRNVUSSQSA-N 316.317 -0.029 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 496107768 OJZPLKZNMJRZSL-GFCCVEGCSA-N 321.333 -0.073 50 20 DBGD C[C@H]1COCCN1C[C@@H](C)NC(=O)c1cccc(B(O)O)c1 584941408 JPKUYXWORFRTCW-NEPJUHHUSA-N 306.171 -0.795 50 20 DBGD CS[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H]1N(C)C 584967324 JEDGCNLMWOLWGB-CHWSQXEVSA-N 308.212 -0.516 50 20 DBGD C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(B(O)O)cc1 584976381 IYGBKWUQCXBQPR-CYBMUJFWSA-N 319.214 -0.878 50 20 DBGD O=C(N[C@@H](CO)C1CCOCC1)c1ccc(B(O)O)c(F)c1 584984409 UTJJAHUZZMYAHW-ZDUSSCGKSA-N 311.118 -0.977 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@]2(CCOC2)O1 584984527 WBECMJQDZKAEBQ-ZUZCIYMTSA-N 323.129 -0.475 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)CCN(C2CC2)C1 584994983 QAEOBASDAGUCJL-GFCCVEGCSA-N 302.183 -0.077 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)O 736868899 NZNDMNHBOHKDGS-RXMQYKEDSA-N 304.328 -0.228 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)COC1CCOCC1 740851864 ZMMVIPDBJHESJX-UHFFFAOYSA-N 315.370 -0.366 50 20 DBGD COCCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C)C(N)=O 744398258 MZXRRSHAKBASFA-VIFPVBQESA-N 302.375 -0.998 50 20 DBGD COCCOC[C@@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 745863828 JGXYAIMQDONLFG-ZYHUDNBSSA-N 323.415 -0.581 50 20 DBGD CNC(=O)c1cc(NC(=O)NNC(=O)CO)ccc1Cl 756036879 KLBRMRSKUBSYRP-UHFFFAOYSA-N 300.702 -0.155 50 20 DBGD CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)CO)c1C1CC1 764428909 MUVQCTZIGYJVAK-MRVPVSSYSA-N 323.353 -0.190 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@@H]1COC(C)(C)O1 783268926 JIHKBTQHJDWUJW-VHSXEESVSA-N 319.358 -0.480 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1NC(=O)O[C@@H]1C 854388774 XOODWQQJBIWHKM-HTQZYQBOSA-N 303.315 -0.580 50 20 DBGD CCOc1ncccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858128544 SFWZBRYJMGEEPE-SNVBAGLBSA-N 321.337 -0.411 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC(C)C 858545043 HRBAXNNJPLECTG-UWVGGRQHSA-N 300.359 -0.344 50 20 DBGD C=CCCSCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858604133 JUWLJSLWMXNSHQ-VIFPVBQESA-N 300.384 -0.095 50 20 DBGD COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)[C@H]1CCC(=O)N1 858694637 APKQJNKLWHMLIC-DTWKUNHWSA-N 312.326 -0.967 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C12CCC2 858697533 SPPDRRQAQXJZBJ-GMTAPVOTSA-N 324.381 -0.057 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCCC1 862449698 JGRLUEZVRWOVOR-CMPLNLGQSA-N 310.354 -0.893 50 20 DBGD COC(=O)C12CCC(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)(CC1)C2 862458218 AKTHQBSFPJRWDZ-RAXBXGLRSA-N 323.349 -0.464 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCN(c2cnccn2)CC1 863188221 QMINCEPRYQEZML-UHFFFAOYSA-N 311.367 -0.406 50 20 DBGD O=C(NCc1ncc2c(n1)CCC2)c1cc(B(O)O)ccc1F 909641880 KWNVLQBATOZMHC-UHFFFAOYSA-N 315.113 -0.286 50 20 DBGD COCCNC(=S)NNC(=O)[C@H](C)CN1CCOCC1 916117636 FGCNNUSMJPXVNU-SNVBAGLBSA-N 304.416 -0.904 50 20 DBGD Cc1nnc(CNC(=O)NNC(=O)C(=O)N2CCCC2)s1 1116516385 DNADDPVCUHXWJM-UHFFFAOYSA-N 312.355 -0.701 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2CCNC(=O)C2)C[C@@H]1Br 1118819142 COGJUOHEOOROAL-WRWORJQWSA-N 318.171 -0.766 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cnc(C2CC2)nc1 1320727029 YIRNRYCKLNUJIR-UHFFFAOYSA-N 306.326 -0.015 50 20 DBGD Cn1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)n1 1321152811 XNVSXSJBJCEDMW-UHFFFAOYSA-N 319.296 -0.112 50 20 DBGD COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccn2)n1 1322517880 KARFYCRVCKMWHS-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD O=C(Cc1c[nH]c2ncccc12)NNC(=O)C(=O)NC1CC1 1323769785 NEJIMOXALZQNGR-UHFFFAOYSA-N 301.306 -0.469 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)C(C)C)cc1 1323876194 UUUGBSJFPZJMHF-UHFFFAOYSA-N 313.379 -0.059 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 1338004279 JVWOOIWWBLFCIX-UHFFFAOYSA-N 322.277 -0.267 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)C1(C(=O)O)CCOCC1 1574537761 INUWGUNNKCQKFB-UHFFFAOYSA-N 307.306 -0.347 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)[C@@H](C)N 1575416637 ZOUKSKLIVXNNCA-SKDRFNHKSA-N 310.354 -0.224 50 20 DBGD CN(NC(=O)c1cnc(C2CC2)nc1O)C(=O)N1CCNCC1 1578506521 QCUHIMQFYOKOSE-UHFFFAOYSA-N 320.353 -0.339 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)Cc1cc[nH]n1 1592499833 DWEFHYMOIJTSSY-UHFFFAOYSA-N 316.281 -0.505 50 20 DBGD O=C(O)COCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1602078143 BCPNEOISTNAJJL-JTQLQIEISA-N 310.262 -0.925 50 20 DBGD Cc1ccsc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 67181420 ZRRYFFWVQFUTEK-SSDOTTSWSA-N 305.381 -0.245 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)N1CCCc2ccc(F)cc21 126426639 HRWAQZZROLVBDO-UHFFFAOYSA-N 322.340 -0.186 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)Cn2cnc3ccccc32)CC1 264296835 JJKOGUCKRRJJSW-UHFFFAOYSA-N 315.333 -0.290 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccccc1OCC(=O)N(C)C 265059314 LNNWUFJPBCTQNO-UHFFFAOYSA-N 322.365 -0.524 50 20 DBGD CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)C(C)(C)O 276258714 MZDHHHNFAKOPSS-QMMMGPOBSA-N 303.384 -0.394 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CN(C)S(C)(=O)=O)cc1 298350567 OFDGPFYNCVESSB-UHFFFAOYSA-N 313.379 -0.099 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CN(CC)CCO1 365721814 GXROQPJPXUGQFB-LLVKDONJSA-N 314.386 -0.841 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)COc1ccccc1O 496903216 QFBPQALMGLCJSF-WRWORJQWSA-N 309.278 -0.585 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)c1nnc2n1CCC2 584932999 ADTCHLIMARAWGS-QMMMGPOBSA-N 318.117 -0.466 50 20 DBGD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584947431 PRWDSUQGGKXHFH-JSGCOSHPSA-N 318.182 -0.257 50 20 DBGD CCc1nncn1CCNC(=O)c1cc(B(O)O)ccc1F 584949006 JYMOEBXMYBLPDX-UHFFFAOYSA-N 306.106 -0.911 50 20 DBGD Cc1nnc2n1CCC[C@@H]2NC(=O)c1ccc(B(O)O)c(F)c1 584961246 SHOUHOXUUPBZIX-LBPRGKRZSA-N 318.117 -0.330 50 20 DBGD Cn1cccc1C(=O)NCCNCc1ccc(B(O)O)cc1F 585015265 VDKYKKUJEGWPLW-UHFFFAOYSA-N 319.145 -0.636 50 20 DBGD C[C@@H]1C[C@@H]1C(=O)NCCc1nc(-c2ccc(B(O)O)cc2)no1 585050934 QCHSSIIGIYUSQP-SKDRFNHKSA-N 315.138 -0.269 50 20 DBGD O=C(NCc1nc(-c2cccc(B(O)O)c2)no1)NC1CC1 585051731 LYHMDEKWKVFRHM-UHFFFAOYSA-N 302.099 -0.622 50 20 DBGD O=[N+]([O-])c1ccc(S(=O)(=O)NCB(O)O)c2ncccc12 585059230 FPEKBUPHXCTSGQ-UHFFFAOYSA-N 311.084 -0.567 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1C(=O)N(C)c2ccccc21 728437348 QQYKQFSTLDFLFY-MRVPVSSYSA-N 324.362 -0.579 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)cn1 728893586 YRGSCTKRWNFQBY-UHFFFAOYSA-N 313.317 -0.160 50 20 DBGD O=C(CCn1ccnn1)NNC(=O)COc1ccccc1O 730841487 BBSXRMGTHMVGTI-UHFFFAOYSA-N 305.294 -0.400 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)[C@H]2CCO[C@H]21 741426255 QOQNUOWKTQQVIN-OPRDCNLKSA-N 310.354 -0.591 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)Cc1cn2ccccc2n1 746765942 AYAQHGVDDSEIHT-QFIPXVFZSA-N 323.378 -0.414 50 20 DBGD O=C(NCC1CC1)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 751270613 BLVKSCXHYDOHHW-UHFFFAOYSA-N 302.312 -0.385 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 758853245 JHFLQCICGDLZSB-UHFFFAOYSA-N 318.337 -0.272 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)C(C)(C)C(N)=O)c1 770062932 UYXFCTUBOUPVIM-UHFFFAOYSA-N 307.310 -0.688 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC(C)=O)C(C)C 771860481 IQQFLHBEAOIAAV-KCJUWKMLSA-N 301.343 -0.364 50 20 DBGD CC(C)CN1CCN(CC(=O)NNC(=O)C2CC2)[C@@H](C)C1=O 778264642 GRBDZMHCZWUODF-NSHDSACASA-N 310.398 -0.268 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)c1cccc(O)c1 778756043 RYZICVOUAHMMIK-UHFFFAOYSA-N 317.305 -0.385 50 20 DBGD CN(C)C1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CCC1 783001408 RJMMWZIDAJPEKM-UHFFFAOYSA-N 311.386 -0.577 50 20 DBGD N#Cc1ncn(CCNC(=O)NNc2ccc(Cl)nn2)n1 805823734 JMMDKLZTFRMVRA-UHFFFAOYSA-N 307.705 -0.081 50 20 DBGD CO[C@@H](C)c1nsc(NC(=O)NNC(=O)CN(C)C)n1 809926521 YMUDAQJXQOGPAL-LURJTMIESA-N 302.360 -0.040 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cc(-c2nn[nH]n2)cs1 823276952 AAULBMSMCYIEFN-UHFFFAOYSA-N 323.338 -0.385 50 20 DBGD CCC[C@H](C(=O)NNC(=O)c1ccc(C)o1)S(N)(=O)=O 829831183 JJHGXKFOHRDWFW-SECBINFHSA-N 303.340 -0.194 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ccc(C(=O)OC)cc1F 837208428 ZKMOMFWDDPSVSL-UHFFFAOYSA-N 319.314 -0.395 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCCNC(=O)OC 854281339 DXBMDOQBDKXXIA-UHFFFAOYSA-N 320.415 -0.003 50 20 DBGD CO[C@@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C12CCC2 858703154 SYYHVYNASJYCLA-LPEHRKFASA-N 310.354 -0.447 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(O)cc([N+](=O)[O-])c2)N1 862457419 IZAOIRQWNKWHMJ-SECBINFHSA-N 308.250 -0.660 50 20 DBGD C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)CS(C)(=O)=O 863463931 ZMJLSBJOFYOWPZ-UWVGGRQHSA-N 306.384 -0.226 50 20 DBGD CCNc1nc(C(=O)NNC(=O)CS(C)(=O)=O)cs1 863467371 UUHWLFJNFYYOCB-UHFFFAOYSA-N 306.369 -0.620 50 20 DBGD CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1cccc(B(O)O)c1 863879428 SLPFBWQPFNYROW-HNNXBMFYSA-N 323.154 -0.811 50 20 DBGD COCCOCC(=O)NNC(=O)c1cc(C(F)(F)F)nn1C 869903921 LKGGTIFSULOLLN-UHFFFAOYSA-N 324.259 -0.137 50 20 DBGD C#CCCCC(=O)NNC(=O)CN(C)C(=O)[C@H](C)n1cccn1 887141634 BQAVRNLVCUARRH-LBPRGKRZSA-N 319.365 -0.147 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1 1261203414 ZEBPMWKHWMJWHW-UHFFFAOYSA-N 309.326 -0.580 50 20 DBGD CN(NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(N)=O 1319841540 KIPCJUVGKRDWIH-JTQLQIEISA-N 304.306 -0.453 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cccc(F)c1 1320862392 KXXWSRJKVVBGRH-UHFFFAOYSA-N 308.269 -0.810 50 20 DBGD Cc1ncnc(O)c1CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1326673764 AOLCRLMQRFKCNG-KOLCDFICSA-N 308.338 -0.004 50 20 DBGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](B(O)O)C1 1331828405 XXXQRPRVZKOQCU-JTQLQIEISA-N 323.158 -0.684 50 20 DBGD CC(C)n1nccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1332155452 CNYIBVGRJYOQQN-VHSXEESVSA-N 323.353 -0.025 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccnc2)ccn1 1342411849 SFOAYIVHVYNHBZ-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1N(C)CCCC1(C)C 1344116797 MLSNVTSSCAKOBL-VIFPVBQESA-N 300.359 -0.390 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1)[C@@H]1CC(=O)N(c2ccccc2F)C1 1580732479 DJVPHISVRZJSCR-MWLCHTKSSA-N 320.324 -0.312 50 20 DBGD CCCNC(=O)NNC(=O)c1ncc(-c2nn[nH]n2)cc1C 1590638065 BQPVMBCXRAGPHP-UHFFFAOYSA-N 304.314 -0.076 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1596862074 MPKGFYVZLMCFKG-RNKPRXRFSA-N 316.335 -0.469 50 20 DBGD O=C(NNC(=O)c1ncon1)c1csc(-c2nn[nH]n2)c1 1606854400 OCNUKFJMFHLSFV-UHFFFAOYSA-N 306.267 -0.614 50 20 DBGD O=C(CCc1ccc(C(=O)O)cc1)NNC(=O)[C@H]1CCC(=O)N1 1608316559 LNEPKRNNUNNHDM-LLVKDONJSA-N 319.317 -0.257 50 20 DBGD COCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)oc1C 1609323237 MFPTXPYCRQAOOU-UHFFFAOYSA-N 323.313 -0.251 50 20 DBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CC#N)C2 1846384474 XMGNYCYNZWTSNF-UHFFFAOYSA-N 321.381 -0.524 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C(C)C 45064323 XIFINPUNFAUSKE-VIFPVBQESA-N 316.358 -0.571 50 20 DBGD C/C=C/C[C@@H](CO)NC(=O)NNC(=O)CNC(=O)c1ccco1 274538028 FSPONFJEFIZKSG-PBKGFPTLSA-N 324.337 -0.333 50 20 DBGD CC[S@](=O)CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 278807481 ZYBUGYGQJKQSMG-FIKIJFGZSA-N 312.347 -0.258 50 20 DBGD COC(=O)[C@@H](NCC(=O)NNC(=O)c1ccccc1)C1CC1 284846885 CKHNAOXQGHUDEY-ZDUSSCGKSA-N 305.334 -0.011 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 371800514 BSOQYXHQZPIPGA-SNVBAGLBSA-N 312.370 -0.510 50 20 DBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)N(C)C)c1 490589319 DVDUKBGSCJZAIC-UHFFFAOYSA-N 324.362 -0.486 50 20 DBGD CC(C)N1C(=O)C[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1=O 491158247 DLTKZKJQMXXLEZ-CSXHZRMWSA-N 315.333 -0.021 50 20 DBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(B(O)O)c(F)c1 584936422 INNWWFGYNKKEIF-RYUDHWBXSA-N 322.145 -0.902 50 20 DBGD CC(C)C[C@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(N)=O 584944206 BQVSQHPFEXZPHE-AWEZNQCLSA-N 310.134 -0.475 50 20 DBGD Cc1c(C(=O)NCB(O)O)nnn1CCOc1ccc(F)cc1 585062712 LVZQBKQFPRFRDE-UHFFFAOYSA-N 322.105 -0.454 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(OCC#N)cc1 728434224 KGEBZASSUINTQM-JTQLQIEISA-N 324.362 -0.023 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733365268 XRFYTSYQPKYXRF-UHFFFAOYSA-N 316.321 -0.308 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNC(=O)c2ccc[nH]2)C1=O 747664044 XJDLKIWNKQRTDL-UHFFFAOYSA-N 307.310 -0.550 50 20 DBGD CC(=O)N[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C 751207265 UGGBAPORDZTFGR-GFCCVEGCSA-N 324.337 -0.683 50 20 DBGD NC(=O)Nc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1 755280795 BLPHGNJWQJDJBU-UHFFFAOYSA-N 302.294 -0.096 50 20 DBGD COC[C@H](C)CC(=O)NNC(=O)CNC(=O)c1cccnc1 763823441 BZZUDCGEZKHGLM-SNVBAGLBSA-N 308.338 -0.369 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)Cn2cnc(C#N)n2)c1 769076732 NRWBPBALPMSKLT-UHFFFAOYSA-N 313.321 -0.323 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2nncn2c1 772064143 KJZVJFZWYBYZBR-MRVPVSSYSA-N 305.294 -0.168 50 20 DBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CO1 784153883 FOABAQXLZBNZDC-MWLCHTKSSA-N 306.322 -0.616 50 20 DBGD CNc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 795956653 FMLJABKJJCWGBO-UHFFFAOYSA-N 317.305 -0.093 50 20 DBGD C[C@H]1CCNC(=O)[C@@H]1NCC(=O)NNC(=O)c1cccs1 799346210 ZDYPYCOCIQFFHV-GZMMTYOYSA-N 310.379 -0.377 50 20 DBGD CC(C)NS(=O)(=O)CCNC(=O)NNc1ncncc1F 814296621 IGOWMIRHGLZBQR-UHFFFAOYSA-N 320.350 -0.430 50 20 DBGD O=C(Cn1cc(Br)ccc1=O)NNc1nc[nH]n1 816631734 CERUSTWZDQOILX-UHFFFAOYSA-N 313.115 -0.128 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)CCOCC2CC2)cn1 818049216 BCHRXZCNYLJEHL-UHFFFAOYSA-N 302.356 -0.589 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 823939286 IIDFDGYYLUWRLO-VIFPVBQESA-N 318.399 -0.767 50 20 DBGD C[C@H](CO)N(C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 823993133 LQQDXQVMYYBPPR-UTUOFQBUSA-N 311.382 -0.105 50 20 DBGD C=C[C@@](C)(O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 826121799 UZNWZXMWGUTHDZ-OAHLLOKOSA-N 319.365 -0.223 50 20 DBGD Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)c1cnn[nH]1 826249707 PRACERAYCQJHKA-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CN(C)C(=O)NC1CCN(C(=O)c2cccc(B(O)O)c2)CC1 827869049 DSKGGWMLSJHWQA-UHFFFAOYSA-N 319.170 -0.758 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 843782962 BYMSDZFELMSQIC-QMMMGPOBSA-N 309.347 -0.006 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)nc1 860445829 FGGUILDEAZDTSC-BDAKNGLRSA-N 308.294 -0.656 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNCC(F)(F)C(F)(F)F 863099970 RBNRIEMRNUTALE-LURJTMIESA-N 321.246 -0.062 50 20 DBGD CCC[C@](C)(NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC 863871148 BDGXHUNEGKMCSN-AWEZNQCLSA-N 311.118 -0.033 50 20 DBGD CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(B(O)O)ccc1F 863876146 OZABOCFEVLSGHL-SECBINFHSA-N 311.118 -0.082 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H](NC=O)C(C)C)c1 863898119 BDNBNSVJJOXMNR-LBPRGKRZSA-N 321.337 -0.428 50 20 DBGD CCNc1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 863935877 WLUROAFZGAZWDY-SSDOTTSWSA-N 311.367 -0.077 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCO[C@H](C(F)F)C1 868097606 LYMDZZSRVAJMMX-JTQLQIEISA-N 303.045 -0.388 50 20 DBGD NC(=O)[C@@H]1C[C@@H]1C(=O)NNC(=S)NCCc1cccs1 900050497 GRGKSYXPCPLHDC-BDAKNGLRSA-N 312.420 -0.093 50 20 DBGD C[C@H](O)CN(C)NC(=O)COCCNC(=O)c1ccccc1 910152630 RBRWNLKCRHZWOU-LBPRGKRZSA-N 309.366 -0.223 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H](C)OC[C@H]1CCCO1 921028052 RLFISLZIMHZXFI-WDEREUQCSA-N 303.359 -0.063 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ncc(COC)s1 1117433206 BUXGSBDPUUGOMN-UHFFFAOYSA-N 315.355 -0.080 50 20 DBGD CCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 1254785278 RBQBDDLPDKQLRZ-GHMZBOCLSA-N 311.342 -0.442 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccnc(-n2cccn2)c1 1323085633 PLIAHYNDNRZUDY-UHFFFAOYSA-N 316.321 -0.447 50 20 DBGD O=C(CCc1cnc[nH]1)NNC(=O)CNC(=O)c1ccco1 1324985071 KWCUDPUDSURAPF-UHFFFAOYSA-N 305.294 -0.487 50 20 DBGD Cn1cc(C(=O)NNC(=O)CC2CC2)c(=O)c2cnn(C)c21 1327914193 RYBWFANGFWWSNX-UHFFFAOYSA-N 303.322 -0.167 50 20 DBGD NS(=O)(=O)CCCCCC(=O)NNC(=O)NCC1CC1 1332572365 JWUGNXQSWSQMQH-UHFFFAOYSA-N 306.388 -0.424 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cn([C@H]2CCCNCC2)nn1 1333635762 LOBALKZXQDLOKN-JTQLQIEISA-N 309.374 -0.101 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H](C(=O)O)O1)c1n[nH]c2c1CCCC2 1343378968 YUTQVZJMDSKBNT-NXEZZACHSA-N 322.321 -0.318 50 20 DBGD CO[C@@H]1CN[C@@](C)(C(=O)NNc2nncc(N)c2Cl)C1 1573960283 IENDZLUNUYAVEB-UPONEAKYSA-N 300.750 -0.078 50 20 DBGD N[C@H](CO)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 1574264302 OHLCZGKPSKHJLM-GFCCVEGCSA-N 319.317 -0.061 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1591272508 JQDUGRRZFXZMAS-UHFFFAOYSA-N 312.311 -0.242 50 20 DBGD COc1ccc(CCNC(=O)NNC(=O)C(=O)O)c(OC)c1 1599554773 RZWPUVOIMCMPHN-UHFFFAOYSA-N 311.294 -0.339 50 20 DBGD Cn1cc(C(=O)O)c(NC(=O)NNC(=O)[C@@H]2CCCCO2)n1 1600936584 XJHPAUHUUDAREA-QMMMGPOBSA-N 311.298 -0.160 50 20 DBGD N#Cc1ccc([C@@H](NNC(=O)[C@H]2CCC(=O)N2)C(=O)O)cc1 1601096630 HIJAMCQGWUUSQR-ZYHUDNBSSA-N 302.290 -0.417 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)NCCNC(C)=O 54040485 ASMQIELMCFTOOD-UHFFFAOYSA-N 324.337 -0.460 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)COCc2ccccc2)C1=O 265848148 YNXJINGBINIEOG-LBPRGKRZSA-N 320.349 -0.236 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNC(=O)CC(C)C)nn1 284237881 OWCKEWMCSTXYPB-UHFFFAOYSA-N 312.330 -0.559 50 20 DBGD COC(=O)[C@H](NCC(=O)NNC(=O)c1ccccc1)C1CC1 284846882 CKHNAOXQGHUDEY-CYBMUJFWSA-N 305.334 -0.011 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 495367011 LYNNPYKMZMRIFR-UHFFFAOYSA-N 318.293 -0.017 50 20 DBGD CCNC(=O)C1(NC(=O)c2cc(B(O)O)ccc2F)CCCC1 584980134 RJWUWQLUUAVOPI-UHFFFAOYSA-N 322.145 -0.316 50 20 DBGD CNC(=O)CC[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584989462 OQLJNLFIROGIGZ-CQSZACIVSA-N 318.182 -0.113 50 20 DBGD O=C(NCB(O)O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 585059721 YDRURXDRGPIQAA-JTQLQIEISA-N 320.110 -0.852 50 20 DBGD O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CC[C@H](B(O)O)C1 585074216 KGOLIYRYSAUSPE-JOYOIKCWSA-N 304.111 -0.149 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)COc1ccccc1F 735088125 DMFMBOHEAMNXAT-NRFANRHFSA-N 317.342 -0.087 50 20 DBGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)CO)ccc1Cl 753452249 MSSXTZLSLFGHGH-UHFFFAOYSA-N 321.742 -0.535 50 20 DBGD COCC(=O)NN[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 754001249 HIRDXDAUKBYAGF-LBPRGKRZSA-N 310.306 -0.046 50 20 DBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccc(Cl)nc1 763911724 OXJQRLHEFJOLOQ-NSHDSACASA-N 323.784 -0.114 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2C[C@H](CO)OC[C@@H]2C)c1 777599459 KJGQKNJCVQGROE-GXTWGEPZSA-N 321.377 -0.162 50 20 DBGD O=C(CO)NNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 777782961 ZELAKKNAKUXWFD-CYBMUJFWSA-N 311.313 -0.661 50 20 DBGD COc1nccnc1NNC(=O)Cn1c(C)cc(C)nc1=O 791226297 VGUQEEWODRBHJN-UHFFFAOYSA-N 304.310 -0.198 50 20 DBGD N#Cc1ccncc1C(=O)NNC(=O)CNC(=O)c1ccco1 805174362 IWPIRGFPXRADFM-UHFFFAOYSA-N 313.273 -0.263 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)NN(C)[C@@H](C)CO)c1 823992789 BDNGKYLIBFLXEN-VIFPVBQESA-N 301.368 -0.448 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCOC[C@@H]1C(=O)O 826753792 FURUTSWVCKCRRN-NXEZZACHSA-N 301.343 -0.646 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1OCC(N)=O 843640264 BEUUNNKRXVHCEP-ZJUUUORDSA-N 321.333 -0.263 50 20 DBGD CN(C)CCn1ccc(C(=O)NNC(=O)c2ccccn2)n1 847281155 UXMMTTAWEPKIMW-UHFFFAOYSA-N 302.338 -0.086 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)[C@H]2CCCO[C@H]21 858248772 HZWBQYIPNVKLLT-RBLKWDMZSA-N 324.381 -0.201 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)(C)C 858265317 UKJRPYNYMJGKPL-IUCAKERBSA-N 300.359 -0.344 50 20 DBGD COc1ccc(OC)c(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862450382 RHXNBEMZIRTTRX-NSHDSACASA-N 321.333 -0.328 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnn(CCN(C)C)c1 869068211 NYMBWAJLFBHWFB-CMPLNLGQSA-N 309.370 -0.369 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCCN(C)C1=O 874194653 GFGSSTBCEFCZOG-JTQLQIEISA-N 300.359 -0.388 50 20 DBGD C[C@@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)N(C)C 879419659 COZBYMIJSBZXMO-VIFPVBQESA-N 302.375 -0.001 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)C[C@@H](C)O1 891768555 YHDQTHHORPETHE-KAILVDNBSA-N 323.393 -0.142 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cn2ccccc2n1 920434216 UGZSDMUEAKUBAS-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD CCOc1ccc(NNC(=O)c2cn(CC(N)=O)nn2)cc1 1117752029 UPFAQQHGSTWIDX-UHFFFAOYSA-N 304.310 -0.081 50 20 DBGD CN(C)N(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1248442153 FKTFGMSYOXMFON-ZYOFXKKJSA-N 312.395 -0.074 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2nocc2C)n1 1254896581 DWFPTZCCXAHHHV-UHFFFAOYSA-N 320.309 -0.418 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1cccc(F)n1 1261639539 HCNYRUYPDPWBMU-SSDOTTSWSA-N 318.330 -0.402 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1COc2cc(OC)ccc2C1 1319678952 UCYFDHJWVCFQBE-VIFPVBQESA-N 323.305 -0.498 50 20 DBGD O=C(NNS(=O)(=O)c1cn2c(n1)CCCC2)c1cc[nH]n1 1327385294 AMZRWHXWGJGOBN-UHFFFAOYSA-N 310.339 -0.434 50 20 DBGD CC(C)Cn1cnc(S(=O)(=O)NNC(=O)c2cc[nH]n2)c1 1327887751 FWJPVPKSPOVSGG-UHFFFAOYSA-N 312.355 -0.115 50 20 DBGD Cc1nnc(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)o1 1330104796 WDIJZTCOWNVMDG-UHFFFAOYSA-N 304.310 -0.016 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2CN)c1O 1579260216 UPXKLYFILSNOGX-LDYMZIIASA-N 309.322 -0.474 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1)[C@@H]1C[C@H](c2ccccc2)OC1=O 1580732521 FHOWCPPBQCJFEY-QJPTWQEYSA-N 303.318 -0.200 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNC(=O)c1cccnc1 1592913625 DWVDTTDRDXBJMG-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD O=C(NCCOc1ccc(F)c(F)c1)NNC(=O)C(=O)O 1601506251 IPBAVTXMDILYDS-UHFFFAOYSA-N 303.221 -0.241 50 20 DBGD O=C(O)c1cccc(NNC(=O)c2cccc(B(O)O)c2)c1 1602450049 GNNBTUVBJQJWFU-UHFFFAOYSA-N 300.079 -0.179 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cnnn2C)o1 1603411993 DFGXDIKLWFUCBM-UHFFFAOYSA-N 318.301 -0.137 50 20 DBGD Cn1cc(C(=O)NNc2cccc(C(=O)O)c2)c(O)nc1=O 1610600481 UDXASKFBCHPHOY-UHFFFAOYSA-N 304.262 -0.059 50 20 DBGD CCc1ccc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)cc1 8248420 AKXGOVLKEKSAIO-UHFFFAOYSA-N 318.333 -0.096 50 20 DBGD CC[C@@H](C(=O)NNC(=O)Cn1ncn(C)c1=O)c1ccccc1 181772687 WADPHHVJNCMGNI-GFCCVEGCSA-N 317.349 -0.077 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1cnccn1 265237773 ZLGQHLGBEHUMDC-RBJBARPLSA-N 313.317 -0.273 50 20 DBGD CC1(C)C(=O)NCCN1CC(=O)NNC(=O)c1ccc(F)cc1 299428063 XKCSTWXQIAIBHE-UHFFFAOYSA-N 322.340 -0.203 50 20 DBGD COCC1(C(=O)NNC(=O)N2CCN(C)CC2)CCOCC1 365634780 MLTHDKPKRRSUAY-UHFFFAOYSA-N 314.386 -0.582 50 20 DBGD O=C(NCCC(=O)N1CCCC1)c1cc(B(O)O)ccc1F 584925882 RVEYWTMZUDVOCW-UHFFFAOYSA-N 308.118 -0.752 50 20 DBGD C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(B(O)O)cc1)CCO2 584985366 KQWVNZCSYBMWBE-XHDPSFHLSA-N 305.139 -0.614 50 20 DBGD C=CCC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584985825 SDVKZTXFQLSVEV-UHFFFAOYSA-N 302.139 -0.773 50 20 DBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H](C)[S@@]1=O 584988377 MKBUPWGPQBVJKZ-HWBVIDEXSA-N 309.196 -0.262 50 20 DBGD CC(C)[C@@H](CNCc1ccc(B(O)O)cc1F)N1CCOCC1 585015299 WKHWZYZRRUPSEH-MRXNPFEDSA-N 324.205 -0.048 50 20 DBGD OB(O)c1cccc(CNCc2nnc3n2CCCCC3)c1 585016071 GPWAKVNYXDHXBV-UHFFFAOYSA-N 300.171 -0.026 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)CCN1c1ccccc1F 585024033 PLKNJLQLGXYXIC-LBPRGKRZSA-N 318.113 -0.006 50 20 DBGD COCc1nc2n(n1)C[C@@H](NCc1cccc(B(O)O)c1)CC2 585029180 WQFUMZUYTDFGFM-ZDUSSCGKSA-N 316.170 -0.791 50 20 DBGD O=C1NCCc2ccc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)cc21 585057435 DSRRQGRSPFICSR-SNVBAGLBSA-N 324.167 -0.790 50 20 DBGD NNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 731450469 WPGVLHGTSCMMRU-UHFFFAOYSA-N 313.257 -0.147 50 20 DBGD O=C(NNS(=O)(=O)c1cnc[nH]1)c1cccc([N+](=O)[O-])c1 736539661 OJARSXQGBIXJEH-UHFFFAOYSA-N 311.279 -0.059 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1c[nH]c(C(=O)OC)c1 743257915 ZAVSQVKKKXVLGR-UHFFFAOYSA-N 304.328 -0.296 50 20 DBGD CC(C)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 745139643 MBMHKFDQCZBESO-UHFFFAOYSA-N 318.355 -0.118 50 20 DBGD O=C(CCc1ccco1)NNC(=O)Cn1cnc([N+](=O)[O-])n1 748263207 ANLSDLLHRNKJKA-UHFFFAOYSA-N 308.254 -0.441 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)c1cnn(C)c1 750031125 SMDKKQPPFGBGAC-SECBINFHSA-N 309.370 -0.024 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1cccc(Cl)c1 751565510 HQNONCHKYMSHJU-UHFFFAOYSA-N 305.743 -0.350 50 20 DBGD CC(C)CO[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758027981 BDRIFIXCFFEYDF-BDAKNGLRSA-N 309.388 -0.867 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](NC(=O)NC2CC2)C1 760907547 NEOPQXQNVNBQGC-KOLCDFICSA-N 311.386 -0.532 50 20 DBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)C2CC2)cn1C 763561922 JMPQLTKHOPWAOC-UHFFFAOYSA-N 322.321 -0.302 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1C(=O)OC 764317830 OQXRPHNCGNBTCJ-UHFFFAOYSA-N 323.305 -0.404 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 764422186 QMKDLYZRJNFEDG-UHFFFAOYSA-N 323.202 -0.077 50 20 DBGD CNC(=O)Cc1ccc(NC(=O)NNC(=O)CN(C)C)cc1 775477804 WBQXAWRINPLEML-UHFFFAOYSA-N 307.354 -0.311 50 20 DBGD O=C(NN=c1cc[nH]cc1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 779836570 YGKALBJITSCXPM-CHWSQXEVSA-N 313.317 -0.083 50 20 DBGD COC(=O)CNC(=O)NN=Cc1cn(Cc2cccnc2)nn1 783867598 RTWVBAKEJVQCQG-UHFFFAOYSA-N 317.309 -0.473 50 20 DBGD COCCn1ccc(C(=O)NNC(=O)Cc2cccnc2)n1 784092725 BFFOZRRANCEVRP-UHFFFAOYSA-N 303.322 -0.072 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNc1nc2ccccn2n1 791261641 JSPUPJQWRCCCCO-GZMMTYOYSA-N 318.337 -0.552 50 20 DBGD CNC(=S)N(C)NC(=O)Cn1cccc(C(=O)OC)c1=O 822547749 OXNWLUAGEOVXRW-UHFFFAOYSA-N 312.351 -0.898 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NC[C@@H](C)O)cc(-c2nn[nH]n2)n1C 826235135 CMSHXLSXYLZGSP-HCNJTKSQSA-N 315.337 -0.082 50 20 DBGD CN1C(=O)CC[C@H]1CC(=O)NNC(=O)COc1ccccc1O 826774119 OUDCNTBDPICFTF-JTQLQIEISA-N 321.333 -0.071 50 20 DBGD CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCl)CC1 830889814 TWLOYQNFSUTWMW-SNVBAGLBSA-N 309.819 -0.249 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)N1CCOCC1 843973949 JLWSCPJHXSJETF-QWRGUYRKSA-N 313.354 -0.802 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)OCC(F)(F)F 856023658 REWZDODGWQDFTF-SCSAIBSYSA-N 307.250 -0.756 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H]2C(N)=O)c1O 857012834 VSGPNUXQGSAVEN-YUMQZZPRSA-N 307.306 -0.327 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccnc2ccnn12 860348407 UCNDZJAUYVATKZ-QMMMGPOBSA-N 305.294 -0.168 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)N1 862450702 ZNVRVTZZCFUQLB-GHMZBOCLSA-N 317.301 -0.806 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)N1 862462106 UQKLLXLDPBSLJB-ZETCQYMHSA-N 308.250 -0.660 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cccc3c2OCCCO3)N1 862464421 YIMBQNDKEMIKCY-SNVBAGLBSA-N 319.317 -0.113 50 20 DBGD COC(=O)[C@@H](NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1F 863378348 BKTAUSBHCXKQNP-PWSUYJOCSA-N 309.297 -0.061 50 20 DBGD CC(C)(C)OC(=O)CCC(=O)NNC(=O)CS(C)(=O)=O 863465230 YOAYXNGLZDBJLK-UHFFFAOYSA-N 308.356 -0.700 50 20 DBGD COC(=O)[C@]1(C)CCCN(C(=O)c2cccc(B(O)O)c2)C1 863885540 JVHMZTWXNGSOBR-OAHLLOKOSA-N 305.139 -0.218 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCOCC2)[C@@H]1OC 883584843 ZCUNNZGMRQABIX-TUAOUCFPSA-N 315.370 -0.064 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)Cc2ccccc2F)C1=O 900638953 TVLMCHCXQFIFBT-GFCCVEGCSA-N 309.297 -0.627 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@H]1c1cccnc1 913733255 BQFUQSFZURUQPO-NWDGAFQWSA-N 302.334 -0.045 50 20 DBGD O=C(CNC(=O)C1CC1)NNC(=O)COc1ccccc1F 914857199 LXCJYAFJFFBHLH-UHFFFAOYSA-N 309.297 -0.122 50 20 DBGD CC1(C)CNC(=O)[C@@H]1NCC(=O)NNC(=O)c1ccccc1 931660146 BQBFKRZPPIWMDL-LBPRGKRZSA-N 304.350 -0.438 50 20 DBGD Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)NNC(=O)C1CC1 1116004727 RNEHHCPQJCYZLR-UHFFFAOYSA-N 317.349 -0.022 50 20 DBGD O=C(NCC1CC1)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 1116015429 JZUYULWRBSSEFY-UHFFFAOYSA-N 323.353 -0.505 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccnc(N(C)C)n1 1118187288 NXODPJFVNNRUDD-GXSJLCMTSA-N 322.369 -0.202 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nnn2C 1261460277 YCEHRMXEHSTMPU-UHFFFAOYSA-N 320.309 -0.909 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1318076451 YDJGPAFICVHQRQ-UHFFFAOYSA-N 321.380 -0.445 50 20 DBGD Cn1nccc1NC(=O)C(=O)NNC(=O)Cc1ccccc1F 1321152761 WOSIUSMPERAZRP-UHFFFAOYSA-N 319.296 -0.112 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cncnc1N(C)C 1323944730 KLQQVEGADCKOAV-QMMMGPOBSA-N 308.342 -0.325 50 20 DBGD O=C(NNC(=O)[C@]1(O)CCSC1)C(=O)Nc1ccccn1 1324640782 BTSABIMCNLSFTB-LBPRGKRZSA-N 310.335 -0.965 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)N[C@@H]1C[C@@H]2CCCCN2C1=O 1329752256 CKIIADCCQSUYSN-VHSXEESVSA-N 306.326 -0.493 50 20 DBGD CO[C@@H]1COC[C@@H]1NC(=O)NNc1nncc(N)c1Cl 1330866108 ZALWIUBARUBNTD-NKWVEPMBSA-N 302.722 -0.248 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1ccc(OC)cc1 1337811632 IMYAKTZXDBNMSD-UHFFFAOYSA-N 309.322 -0.391 50 20 DBGD C[C@@H](C(=O)O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 1588580876 YRBFVDZHQZEUSJ-QMMMGPOBSA-N 319.273 -0.417 50 20 DBGD CC(C)(CNC(=O)NNC(=O)C(=O)O)NC(=O)OC(C)(C)C 1590726252 CSXMZOJNMXUJAI-UHFFFAOYSA-N 318.330 -0.295 50 20 DBGD Cc1nn(CCCl)c(C)c1C(=O)NCC(=O)NCC(=O)O 1600788457 PJULXAKPMDCGSF-UHFFFAOYSA-N 316.745 -0.331 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCC2)c1 1601636055 UUEXOJDXAVGNDA-UHFFFAOYSA-N 320.305 -0.543 50 20 DBGD O=C(O)c1ccc(C=NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 1602331035 NUHQQWQMEGUPIZ-ZETCQYMHSA-N 300.292 -0.137 50 20 DBGD Cn1c(C(=O)NNC(=O)[C@@H]2CCCS2)ccc1-c1nn[nH]n1 1609475748 QQLPTEKAKXINKG-VIFPVBQESA-N 321.366 -0.138 50 20 DBGD CN1CC(=O)N(CC(=O)NNc2cccc(C(=O)O)c2)C1=O 1610127912 IDBCUTZQACEQKZ-UHFFFAOYSA-N 306.278 -0.278 50 20 DBGD C[C@@H]1CN(C)C[C@@H](C(=O)NN=Cc2c(C(=O)O)cnn2C)O1 1776092524 QLEKCMFYDZSUGD-KCJUWKMLSA-N 309.326 -0.713 50 20 DBGD CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010806 FQENUSOVXBKJKW-UHFFFAOYSA-N 302.139 -0.797 50 20 DBGD NCC(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845217192 KVCADCBFKPWGDI-QMMMGPOBSA-N 308.151 -0.161 50 20 DBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C(=O)NC1CC1 9889542 DIPJLCSGBWDSSE-UHFFFAOYSA-N 322.277 -0.600 50 20 DBGD CCOCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 27150023 YHPZZCNPSNFYJS-UHFFFAOYSA-N 300.336 -0.112 50 20 DBGD CN1CC[C@H](NC(=O)NNC(=O)Cc2ccccc2F)C1=O 172404977 FGOFQXHMJBFFDN-NSHDSACASA-N 308.313 -0.071 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)c1F 273509168 QOYUESBSXNCTNP-LURJTMIESA-N 321.305 -0.337 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 298113205 QHQGSHQKPUGMMJ-NSHDSACASA-N 302.290 -0.637 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NNc1ccc(-n2ccnc2)nn1 367746538 NCMPWLULVVQDIW-LLVKDONJSA-N 317.353 -0.174 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)C(C)(C)O)c2ccccc2C1=O 375754451 JXFLGBOGWJULJC-LLVKDONJSA-N 305.334 -0.226 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(C2(O)CC2)CC1 585002614 ATCDGACTTZHLTM-UHFFFAOYSA-N 307.130 -0.117 50 20 DBGD O=C(NCCn1cncn1)NNc1ccc(-n2cccn2)nn1 726709411 LVQSEYJIZYSFLL-UHFFFAOYSA-N 314.313 -0.420 50 20 DBGD Cc1cccc2c1NC(=O)C2=NNC(=O)[C@@H](C)NS(C)(=O)=O 728437390 RMFKASLJVYIZFC-MRVPVSSYSA-N 324.362 -0.295 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccccn2)c[nH]1 743249245 QDZIECGQVRXHML-UHFFFAOYSA-N 324.318 -0.180 50 20 DBGD CNC(=O)NNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 746593324 FIJMGMDHNMTVFP-UHFFFAOYSA-N 322.369 -0.094 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NC(C)C)c(C)o1 751365174 XZXXSNMCGXKKIY-UHFFFAOYSA-N 318.355 -0.151 50 20 DBGD N#Cc1ccccc1NC(=O)CCCC(=O)NNC(=O)CO 753444297 IVMLNYYWNAOOIB-UHFFFAOYSA-N 304.306 -0.193 50 20 DBGD O=C(CO)NNC(=O)CCCNC(=O)c1ccc(F)cc1F 753445556 NHQHWAGJRLSXJM-UHFFFAOYSA-N 315.276 -0.386 50 20 DBGD N#Cc1ccc(OCC(=O)NNc2ccc(C(N)=O)nn2)cc1 757393198 UZQZIRZBLWVDBF-UHFFFAOYSA-N 312.289 -0.031 50 20 DBGD O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(C(=O)O)[nH]1 763197169 ZWZXOTCXJNGILJ-UHFFFAOYSA-N 315.289 -0.012 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1 764401937 ZYJIMBRKDGIGFQ-JTQLQIEISA-N 309.322 -0.176 50 20 DBGD O=C(Cn1cccn1)NNC(=O)[C@@H]1COc2ccccc2O1 765999892 FYSQUIILDVJVBO-LBPRGKRZSA-N 302.290 -0.130 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1nccnc1N 771927403 HVVHPYGPPKQRAS-MRVPVSSYSA-N 309.326 -0.202 50 20 DBGD N#C[C@@]1(F)CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 786117369 SYGOUUGSCZDUGS-ZDUSSCGKSA-N 323.284 -0.312 50 20 DBGD COc1cccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)n1 790162700 VIDKMRZDOJRZPX-QMMMGPOBSA-N 300.340 -0.522 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CCc2nnn(C)c2C1 811342599 AKNJJJZOEYAPHK-DTWKUNHWSA-N 323.353 -0.591 50 20 DBGD O=C(CCn1nnc2ccccc2c1=O)NNc1nc[nH]n1 816633907 QONBMKIGJNNMDI-UHFFFAOYSA-N 300.282 -0.557 50 20 DBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ncncc1F 817080474 PWUGZVOVDGHMBS-SNVBAGLBSA-N 324.316 -0.814 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1C1CCCC1)c1ccnnc1 817693441 OROLDUHLNSBDII-ZDUSSCGKSA-N 319.365 -0.119 50 20 DBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826934249 HHGLKNQKKBMIKI-UKKRHICBSA-N 301.343 -0.454 50 20 DBGD C[C@H]1OC(=O)N[C@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1 841375490 GSJSQLCICXPNIH-PRHODGIISA-N 318.289 -0.419 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@H]1COCCN1CC(F)F 843970439 GATZJQVZDYMQDR-GUBZILKMSA-N 321.324 -0.475 50 20 DBGD CNC(=S)N(C)NC(=O)CNC(=O)c1ccccc1OC 854929328 DQHBVOGWKSPTMG-UHFFFAOYSA-N 310.379 -0.108 50 20 DBGD C#CCCN1CCC(NC(=O)c2ccc(B(O)O)cc2)CC1 863873251 CKCNOPROORHAIZ-UHFFFAOYSA-N 300.167 -0.416 50 20 DBGD COC(=O)[C@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 925187867 GDRJVHOFPQETQY-LLVKDONJSA-N 309.152 -0.903 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC1CC2(C1)OCCO2 927095326 QRDFVRTVKYKHHC-ONGXEEELSA-N 313.354 -0.105 50 20 DBGD C[C@H](Sc1nncn1C)C(=O)NNC(=O)c1cnn(C)c1 1116087052 GUZSZIIABRRIEU-ZETCQYMHSA-N 309.355 -0.510 50 20 DBGD O=C(CSc1nncs1)NNC(=O)C(=O)N1CCCC1 1318082475 NVVIQLFMXNWEKD-UHFFFAOYSA-N 315.380 -0.600 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 1325519258 FWHMZTPAMUCLQI-UHFFFAOYSA-N 303.677 -0.053 50 20 DBGD CC(C)CN1CCN(C(=O)NNC(=O)c2cn[nH]c2)[C@@H](C)C1=O 1328731789 RZSWLQWKHVJNMK-JTQLQIEISA-N 322.369 -0.047 50 20 DBGD CC(C)c1nocc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1329625357 FHMJTYAWBLUHMU-MRVPVSSYSA-N 315.351 -0.006 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 1345734034 VIEFAQFODRGZSK-GARJFASQSA-N 312.370 -0.247 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 1589411189 HVQRQUUXXGHYMD-UHFFFAOYSA-N 311.327 -0.773 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(C(=O)O)cn1 1605726648 ZWQYMZCAEHPQOI-SSDOTTSWSA-N 316.339 -0.449 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 8390309 NKMZDTMFNLWDEK-UHFFFAOYSA-N 304.306 -0.391 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1cncn1 44576545 KIZKXGFNBWQZAU-CABZTGNLSA-N 317.305 -0.174 50 20 DBGD Cn1cccc1C(=O)NNC(=O)Cn1nc2ccccn2c1=O 97111910 DIMVUTBZZUJLFM-UHFFFAOYSA-N 314.305 -0.704 50 20 DBGD CN(C)CC(=O)NNC(=O)CCCNC(=O)c1cccnc1 269373723 JQWTWYZJLCBZEK-UHFFFAOYSA-N 307.354 -0.699 50 20 DBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=S)NCCSC 271241983 HTDUCCZRQFEBSS-SSDOTTSWSA-N 307.445 -0.318 50 20 DBGD C[C@H](O)CN(CC(=O)NNC(=O)c1ccccc1)[C@H](C)CO 276170007 INSNWHMBEPCRFN-NEPJUHHUSA-N 309.366 -0.489 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc([N+](=O)[O-])[nH]n1 288124003 YRKNCAMAUWYQKV-UHFFFAOYSA-N 315.286 -0.132 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(C(N)=O)cc2)O1 293892497 KQFQJWRNWURUHP-CABZTGNLSA-N 321.333 -0.121 50 20 DBGD CNC(=O)NNC(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C 299133666 QJJUYTDBUIRNMC-NSHDSACASA-N 321.316 -0.135 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)N1CCOCC1 299403476 WQJILOPCDVCGHJ-VIFPVBQESA-N 310.310 -0.529 50 20 DBGD CN1CCC[C@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494642579 XYAJHNFCHZITJJ-VIFPVBQESA-N 300.359 -0.247 50 20 DBGD CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(B(O)O)c1 584909947 LPZNGQRWISPNHX-LLVKDONJSA-N 308.168 -0.384 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CN2CCOCC2)C1 584950525 FLYGYVGIMXLJDT-ZDUSSCGKSA-N 318.182 -0.839 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@H](COCC2CC2)C1 584977202 NPXRYKSDNIZEOA-OAHLLOKOSA-N 319.166 -0.366 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)N1CCCCC1=O 584980254 UYVUNCXHMZXPQH-SNVBAGLBSA-N 322.145 -0.364 50 20 DBGD O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(B(O)O)cc1 584987902 XHJBQXMMLWOHFR-QWHCGFSZSA-N 302.139 -0.750 50 20 DBGD O=C(NC[C@@H]1CCCN1CCCO)c1ccc(B(O)O)c(F)c1 584995811 RQXAJUXPUDXDDX-LBPRGKRZSA-N 324.161 -0.918 50 20 DBGD NS(=O)(=O)c1ccc(N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])c1 585073498 MATOHHMJKNDLDK-SSDOTTSWSA-N 315.116 -0.705 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)NC2CCCCC2)C1=O 725988193 QRNULCPOMFEDJE-UHFFFAOYSA-N 311.342 -0.457 50 20 DBGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cccn2C)C1=O 726540679 JSCZSNGAFHEMKC-CQSZACIVSA-N 321.337 -0.493 50 20 DBGD CCNC(=O)CCCC(=O)NNC(=O)CNC(=O)c1ccco1 729530444 CLLIRNJKPILAPI-UHFFFAOYSA-N 324.337 -0.537 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 754958031 LLOAIEUTXXTMSW-SMDDNHRTSA-N 310.306 -0.629 50 20 DBGD CS(=O)(=O)Cc1ccccc1NC(=O)NNC(=O)CO 756269280 NWAXBMZNKQNXFC-UHFFFAOYSA-N 301.324 -0.624 50 20 DBGD CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)Cc1cc[nH]n1 758068345 FNAAWQGIHVMKIJ-AWEZNQCLSA-N 323.397 -0.107 50 20 DBGD CSc1c(F)cc(NC(=O)C(=O)NNC(=O)CO)cc1F 764429799 ZSIPSMYOOYCOMA-UHFFFAOYSA-N 319.289 -0.235 50 20 DBGD Cc1c(Br)cc(C(=O)NNC(=O)CO)c(=O)n1C 765905970 OABUNADAXBPAQL-UHFFFAOYSA-N 318.127 -0.790 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1=NNC(=O)CC1 771846722 LIASDBXMDWQWAV-MRVPVSSYSA-N 312.326 -0.622 50 20 DBGD O=C(NCC[C@H]1CCCCO1)NNC(=O)C(=O)N1CCCC1 780906272 CMBCCCKWSKWYFM-LLVKDONJSA-N 312.370 -0.102 50 20 DBGD CCC(=O)NNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 794387290 YKAVUXRSYYRJTB-UHFFFAOYSA-N 321.337 -0.193 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cnn(CC(F)F)c1 814220677 FDHDUAHRDFVHFU-SSDOTTSWSA-N 323.325 -0.464 50 20 DBGD O=C1NC(=O)C(=NNC(=O)c2cccc3ncccc23)C(=O)N1 814221819 NRDFVSJSCNEGSA-UHFFFAOYSA-N 311.257 -0.313 50 20 DBGD CN(NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)O)C1)C(N)=O 820607690 PTCFFJUXNGSCMS-SNVBAGLBSA-N 305.294 -0.252 50 20 DBGD CCCNC(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825747865 ALKUUKIJBRAWGN-UWVGGRQHSA-N 300.359 -0.342 50 20 DBGD CNC(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 826051810 NMLOTMNBGGNFEV-UHFFFAOYSA-N 301.310 -0.164 50 20 DBGD COCCO[C@@H]1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1 827274019 LGNULQCSDLOQKQ-QJPTWQEYSA-N 315.370 -0.111 50 20 DBGD C[C@@H](N)C(=O)N1CCN(S(=O)(=O)CBr)CC1 832140033 JTOOFVMPRRJHCS-SSDOTTSWSA-N 314.205 -0.840 50 20 DBGD COCc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1 833725853 JSAZJTMTPUJZKD-UHFFFAOYSA-N 317.323 -0.590 50 20 DBGD CCOC(=O)[C@@H](N)C(=O)NNc1nc(-c2cccnc2)no1 852865104 RJHNHPYNEBJECO-QMMMGPOBSA-N 306.282 -0.535 50 20 DBGD CCCN1CC[C@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858282481 ZFYQXZWLYAUVNZ-MNOVXSKESA-N 311.386 -0.673 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCS1 858296848 WOXROVVBQQNTIQ-PRHODGIISA-N 300.384 -0.119 50 20 DBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c(C)n1 860771651 ZBOBWCQBJSPFGC-VIFPVBQESA-N 307.310 -0.170 50 20 DBGD O=C(CC1CCCCC1)NCC(=O)NNC(=O)[C@H]1CCC(=O)N1 862451813 AQEPWIBAYKOHHS-LLVKDONJSA-N 324.381 -0.501 50 20 DBGD CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452672 MWHIBJZCNAQFKY-MNOVXSKESA-N 324.381 -0.551 50 20 DBGD CC(=O)NC1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCCC1 862453468 VTLACNGZTAILHA-SNVBAGLBSA-N 310.354 -0.749 50 20 DBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 862993089 MDGSNGLJIDMQKK-NXEZZACHSA-N 317.411 -0.559 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863464796 SRGUDLFTQCVLLN-ZDUSSCGKSA-N 314.363 -0.524 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C1(C(F)(F)F)CCC1 863466644 ZHKJUDRDOYNJEW-UHFFFAOYSA-N 302.274 -0.089 50 20 DBGD O=C1NCC2(CCN(C(=O)c3cc(B(O)O)ccc3F)CC2)O1 867653586 IUIZYIDSBJXHJL-UHFFFAOYSA-N 322.101 -0.780 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cc2n(n1)CCCC2 913733248 BNCKTRNQQAIRND-UHFFFAOYSA-N 305.338 -0.397 50 20 DBGD NC(=O)c1csc(C(=O)NNC(=O)CN2CCCC2=O)c1 920433161 QCYJNPPEBSLDGD-UHFFFAOYSA-N 310.335 -0.770 50 20 DBGD CCCNC(=O)NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 921038356 WENQVACLIPQHFA-UHFFFAOYSA-N 318.330 -0.173 50 20 DBGD COCCn1cc(NC(=O)C(=O)NN=c2cc[nH]c(C)c2)cn1 1118935951 ZSVNBSJBJLEJKF-UHFFFAOYSA-N 318.337 -0.263 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cccc(N2C(=O)CCC2=O)c1 1255919225 KOTZAQKFPWLRBT-UHFFFAOYSA-N 319.317 -0.128 50 20 DBGD CC[S@@](=O)CCNC(=O)NNC(=O)c1cccc(F)n1 1261639840 OSTKQLRPOWGTHV-HXUWFJFHSA-N 302.331 -0.067 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNC(=O)Cn1cnc2ccccc21 1319362854 WOHKWLNPNWPGTH-LLVKDONJSA-N 318.333 -0.011 50 20 DBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 1326788502 ZFYREMNDUGXPMF-MRVPVSSYSA-N 318.337 -0.526 50 20 DBGD COCCn1cc(C(=O)NNc2nncc(N)c2Cl)nn1 1328606058 LMKRRNYGPLZRMB-UHFFFAOYSA-N 312.721 -0.293 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 1330794796 PUYDHEVIOIPCIC-MRVPVSSYSA-N 314.342 -0.863 50 20 DBGD COC(=O)C(=O)NNC(=O)NC1CN(C(=O)OC(C)(C)C)C1 1331362612 FASAVIWLSJHCHZ-UHFFFAOYSA-N 316.314 -0.891 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)nc1C 1341494506 UGQKATHIQYFUFN-UHFFFAOYSA-N 317.371 -0.954 50 20 DBGD CCOC(=O)[C@H]1CNCCN1C(=O)/C(C#N)=C/c1cnn(C)c1 1577935666 BSHPWGWCGQCNFW-XEVNVYFWSA-N 317.349 -0.309 50 20 DBGD COC(=O)C[C@H](N)C(=O)NNC(=O)COc1ccc(F)cc1 1578819182 PLGLQSZNLJFZHS-JTQLQIEISA-N 313.285 -0.758 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCC(N)=O)o1 1589775116 YVFPKQHPQZKHLB-UHFFFAOYSA-N 308.302 -0.313 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnn(CCO)c1 1593165405 HNTJVHBKYYCRMH-UHFFFAOYSA-N 314.309 -0.188 50 20 DBGD O=C(CN1CCSC[C@@H](C(=O)O)C1)NNC(=O)C1CC1 1601318992 IYUWKATUJFKVPD-VIFPVBQESA-N 301.368 -0.707 50 20 DBGD Cc1c(C(=O)NNC(=O)NC[C@H](C(=O)O)C2CCC2)nnn1C 1605077097 OKPQVXDIPZKQHJ-VIFPVBQESA-N 324.341 -0.432 50 20 DBGD O=C(c1ncccn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557088 UXIRKJNXLIJUQD-DCAQKATOSA-N 324.768 -0.108 50 20 DBGD O=C(NCc1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 25115730 BSFJNFFOONEFPC-NSHDSACASA-N 311.363 -0.048 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(F)cc(F)c1 264107130 IPJBCKFRSGZQLE-LURJTMIESA-N 321.305 -0.337 50 20 DBGD COCCS(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 265643683 QYTXQGQNUBOQCX-LLVKDONJSA-N 316.335 -0.577 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 268460927 UDMHBZZCMWOZHQ-YUMQZZPRSA-N 302.331 -0.242 50 20 DBGD C=CCS(=O)(=O)CCNC(=O)NNc1nccc(OC)n1 272796216 CNAXRYRAPMIZPP-UHFFFAOYSA-N 315.355 -0.288 50 20 DBGD C[C@@H]1NC(C(=O)NNC(=O)C2CC2)=NN(c2ccccc2)C1=O 298668505 SEUQWJBOYBVMIH-VIFPVBQESA-N 315.333 -0.118 50 20 DBGD COc1ccccc1N1C[C@@H](C(=O)NNC(=O)CO)CC1=O 364723211 RTBKFVLXNHWYEL-VIFPVBQESA-N 307.306 -0.812 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCc3nccn3C2)CC1 377237521 LNVVAMHEQWAJEH-NSHDSACASA-N 306.370 -0.566 50 20 DBGD CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cc(B(O)O)ccc1F 584940751 ZBOXUTQMFGVWKO-GFCCVEGCSA-N 308.118 -0.898 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@H]1[C@@H]1CCCO1 584988021 BEMPFXNZDNSMBD-KBPBESRZSA-N 305.139 -0.614 50 20 DBGD O=C1CCCN1[C@H]1CCC[C@H](NCc2ccc(B(O)O)o2)C1 585047125 HSOBPJMHVUPLFC-RYUDHWBXSA-N 306.171 -0.017 50 20 DBGD OB(O)c1ccc(CNC2CCN([C@@H]3CCOC3)CC2)c(F)c1 585050456 ZKJVPSFSPVYQCU-OAHLLOKOSA-N 322.189 -0.152 50 20 DBGD CCCNC(=O)CCc1nc(-c2cccc(B(O)O)c2)no1 585053688 OOWUWFOWSDVJAA-UHFFFAOYSA-N 303.127 -0.125 50 20 DBGD COc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1OC 585057482 FNGQGAWNANUBCU-SECBINFHSA-N 315.156 -0.059 50 20 DBGD CN(CC(=O)NNc1cnccn1)S(=O)(=O)c1cccnc1 734244693 YTDQHEGOQASBOK-UHFFFAOYSA-N 322.350 -0.365 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 742242900 RYLUAVGNWWINRE-CYBMUJFWSA-N 321.333 -0.451 50 20 DBGD Cc1nc(-c2ccc(C(=O)NNC(=O)c3cnn[nH]3)cc2)n[nH]1 746222674 AGKGMLUDGYYLJK-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cc(F)cc(C(=O)O)c1 749140816 CJSQKKMLDSYYDB-UHFFFAOYSA-N 305.287 -0.012 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccc(Cl)nc2)nn1 763023179 LDJKGXMZSNHBTF-SSDOTTSWSA-N 324.728 -0.159 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1COC 764325241 GFODBEFTCYTORC-UHFFFAOYSA-N 309.322 -0.045 50 20 DBGD COCCCNC(=O)NNC(=O)C(=O)N1CCC(C)CC1 767721997 JFAQDPCLQUCWSZ-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN(C)c1ncccn1 771990062 OVTNVVYQCRGVEY-SECBINFHSA-N 309.326 -0.598 50 20 DBGD COC[C@H](CO)NC(=O)NNC(=O)Cn1ccc2ccccc21 792918553 VXYUENXJXGHIKS-LBPRGKRZSA-N 320.349 -0.021 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)c2cn(C)nn2)cc1 809571235 LJHJNPDSJXZCMA-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD O=C(CSc1ccccc1O)NN=C1C(=O)NC(=O)NC1=O 814970240 JKSNSTQPTPLAJH-UHFFFAOYSA-N 322.302 -0.678 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 816814089 HYHDAIFGVUIBOZ-KBVBSXBZSA-N 319.317 -0.515 50 20 DBGD O=C(O)[C@@H]1C[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1 833179296 OEQOSDYUYPPVHL-RKDXNWHRSA-N 307.310 -0.523 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCNC(=O)O 833438819 LTSUZVAYMQJUSH-UHFFFAOYSA-N 304.303 -0.684 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)c2ncccn2)CC1=O 841353467 BRKBUGCRWRHUSW-JTQLQIEISA-N 305.338 -0.258 50 20 DBGD CO[C@@H](C)CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 851916992 PMHQJPUPIVENFW-VIFPVBQESA-N 319.325 -0.359 50 20 DBGD CCNC(=O)CCC(=O)NN(C)C(=S)NCCCOC 854280740 AWPJCEROZFPLRM-UHFFFAOYSA-N 304.416 -0.223 50 20 DBGD CC(C)(C(=O)NNC(=O)c1cc[nH]n1)n1cc([N+](=O)[O-])cn1 855358702 SUANWKHDIWHHNB-UHFFFAOYSA-N 307.270 -0.289 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ccnc(Cl)c1 855469089 SOFGPCUFJXWIIE-UHFFFAOYSA-N 318.786 -0.092 50 20 DBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)c1cccc(F)n1 856421824 HSGGAEJXEQDLNR-UHFFFAOYSA-N 324.312 -0.379 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1(=O)=O)c1cccc(F)n1 856428485 WTPLZWXKWMKCKZ-MRVPVSSYSA-N 301.299 -0.441 50 20 DBGD CC(C)OCCCN(C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 858694908 AUIZVVMFKAYCMK-SNVBAGLBSA-N 300.359 -0.247 50 20 DBGD CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1=O 862453023 QQYYXXJYDKFNSW-HBNTYKKESA-N 324.381 -0.551 50 20 DBGD CN(C)C(=O)OC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 863883831 OQJFQAHHCLKJGN-UHFFFAOYSA-N 320.154 -0.331 50 20 DBGD CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 863884132 ZILXQTYMMILTHK-SNVBAGLBSA-N 324.117 -0.582 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@H](C)N2CCSCC2)n[nH]1 869015530 RHOOKTJEDIYUBB-JTQLQIEISA-N 311.411 -0.155 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N(C)C 874368764 QWWVYWSFFAUQKS-LLVKDONJSA-N 320.397 -0.210 50 20 DBGD O=C(COCC(=O)NNc1ncccn1)NCc1cccnc1 1116012246 KEUPVHVSEONPNH-UHFFFAOYSA-N 316.321 -0.352 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 1116598491 INDUJMNBSJNGLN-UHFFFAOYSA-N 320.305 -0.127 50 20 DBGD CN(C)CCc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1 1116600041 OEZRCTGEGJDVCC-UHFFFAOYSA-N 322.365 -0.741 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)c1ccc(C#N)cc1 1318071983 CHEFQURYYUSRFY-UHFFFAOYSA-N 304.306 -0.528 50 20 DBGD Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1318851048 PIRYSVGTAIKGAO-MRVPVSSYSA-N 309.370 -0.123 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCCN1CCC(C)CC1 1318882237 KINQZHVQBDBWHB-UHFFFAOYSA-N 300.359 -0.388 50 20 DBGD O=C1Nc2cc(O)ccc2C1=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318981321 IVLMQRFSOXKQLP-SSDOTTSWSA-N 323.330 -0.401 50 20 DBGD CS(=O)(=O)CCCC(=O)NNc1nncc(N)c1Cl 1319215034 MRVZVSNPQMDNJS-UHFFFAOYSA-N 307.763 -0.020 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nc[nH]n2)c1)C(=O)NC1CC1 1319797959 WYRUKGLEBSPCSE-UHFFFAOYSA-N 314.305 -0.489 50 20 DBGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)c(C)c1 1320230898 AZSZWFJSWHXNNQ-UHFFFAOYSA-N 306.322 -0.149 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC1(N(C)C)CCCCC1 1330489398 PDNCPEVVGSYNSW-UHFFFAOYSA-N 300.359 -0.246 50 20 DBGD CC(C)(C)C(=O)Cn1cc(C(=O)N2CC[C@H](B(O)O)C2)nn1 1331896257 PVOFIWZFJSDFQQ-VIFPVBQESA-N 308.147 -0.418 50 20 DBGD O=C(CCO)NNC(=O)C(=O)N1CCCc2ccc(F)cc21 1342608607 VVTRBNFASXDLKS-UHFFFAOYSA-N 309.297 -0.365 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC1CCN(CC#N)CC1 1349060980 FAUPOPYEDDQRRH-JQWIXIFHSA-N 309.370 -0.270 50 20 DBGD O=C(CN1CCNCC1)NNC(=O)c1ccc2c(c1)OCCO2 1580548900 FUTIEIRZPUZOHN-UHFFFAOYSA-N 320.349 -0.876 50 20 DBGD O=C(Cc1ccccc1O)NNC(=O)c1cn(C2CNC2)nn1 1580573100 DLQYTSWRRUPMRT-UHFFFAOYSA-N 316.321 -0.868 50 20 DBGD C[C@@H](C(=O)O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 1588580682 TUAJJWVQJFJIHK-QMMMGPOBSA-N 319.273 -0.417 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 1592761708 TYHUDYLPTWKUNE-UHFFFAOYSA-N 320.704 -0.023 50 20 DBGD O=C(NCCOCCF)NNc1ccc(-c2nn[nH]n2)cn1 1593098921 KQAYMAJJGAJJFO-UHFFFAOYSA-N 310.293 -0.126 50 20 DBGD O=C(NCC1(C(=O)O)CCOCC1)NNC(=O)c1cccnn1 1594742488 OEUXAKVCZXXDQP-UHFFFAOYSA-N 323.309 -0.698 50 20 DBGD CCOC[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)c1ccccc1 1596877783 QNYWVYCFMJEVQJ-LBPRGKRZSA-N 323.349 -0.131 50 20 DBGD Cc1c(C(=O)O)cccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1599996757 HEFHTQIMYOCJDO-VIFPVBQESA-N 313.140 -0.069 50 20 DBGD NC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccc(C(=O)O)c(F)c2)O1 1601159597 AMRRYTUCSRSHDP-ZJUUUORDSA-N 311.269 0.000 50 20 DBGD O=C(O)Cc1cccc(NC(=O)NNC(=O)c2ccnnc2)n1 1602139582 CWAIWNHNUDUMSQ-UHFFFAOYSA-N 316.277 -0.035 50 20 DBGD C[C@](CNC(=O)NNC(=O)C(=O)O)(C(=O)O)c1ccccc1 1604179210 VLVIAJGYJOLRLF-CYBMUJFWSA-N 309.278 -0.556 50 20 DBGD CN1CCN(S(=O)(=O)CBr)C[C@H](C(=O)O)C1 1606244664 IDYRNVGJPGGTHN-SSDOTTSWSA-N 315.189 -0.383 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)nn1 1608098543 MNPFKCAEEJKDKL-SFYZADRCSA-N 310.314 -0.598 50 20 DBGD COCC(=O)NNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC 1609316338 UEWGDNRRVGVAAE-UHFFFAOYSA-N 321.297 -0.326 50 20 DBGD CCCNC(=O)NNC(=S)NCCCN1CCOCC1 66012276 VKHSUKCLOMVVFP-UHFFFAOYSA-N 303.432 -0.203 50 20 DBGD CCCCNC(=O)NNC(=O)CN(C)c1ncnc2[nH]cnc12 68385137 MELGORWTDIWDGW-UHFFFAOYSA-N 320.357 -0.080 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)Cn1cccnc1=O 142607801 PORZBCYCNGCEJN-UHFFFAOYSA-N 316.317 -0.140 50 20 DBGD CC(C)[C@H](C(=O)NNc1cnccn1)N1CCCS1(=O)=O 273406132 LQMCWGPOMJVQER-LLVKDONJSA-N 313.383 -0.020 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNc2cccc(F)n2)nn1 287294731 UVQRUTGFXLQORE-UHFFFAOYSA-N 323.288 -0.075 50 20 DBGD CCCc1nnc(SCC(=O)NNc2cccnn2)n1N 291803601 ZNFYIAIHAGNCBL-UHFFFAOYSA-N 308.371 -0.030 50 20 DBGD CCn1nncc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 292543315 AFNPBLCDBOPOHD-GFCCVEGCSA-N 317.305 -0.101 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCCC2)NNC(=O)NC1CC1 363116207 DQHSHGCNLVHRKE-UHFFFAOYSA-N 308.342 -0.736 50 20 DBGD COCCN1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 584942476 HZEHPVVJCFJTMJ-GFCCVEGCSA-N 306.171 -0.936 50 20 DBGD CN(C)C(=O)C1(CNC(=O)c2ccc(B(O)O)cc2)CCCC1 584946690 YFXONFMUJIVROA-UHFFFAOYSA-N 318.182 -0.255 50 20 DBGD C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584955459 NTNPJAOFIVUXRJ-DFAYQTQMSA-N 320.129 -0.755 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)[S@]1=O 584980976 PQSQOHRXDXKNPA-APJWKNSMSA-N 313.159 -0.513 50 20 DBGD OB(O)c1ccccc1CNCc1nnc2n1CCCCC2 585016800 ZVSJZEDFRZYAFT-UHFFFAOYSA-N 300.171 -0.026 50 20 DBGD O=C(Cc1ccccc1)NCCNCc1ccc(B(O)O)o1 585019943 KNRKNZCKOAPFHE-UHFFFAOYSA-N 302.139 -0.592 50 20 DBGD O=S1(=O)CCC[C@H](NCc2ccc(B(O)O)cc2F)C1 585025616 YRFWBVQZIONZCI-NSHDSACASA-N 301.148 -0.828 50 20 DBGD Cn1cc(C(=O)NCB(O)O)c(-c2ccc([N+](=O)[O-])cc2)n1 585055573 FFTNVQDCMLWHFE-UHFFFAOYSA-N 304.071 -0.263 50 20 DBGD O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](B(O)O)C1 585060582 GYGUCLVBGMHBLC-VIFPVBQESA-N 313.140 -0.305 50 20 DBGD C[C@H](C(=O)NNC(=O)NCc1ccco1)N1C(=O)CCC1=O 727732715 UNPPJSQSISIMDM-MRVPVSSYSA-N 308.294 -0.353 50 20 DBGD O=C(CNC(=O)C1CC1)NNC(=O)COc1ccccc1O 730781166 GEZURVNBMBFZAE-UHFFFAOYSA-N 307.306 -0.555 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)Cc1cn2ccccc2n1 746742308 FQDSDUWZPQESBE-UHFFFAOYSA-N 318.337 -0.657 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)co1 755425317 ZULFOVRZDJPPDI-UHFFFAOYSA-N 312.307 -0.409 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1cc[nH]n1 758066502 CRDJMEXUZLNGFC-UHFFFAOYSA-N 305.254 -0.701 50 20 DBGD CS(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 763910728 DPSNGQAYQBOKDL-JTQLQIEISA-N 303.384 -0.947 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=O)c1cccc(F)n1 783566398 AVFRVZRWWWFQPC-JTQLQIEISA-N 310.329 -0.050 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCc2ccc(O)nc2)CC1 807382929 VIGLSTKCGKNSFH-UHFFFAOYSA-N 307.354 -0.292 50 20 DBGD CCCc1nnc(S[C@@H](C)C(=O)NNC(=O)CC)n1N 808052827 XELQFCDTRYFIDS-ZETCQYMHSA-N 300.388 -0.018 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C)cc(CN)c1 818637952 NACVOGWGDMJXDD-UHFFFAOYSA-N 308.338 -0.424 50 20 DBGD O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)[C@H]1COCCO1 819194484 AERRQFAKICWTMC-LLVKDONJSA-N 323.305 -0.369 50 20 DBGD C[C@@H](C#N)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 824034975 RBJDVPIDHFJKRP-QMMMGPOBSA-N 314.309 -0.030 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCC(=O)N(C)C 825761005 GYQOLPJVXMPSKE-VHSXEESVSA-N 300.359 -0.390 50 20 DBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)[C@H]1CCCCO1 836349814 MRVWYDMPRWNKOK-NWDGAFQWSA-N 314.386 -0.393 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC(N)C1 843388431 ZFAXNTCPFPRNLN-UHFFFAOYSA-N 321.337 -0.223 50 20 DBGD CN(C)C(=O)[C@@H]1CCN(C(=O)NNC(=O)c2cccc(F)n2)C1 852712225 IHTGPVDWGQCIMT-SECBINFHSA-N 323.328 -0.015 50 20 DBGD O=C(NNC(=O)c1cc[nH]n1)c1cc(N2CCOCC2)ccn1 855362711 UFOWJRGOZDTIPW-UHFFFAOYSA-N 316.321 -0.284 50 20 DBGD CCOCCn1cc(C(=O)NNC(=O)Cc2cc[nH]n2)cn1 857118630 PEZPTXIIRPFKHY-UHFFFAOYSA-N 306.326 -0.354 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOc2ccc(F)cc2)N1 858133776 XUKBVZJPFCKAFV-NSHDSACASA-N 324.312 -0.187 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOCc2ccccc2)N1 858265705 SIXADWTXNKOBEY-LBPRGKRZSA-N 320.349 -0.188 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2cccc3c2COC3=O)N1 861123229 NRBKTIWIDALBQA-SNVBAGLBSA-N 318.289 -0.212 50 20 DBGD CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862459132 NLQUATLLTJLCBF-GFCCVEGCSA-N 318.333 -0.007 50 20 DBGD Cc1csc(C(=O)NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 862479343 KYFKNZQZRSKAAO-FXPVBKGRSA-N 312.347 -0.770 50 20 DBGD COC(=O)[C@@H](C)N(C(=O)c1ccc(B(O)O)cc1)C1CCC1 863880386 XMTHQCAEVARZSM-SNVBAGLBSA-N 305.139 -0.077 50 20 DBGD C=CCNc1ncc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 863935827 VPXCZBOGWWXNDU-ZETCQYMHSA-N 309.351 -0.219 50 20 DBGD C[C@@]1(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C[C@H]1Br 909005053 KSQLRDSGKNWQNH-KNAPAATOSA-N 301.140 -0.109 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)CNC(=O)c1cccs1 1116210422 HJJCRKVICISTMY-UHFFFAOYSA-N 322.350 -0.624 50 20 DBGD C[C@@]1(CCCC(=O)NNC(=O)c2ccncc2)NC(=O)NC1=O 1116635080 ZIORORVZUOUMHW-AWEZNQCLSA-N 319.321 -0.389 50 20 DBGD O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 1118982039 HDCXSSGVULEFHL-LBPRGKRZSA-N 316.166 -0.503 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1 1261640013 SXHLQXLZWXCOSB-SNVBAGLBSA-N 324.360 -0.590 50 20 DBGD O=C(CCc1ccncc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1318462095 APUVWMKRTYMLKH-NSHDSACASA-N 311.363 -0.404 50 20 DBGD Cc1c(CCC(=O)NNC(=O)C(=O)N2CCCC2)cnn1C 1319520994 LPAZNJDXCZVFQA-UHFFFAOYSA-N 307.354 -0.569 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CCO)cnn1C1CCCC1 1320871179 PICBQXCCNKOPNN-UHFFFAOYSA-N 323.353 -0.225 50 20 DBGD NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)NC2CC2)c1 1322331515 BGKLOQIEADLUPM-UHFFFAOYSA-N 312.351 -0.419 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(CO)c1 1324294934 KYJXGXHRMFJLFK-NSHDSACASA-N 312.347 -0.625 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1574103847 BXBRXPHMKCYWGN-SECBINFHSA-N 317.342 -0.824 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C 1590366116 WYOCMBYABNUJIJ-UHFFFAOYSA-N 317.309 -0.329 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cc[nH]n2)ncc1-c1nn[nH]n1 1591930340 RGVHBHGBAKHMAH-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD Cn1nnc(CNC(=O)NNc2ccc(F)c(C(=O)O)c2)n1 1601040446 HVQSAYZJILWIKK-UHFFFAOYSA-N 309.261 -0.126 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 1604949739 JEBQORWHAXSESH-UHFFFAOYSA-N 313.299 -0.847 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)n1)c1ccccn1 1609558300 ACCRAOWHGBPDCY-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD COC(=O)NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 54870985 YMFXKECWAIBMLH-UHFFFAOYSA-N 311.294 -0.179 50 20 DBGD C[C@@H](CC(=O)NNC(=O)CN(C)C)NC(=O)c1ccccc1 75653490 WFYXFXKVGIWSGT-NSHDSACASA-N 306.366 -0.096 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(=O)n(-c2ccccc2)n1 113424431 MRUDATWVSQWUFR-UHFFFAOYSA-N 315.333 -0.445 50 20 DBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)Cn2nc(C)cc2C)C1 133006999 VEXGCYHJSYDVES-LBPRGKRZSA-N 321.381 -0.094 50 20 DBGD CN(C)CC(=O)NNC(=O)c1csc(-c2cnccn2)n1 172159800 VAKOKJKNLDANJL-UHFFFAOYSA-N 306.351 -0.077 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)cc1 276668075 ULODHHMWGQOEHU-VXGBXAGGSA-N 321.333 -0.446 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ncn(C)n2)C[C@H](C)O1 289640317 WONZDDRVZAGUTC-UWVGGRQHSA-N 310.358 -0.925 50 20 DBGD Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NNC(=O)N(C)C 299436245 NHSVYLIRSSISTK-UHFFFAOYSA-N 317.323 -0.137 50 20 DBGD COCCN1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584944761 WAQKRIUMUMATOI-NSHDSACASA-N 324.161 -0.796 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(B(O)O)ccc1F 584958731 RWUPYJUJXYGFKQ-OTYXRUKQSA-N 306.146 -0.282 50 20 DBGD CC[C@H]1CN(CCNC(=O)c2ccc(B(O)O)c(F)c2)CCO1 584983139 SYUCDBJFBFYZNI-LBPRGKRZSA-N 324.161 -0.654 50 20 DBGD C[C@H]1CN(CCCNCc2cccc(B(O)O)c2)CCCO1 585038029 QBSCREDRTRPUDQ-AWEZNQCLSA-N 306.215 -0.043 50 20 DBGD Cc1[nH]nc(S(=O)(=O)NNC(=O)NC(C)C)c1C(=O)O 738828496 DJAPWQWIZXQJFP-UHFFFAOYSA-N 305.316 -0.683 50 20 DBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)NCC2CC2)CC1 746838089 ATSCYWIKQWDQCL-UHFFFAOYSA-N 303.384 -0.058 50 20 DBGD CC(C)CN1C[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)CC1=O 755284863 ZTOBJUOFGXXEJN-JTQLQIEISA-N 307.354 -0.396 50 20 DBGD CCN1CCN(c2ccc(NC(=O)NNC(=O)CO)cc2)CC1 755471547 GUUGRABQCUQFQV-UHFFFAOYSA-N 321.381 -0.027 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(OC)c1 764203440 HVDJLPPUKKPADB-UHFFFAOYSA-N 324.337 -0.649 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CCC[C@H]1C 769651012 PNDGXGWLNSUIAD-KXUCPTDWSA-N 305.400 -0.102 50 20 DBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 802031204 FGOHPKBLLANBIU-UWVGGRQHSA-N 305.338 -0.052 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COCc1ncc(C)o1 803899400 FAWFYPMDVLNHFQ-VIFPVBQESA-N 313.310 -0.011 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](C(=O)O)C2)c1 819106409 OLPKSRZQCPXSQM-LBPRGKRZSA-N 316.317 -0.274 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 821128374 XBKSKUCJFUEPJM-UHFFFAOYSA-N 310.335 -0.111 50 20 DBGD CCOC(=O)C[C@H](NC(=O)NNC(=O)COC)C(F)(F)F 824762446 ULDJDOPGAISDFA-LURJTMIESA-N 315.248 -0.153 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCC1([S@](C)=O)CC1 826711069 WIXYLJNIPIHFLZ-WDKLKTEZSA-N 303.384 -0.347 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1nc(C2CC2)nn1C 829913856 NILRRCXRCOENBJ-MRVPVSSYSA-N 323.353 -0.276 50 20 DBGD CO[C@@H]1CN(CC(=O)NNC(=O)c2ccc(F)cc2)C[C@H]1O 832008296 ZTTGQTMMLOEHIV-VXGBXAGGSA-N 311.313 -0.722 50 20 DBGD CCC[C@H](C(=O)NNc1ccc(OC)cn1)S(N)(=O)=O 832649078 JUOOJQHZQJHEOK-SECBINFHSA-N 302.356 -0.010 50 20 DBGD CCOCC(=O)NNC(=O)NCc1cc(=O)n2ccccc2n1 845710478 IRHZFEBRXPAHEV-UHFFFAOYSA-N 319.321 -0.439 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cn1cnc2ccccc21 847286233 JMLCNKMZBXMYCT-ZJUUUORDSA-N 315.333 -0.305 50 20 DBGD NC(=O)[C@H]1CC[C@@H]1C(=O)NNC(=O)COc1ccc(F)cc1 847290225 WDWWNHIOVFXFBT-QWRGUYRKSA-N 309.297 -0.137 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 854920711 HJVQWYCWKKMEMQ-CQSZACIVSA-N 306.391 -0.088 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 854922708 FYCASCIEYFETKT-SSDOTTSWSA-N 310.445 -0.582 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(Cl)n1 857326279 USQYRDRIPFMTPO-UHFFFAOYSA-N 320.758 -0.565 50 20 DBGD CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 862451795 GVANYHRINZFKJY-MNOVXSKESA-N 324.381 -0.549 50 20 DBGD CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(B(O)O)ccc1F 863890926 SXINPPJOSZTOCY-LBPRGKRZSA-N 322.145 -0.364 50 20 DBGD CC(C)[C@H](NC1CCOCC1)C(=O)NNC(=O)c1cn[nH]c1 863935527 PMVCHXJHZVLSIK-LBPRGKRZSA-N 309.370 -0.036 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@]2(Cl)C[C@H]3CC[C@H]2O3)CC1 908054830 JKSKYQFFROMSTQ-BREBYQMCSA-N 316.789 -0.097 50 20 DBGD COC(=O)C(=O)NNC(=S)NCCc1ccc(OC)cc1 1116197877 KLRLLUONTFYBQG-UHFFFAOYSA-N 311.363 -0.094 50 20 DBGD NC(=O)[C@H]1CCCN(c2ccc(C(=O)NNC(=O)CO)cc2)C1 1116573855 QGETWLPIRJNKPR-NSHDSACASA-N 320.349 -0.858 50 20 DBGD Cc1ncc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1 1118141145 RVVXKBPULCTNGE-SVRRBLITSA-N 312.351 -0.038 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)n1 1118189377 KAHRBGLKCJZQAX-NXEZZACHSA-N 321.337 -0.210 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCc2c(nnn2C)C1 1118393126 AUGZWCSYZUESAW-LPEHRKFASA-N 322.369 -0.572 50 20 DBGD COc1ccccc1C(=O)NNC(=O)N[C@H](C)c1nnnn1C 1263137364 DNDORTJMIBPANC-MRVPVSSYSA-N 319.325 -0.076 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(NC(C)=O)cc1 1318877076 OZZJZZSZGKBMFH-UHFFFAOYSA-N 322.321 -0.309 50 20 DBGD CO[C@H](C)CCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320002444 MUOYRKJXOMGFHT-BDAKNGLRSA-N 307.372 -0.681 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 1321383917 WNVBDBHYXYKICB-UHFFFAOYSA-N 306.365 -0.439 50 20 DBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cn2n1 1325892027 IQDCYEUFLLFRLD-UHFFFAOYSA-N 316.321 -0.076 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@@H]1CCc2nncn2C1 1330292269 RIBFVAXUCXRFJU-SECBINFHSA-N 304.310 -0.036 50 20 DBGD CC(C)(C)n1cc(C(=O)NNC(=O)C(=O)N2CCCC2)nn1 1338917787 BSHYYZMJFKZLNY-UHFFFAOYSA-N 308.342 -0.584 50 20 DBGD Cn1cc(Br)cc1C(=O)NNC(=O)C[C@@H](O)CN 1579959921 UVCNANGCCPTAJA-SSDOTTSWSA-N 319.159 -0.742 50 20 DBGD OB(O)[C@@H]1CCN(c2cc(-c3nn[nH]n3)nc(C3CC3)n2)C1 1593498501 PYSYMDDTSITNOD-MRVPVSSYSA-N 301.119 -0.413 50 20 DBGD O=C(Cc1ccc(C(=O)O)nc1)NNC(=O)N=c1cc[nH]cc1 1601358953 XXHJRRYAFKCIDY-UHFFFAOYSA-N 315.289 -0.008 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)NC1(C(=O)O)CCOCC1 1603761875 SMJLCYHONRGFMD-JTQLQIEISA-N 315.370 -0.208 50 20 DBGD O=C(NCCn1ccnc1)NNc1ccc(-c2nn[nH]n2)cn1 1606803281 SWVMABMHTFJHQE-UHFFFAOYSA-N 314.313 -0.216 50 20 DBGD O=C(NNc1nc2ccccn2n1)c1c[nH]c(-c2nn[nH]n2)c1 1606861792 FCVAWTRPCDROFD-UHFFFAOYSA-N 310.281 -0.006 50 20 DBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)NCC(=O)O 1610006825 GMEZJFMWYDXKKP-QMMMGPOBSA-N 303.388 -0.766 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)N[C@@H](CO)C(=O)O)cc(C#N)n1C 1610411076 LWMAPLWCDZJPEC-FALLNDSDSA-N 302.290 -0.326 50 20 DBGD O=C(CSc1nnnn1C1CC1)NNC(=O)[C@@H]1CCCO1 32260957 VIJJRBOGSQZFMF-QMMMGPOBSA-N 312.355 -0.574 50 20 DBGD O=C(Cn1cccnc1=O)NNC(=O)NCCc1cccs1 139459009 TUHRJLADCGSAED-UHFFFAOYSA-N 321.362 -0.122 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCC2)c[nH]1 266496578 WIPOGHCNJZWUDC-UHFFFAOYSA-N 301.324 -0.089 50 20 DBGD CC[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](O)C(F)(F)F 584967711 BFYODEOSYAQJQA-UWVGGRQHSA-N 323.051 -0.063 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@@H]1c1nc[nH]n1 584969020 INKKZSLUQCYVPL-GFCCVEGCSA-N 318.117 -0.009 50 20 DBGD O=C1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)C2(CCC2)N1 584987193 JHQGNRNRRJRSRY-GFCCVEGCSA-N 320.129 -0.563 50 20 DBGD OB(O)c1ccc(CNc2cccc(CN3CCOCC3)n2)o1 585033882 HMAWVODOTCWPEW-UHFFFAOYSA-N 317.154 -0.201 50 20 DBGD C[C@H](NCc1ccc(B(O)O)cc1F)c1nnc2n1CCC2 585034940 VRQXGJIILSHTQA-VIFPVBQESA-N 304.134 -0.106 50 20 DBGD Cc1cc(C(F)(F)F)n2nc(C(=O)NCB(O)O)cc2n1 585066842 NOIKDYVTFBFXRE-UHFFFAOYSA-N 302.021 -0.202 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=S)NCC(N)=O)c1 727064304 AFEBQFJOKVSGSD-UHFFFAOYSA-N 310.379 -0.337 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 731499137 KOKSHKFPWCLJMP-VIFPVBQESA-N 320.415 -0.213 50 20 DBGD O=C(NNC(=O)c1cc2c(cc1O)OCO2)C(=O)N1CCCC1 748344168 XTIFLEMXLRFIKO-UHFFFAOYSA-N 321.289 -0.496 50 20 DBGD COCCC(C)(C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 758853905 NVRHQUCDPHRLTR-VIFPVBQESA-N 306.384 -0.369 50 20 DBGD O=C(CN1CCCC1=O)NNc1nccc(N2CCOCC2)n1 762848305 PVPNZNUJKUHXKR-UHFFFAOYSA-N 320.353 -0.621 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1CCCN1S(C)(=O)=O 764465632 ZTZXWGCICRFBAD-MRVPVSSYSA-N 315.355 -0.648 50 20 DBGD COc1cccc([C@@H](O)C(=O)NNC(=O)C(=O)NC(C)C)c1 764632656 NADPDIAWTNVWDD-LLVKDONJSA-N 309.322 -0.599 50 20 DBGD COC(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772038758 USNKWTHARLMQNN-QMMMGPOBSA-N 303.315 -0.532 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(=O)NCC1CC1 788495716 PNGNSOMDCSQXDU-UHFFFAOYSA-N 315.333 -0.070 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC(=O)NCC2(C)C)cc1 800488662 NZEHBSWLAAPHLC-UHFFFAOYSA-N 318.377 -0.034 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)C1(n2cnnn2)CC1 825090371 UMPXRWJTXMWFPY-UHFFFAOYSA-N 300.322 -0.058 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@]1(O)CCSC1 854283330 RHTLLOULJFFTFY-LLVKDONJSA-N 307.441 -0.272 50 20 DBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862448471 DZMXXZIEOGTFAU-JTQLQIEISA-N 310.354 -0.891 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@@H]2CCC(=O)N2)n(C)c1C 863153449 UTTZAFHGKNKLEP-NSHDSACASA-N 306.322 -0.151 50 20 DBGD Cn1c(C(=O)O)cc(Br)c1C=NNC(=O)C(N)=O 1116082316 HSGAVVYHYMFEMG-UHFFFAOYSA-N 317.099 -0.579 50 20 DBGD Cn1ccnc(NNC(=O)c2ccc3c(c2)OCC(=O)N3)c1=O 1116193099 LADQYUNSFSZACA-UHFFFAOYSA-N 315.289 -0.132 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc2c1CNC2=O 1117390129 CFHIXDIBSTWYIY-UHFFFAOYSA-N 319.321 -0.439 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1scnc1C1CC1 1320901374 OXFJPJKWOQMOAD-UHFFFAOYSA-N 312.307 -0.721 50 20 DBGD C[C@]1(CCC(=O)NNC(=O)C(=O)N2CCCC2)CCC(=O)N1 1321201883 AICIZNACQIXEDZ-CQSZACIVSA-N 310.354 -0.795 50 20 DBGD C=CCNC(=S)NNC(=O)CCc1c(C)nc(O)nc1O 1321478329 JMIDSTGLPXHCMC-UHFFFAOYSA-N 311.367 -0.190 50 20 DBGD C[C@@](O)(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C1CC1 1323000611 ZVCMAEMRCRLJAD-CQSZACIVSA-N 306.322 -0.281 50 20 DBGD O=C(NNC(=O)c1cccc(-n2ccnn2)c1)C(=O)NC1CC1 1323018833 GFQZJDHBQWTNOD-UHFFFAOYSA-N 314.305 -0.693 50 20 DBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccn1 1323814572 TWBROVMRIGUNPJ-MRVPVSSYSA-N 308.294 -0.633 50 20 DBGD O=C(Cc1csc2nccn12)NNC(=O)C(=O)NC1CC1 1324020927 DWMIWNQYEIYRNA-UHFFFAOYSA-N 307.335 -0.636 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCc1ccn(C)n1 1342482570 VNVBUPSZBJOBMB-JTQLQIEISA-N 313.358 -0.656 50 20 DBGD COCCOCC(=O)NNC(=O)c1cn(C)nc1C(F)F 1352011614 YQHRLXVVUXWFDH-UHFFFAOYSA-N 306.269 -0.218 50 20 DBGD COCc1nn(C)cc1C(=O)NNC(=O)Cc1ccncc1 1353405425 UTJSAVFJLPFPDM-UHFFFAOYSA-N 303.322 -0.035 50 20 DBGD CN[C@@H](C)C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1578751321 WLJITVRSJVSPRF-IUCAKERBSA-N 300.359 -0.249 50 20 DBGD O=C(CN1CCNCC1=O)NNc1nc2ccncc2s1 1580549265 SBLYBSXXBXNGGZ-UHFFFAOYSA-N 306.351 -0.434 50 20 DBGD C[C@@H](C(=O)O)n1cccc1C=NNC(=O)CS(C)(=O)=O 1589539956 MVDGLKLOBYJPBB-QMMMGPOBSA-N 301.324 -0.372 50 20 DBGD Cc1nnc(NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)nc1O 1594492352 BNTOXTQFPVRMER-HTQZYQBOSA-N 311.298 -0.401 50 20 DBGD O=C(NNC(=O)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C2)C(=O)NC1CC1 1594779936 ZINDAWCLCVHFJB-RDOZXCAGSA-N 309.322 -0.697 50 20 DBGD NC(=O)c1nccnc1C(=O)NNc1ccc(CC(=O)O)cc1 1601172747 ZZNDEQPBBXETCK-UHFFFAOYSA-N 315.289 -0.041 50 20 DBGD O=C(Cn1cccc(C(=O)O)c1=O)NNC(=O)c1cccnc1 1601387397 FHSUKUDKSJKBLK-UHFFFAOYSA-N 316.273 -0.597 50 20 DBGD CC(C)OC(=O)NNS(=O)(=O)c1cnn(CC(=O)O)c1 1609708897 JQGMTNJCCMHYMZ-UHFFFAOYSA-N 306.300 -0.704 50 20 DBGD CO[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@@H](C(=O)O)C1 1610236150 AXYAMFUGJGUEAT-VHSXEESVSA-N 315.370 -0.256 50 20 DBGD O=C(NNC(=O)C(=O)O)NC1CCN(Cc2ccccn2)CC1 1610699388 WUFQWUNEOLEOSY-UHFFFAOYSA-N 321.337 -0.539 50 20 DBGD CC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845164242 UUGGTDAHKPJXMT-SECBINFHSA-N 315.805 -0.310 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2C1)C(=O)NC1CC1 10215047 KYVXLISORDKKTD-SNVBAGLBSA-N 303.318 -0.336 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 26535783 JUCYJPWSGRVOIJ-QMMMGPOBSA-N 303.322 -0.085 50 20 DBGD O=C(CSc1nnnn1C1CC1)NNC(=O)NCC1CC1 139346045 JNTRKKBVOBFXIT-UHFFFAOYSA-N 311.371 -0.160 50 20 DBGD NC(=O)[C@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1 192845222 IZAKJYAIHWCOGM-GFCCVEGCSA-N 304.350 -0.213 50 20 DBGD CCS(=O)(=O)N(C)CCCNC(=O)NNc1cccnn1 265469502 JXUIBYGKJBLKRX-UHFFFAOYSA-N 316.387 -0.226 50 20 DBGD C=CCCO[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 268827693 KKMGUVMMNXBGCO-LLVKDONJSA-N 320.349 -0.060 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)COc2ccc(F)cc2)C1 276257313 IHAPQQDODCSDOM-UHFFFAOYSA-N 309.297 -0.170 50 20 DBGD CCOC(=O)CO/N=C(/C(=O)NNC(=O)C1CC1)c1cc[nH]n1 276759407 WWPZGRFFBQGZLG-WOJGMQOQSA-N 323.309 -0.749 50 20 DBGD C[C@H](Cn1cccn1)NC(=O)NNC(=O)C(=O)N1CCCC1 299482724 HHKJJERHYCIRPK-SNVBAGLBSA-N 308.342 -0.776 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNC(=O)Cc1cc[nH]n1)C(C)C 495175925 STPYJNDPUOBJBT-NSHDSACASA-N 311.342 -0.130 50 20 DBGD O=C(NCCOC[C@H]1CCOC1)c1cc(B(O)O)ccc1F 584941945 NZQZURIJKQTFNK-JTQLQIEISA-N 311.118 -0.712 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@H](N2CCCC2=O)C1 584981049 RGLLCMSVUMAULQ-NSHDSACASA-N 320.129 -0.658 50 20 DBGD CN(C)CCOc1cc(CNCc2ccc(B(O)O)o2)ccn1 585034872 USDKBWNDDLKWRO-UHFFFAOYSA-N 319.170 -0.415 50 20 DBGD CS(=O)(=O)N1CCCN(S(=O)(=O)CCCCl)CC1 703167882 UEAXGBNSEKSRJL-UHFFFAOYSA-N 318.848 -0.088 50 20 DBGD Nc1c(C(=O)NNC(=O)c2cnn[nH]2)cc(F)cc1[N+](=O)[O-] 729457452 LSAVSWJVJDVUCU-UHFFFAOYSA-N 309.217 -0.491 50 20 DBGD CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NNC(=O)CN(C)C 733359220 ABNWLCLMLKQESN-NSHDSACASA-N 315.418 -0.182 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1cccc(C#N)c1 733660221 DYRNZUNFRKCWKC-VIFPVBQESA-N 324.362 -0.065 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)c2c[nH]nc2C)c1[N+](=O)[O-] 735516047 FYDLZWGGKCNVAY-UHFFFAOYSA-N 307.270 -0.013 50 20 DBGD O=C(O)CSCC(=O)NNC(=O)COc1ccccc1O 740485304 JQNZIYBVFGYGKO-UHFFFAOYSA-N 314.319 -0.264 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@]12CCC(=O)N1CCS2 755269608 TZPBZFRMZGKGRQ-LBPRGKRZSA-N 309.351 -0.835 50 20 DBGD COc1ccc(C(=O)NNC(=O)N=c2nc[nH]n2C)cc1OC 757762255 RKAYPLPJQCFOLX-UHFFFAOYSA-N 320.309 -0.279 50 20 DBGD CCOCC(=O)NNC(=O)NCC1(N2CCOCC2)CC1 765636974 NIVYPRKEVABQIR-UHFFFAOYSA-N 300.359 -0.782 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C1(NC(N)=O)CC1 767205842 WLSTZFLHNIGROV-UHFFFAOYSA-N 316.321 -0.395 50 20 DBGD O=C(CO)NNC(=O)[C@@H](c1ccccc1F)N1CCOCC1 777781297 LWLHLQIWHLLXET-CYBMUJFWSA-N 311.313 -0.661 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]cc(C)c2=O)n1 777795727 GETPZOZAHDHVCE-UHFFFAOYSA-N 303.322 -0.042 50 20 DBGD COc1ccc(NNC(=O)CCn2cc[nH]c(=O)c2=O)nc1 781535901 KYHNGIHJSYOILS-UHFFFAOYSA-N 305.294 -0.526 50 20 DBGD COC1CCC(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 781920969 QWTQWHFZOKAHSN-XNWIYYODSA-N 321.399 -0.723 50 20 DBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)N=c1cc[nH]cc1 802029649 PDEXDZILZBZKBV-UHFFFAOYSA-N 305.294 -0.805 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-c2nn[nH]n2)s1 823277552 PTKGMCANAMHWTM-UHFFFAOYSA-N 323.338 -0.385 50 20 DBGD C[C@H](CN1CCOCC1)NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 825660328 MHZCFZUXFBYNHE-UTUOFQBUSA-N 314.386 -0.538 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCC(=O)NC1CCCC1 825815090 XRBVAJGZJAIDCC-ONGXEEELSA-N 312.370 -0.199 50 20 DBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)C(C)C 847288930 FBWYGSIAKUTKSG-UHFFFAOYSA-N 300.340 -0.546 50 20 DBGD CNC(=S)N(C)NC(=O)c1c(C)nn(C)c1-n1cccn1 854922602 NXTLHOYVGGOEER-UHFFFAOYSA-N 307.383 -0.005 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccccc2[N+](=O)[O-])N1 858146589 HJBIKFMWVWRDBL-SECBINFHSA-N 321.293 -0.296 50 20 DBGD CC(C)CCn1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nn1 862455814 RISKUGDQOHXRSN-SECBINFHSA-N 308.342 -0.636 50 20 DBGD CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862457415 IWTVBRBGHHQYQM-JTQLQIEISA-N 320.305 -0.610 50 20 DBGD CC(C)(C)c1cc(C(=O)NNC(=O)CS(C)(=O)=O)no1 863463093 QURGDTLECFOPPL-UHFFFAOYSA-N 303.340 -0.222 50 20 DBGD COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cccc(B(O)O)c1 863877624 BIPXWLHLHGIJQQ-QWHCGFSZSA-N 321.138 -0.841 50 20 DBGD CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(B(O)O)cc1 863891411 PPEFCCALYSYCJK-OAHLLOKOSA-N 309.171 -0.451 50 20 DBGD CC(C)(CO)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 867015239 BZLBYTADOLAAMH-UHFFFAOYSA-N 324.161 -0.966 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 918556826 NQELJMIEKQEJBN-SNVBAGLBSA-N 310.354 -0.797 50 20 DBGD COC(=O)C(=O)NNC(=O)NC1CCN(CC(F)F)CC1 1116188105 YXGWLXHYUTXXCH-UHFFFAOYSA-N 308.285 -0.781 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)C2CCN(CC(F)F)CC2)N1 1118908978 DOXRIULFDYYKJT-VIFPVBQESA-N 318.324 -0.611 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1C 1320580463 SXGOTVNXAIUYCE-UHFFFAOYSA-N 313.697 -0.093 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)N1CCc2cccc(C)c21 1320710498 FDVMPYFOQVZJER-UHFFFAOYSA-N 305.290 -0.795 50 20 DBGD C[C@](O)(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 1324433234 LIMIJLNDOYDLTR-UFBFGSQYSA-N 304.368 -0.880 50 20 DBGD C[C@@H](NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1329058565 BQIQRMKAENIKDD-SFYZADRCSA-N 317.333 -0.323 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)[C@H]1CN2CCN1C[C@H]2C 1548641901 BUEJTXVYRHJREM-PSASIEDQSA-N 309.395 -0.399 50 20 DBGD CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)[C@H]1CCN1 1574998987 VRWMZWISYBUQFE-UEUZTHOGSA-N 308.363 -0.266 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNC(=O)[C@H]2CCCNC2)CC1=O 1575596413 YKDQOTFFYFMBRI-NWDGAFQWSA-N 310.398 -0.362 50 20 DBGD C[C@@]1(C(=O)NNC(=O)COc2ccc(F)cc2)C[C@@H](O)CN1 1576351339 YMBPXGZOIUBGMW-YGRLFVJLSA-N 311.313 -0.535 50 20 DBGD NC1CCN(CC(=O)NNC(=O)NCc2ccccc2)CC1 1580190019 MOYCGTLRVKRKMI-UHFFFAOYSA-N 305.382 -0.060 50 20 DBGD CN(C)C(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CC1 1590999818 QUYFIVNHQXAXJQ-UHFFFAOYSA-N 316.325 -0.427 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1604203808 TWGLZIAYWVCQGX-BDAKNGLRSA-N 319.358 -0.302 50 20 DBGD O=C(O)CC[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccnn2)O1 1608736666 PRPLXMDGPOFXAI-WCBMZHEXSA-N 308.294 -0.350 50 20 DBGD O=C(C(O)O)N1CC2(CCCN2C(=O)CCBr)C1 1842637194 OBEBCPDSLKUZMW-UHFFFAOYSA-N 321.171 -0.715 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1O 267519443 XDSWOIOUYXITFB-UHFFFAOYSA-N 317.323 -0.009 50 20 DBGD C=CCCOCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 270453809 LFXMBTFDQNKLLV-LBPRGKRZSA-N 305.400 -0.040 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n[nH]1 273471990 JNFRSFVZXZPEBA-ZETCQYMHSA-N 317.371 -0.768 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)OC(C)(C)C)CC1=O 492819465 PAOHTAZPUMIFCI-SNVBAGLBSA-N 314.386 -0.048 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1=COCCO1 494742899 SJYIHCGYCGDYIO-UHFFFAOYSA-N 301.299 -0.453 50 20 DBGD CCN(CC(=O)NC(C)C)C(=O)c1ccc(B(O)O)c(F)c1 584926906 GMFBVRAIMCCGNA-UHFFFAOYSA-N 310.134 -0.508 50 20 DBGD O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584930553 MPBIZXUEJCFVIA-ZDUSSCGKSA-N 320.129 -0.611 50 20 DBGD C[C@H](CN1CCOC[C@H]1C)NC(=O)c1cc(B(O)O)ccc1F 584942908 ZQRLKIWPTPTAED-GHMZBOCLSA-N 324.161 -0.656 50 20 DBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](O)C(F)(F)F 584968927 PQYHTDCXCMTIPV-VHSXEESVSA-N 323.051 -0.063 50 20 DBGD C[C@H](CNC(=O)c1ccc(B(O)O)c(F)c1)c1nncn1C 584979017 IWLZHWDIASCJJI-MRVPVSSYSA-N 306.106 -0.833 50 20 DBGD CN(Cc1ncnn1CC(F)F)C(=O)c1cccc(B(O)O)c1 584983131 MPSVWUNLVONSOW-UHFFFAOYSA-N 324.096 -0.505 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CCCS(C)(=O)=O)n1 731185417 ILWBDCKMWZNRHX-UHFFFAOYSA-N 316.383 -0.528 50 20 DBGD CCS(=O)(=O)CC(C)=NNC(=O)[C@@H](C)CN1CCOCC1 733744880 VFOIRVIULSEZDJ-NSHDSACASA-N 319.427 -0.119 50 20 DBGD CC(C)CCn1cc(C(=O)NNC(=O)C(=O)N2CCCC2)nn1 740820677 PWWISWKVFQKIEH-UHFFFAOYSA-N 322.369 -0.292 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccccc1OC(F)F 764420435 AVENNXARQPJWMS-UHFFFAOYSA-N 303.221 -0.634 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccnc(F)c1 794904103 CVANHMCKHFDIBN-MRVPVSSYSA-N 302.331 -0.001 50 20 DBGD NS(=O)(=O)c1cnn(CC(=O)NNc2cccc(F)n2)c1 804771289 PYXNKJKBOVIWDT-UHFFFAOYSA-N 314.302 -0.792 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cn(C)nn2)cc1 808661603 XFYCEVNFBJMSTI-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD O=C1CNC(=O)c2ccc(C(=O)NNC(=O)C3CC3)cc2N1 814203450 ADOAXWJBSUJVGS-UHFFFAOYSA-N 302.290 -0.461 50 20 DBGD O=C(NCc1nnnn1CC1CC1)NNc1ncncc1F 814321288 OYGMYVXOJRLXGI-UHFFFAOYSA-N 307.293 -0.162 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1CCCC1 821757204 TYPWLUVAYZGZNI-UHFFFAOYSA-N 300.359 -0.246 50 20 DBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NN(C)[C@H](C)CO 823970960 NJMMMRXBBWHPPD-BDAKNGLRSA-N 321.424 -0.241 50 20 DBGD O=C(NNC(=O)N1CCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 825505628 OFSGRDIJKWXMJQ-NSHDSACASA-N 324.293 -0.299 50 20 DBGD CC(C)C(=O)NNC(=O)Cn1nnn(-c2ccccc2)c1=O 828868975 XGBDRSCBNGURGE-UHFFFAOYSA-N 304.310 -0.768 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C[C@H]1CCC(=O)N1 829505035 RTSIFLVJHBTSIK-SNVBAGLBSA-N 315.333 -0.307 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NC1CN(C(=O)O)C1 829619807 YTQAJTVEZCJINI-UHFFFAOYSA-N 322.321 -0.070 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 842591589 DOVICZKNHKZKBV-NKWVEPMBSA-N 322.774 -0.192 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)COc1ccccc1F 847286386 NVQNJCRDXCYQRJ-DTWKUNHWSA-N 309.297 -0.137 50 20 DBGD CCCS(=O)(=O)CC(=O)NNC(=O)c1cccc(F)n1 856424451 MASQOYPPOJYUAM-UHFFFAOYSA-N 303.315 -0.194 50 20 DBGD CC(C)CSCCNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858322321 SXLLWECIYUJTCS-SECBINFHSA-N 302.400 -0.015 50 20 DBGD COCCC(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858360919 BHXOLNWCDMEYGZ-SECBINFHSA-N 300.359 -0.342 50 20 DBGD Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 860436438 GNOXDYVODKEYPX-SNVBAGLBSA-N 319.321 -0.475 50 20 DBGD O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1COCCN1 861680720 BGTCZVXMFCPZRF-LBPRGKRZSA-N 322.365 -0.226 50 20 DBGD CCCOc1cccnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862458340 CWFMJLUEGKTMAV-SECBINFHSA-N 306.322 -0.090 50 20 DBGD Cc1nc2cccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)c2[nH]1 862460827 HGGVCMGWSDQWSC-JTQLQIEISA-N 301.306 -0.089 50 20 DBGD C#CC[C@H](CCOC)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 875920101 VXDYBRHNZFGZCJ-YPMHNXCESA-N 317.411 -0.204 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 906373128 QZAZMGSFCTYQJD-UHFFFAOYSA-N 321.380 -0.686 50 20 DBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)N1CCOCC1)C(C)C 931113934 IBCIJLJBKQQNGU-CYBMUJFWSA-N 300.359 -0.390 50 20 DBGD CC(C)NC(=S)NNC(=O)C1(S(C)(=O)=O)CCOCC1 1117697582 HECLQKOPRWFKAL-UHFFFAOYSA-N 323.440 -0.516 50 20 DBGD CCc1cnc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)s1 1255787038 UGXDVDDOSLPCHY-UHFFFAOYSA-N 322.350 -0.243 50 20 DBGD CCC[C@@H](O)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319399763 LMFZHBLPZSEVTP-DTWKUNHWSA-N 307.372 -0.945 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccn(C(F)F)n1 1319813753 IDXLPAHRASMIDP-LURJTMIESA-N 322.293 -0.526 50 20 DBGD Cn1nccc1CCNC(=O)NNC(=O)Cc1ccncc1 1321132029 XFSHXRUCIOQGKL-UHFFFAOYSA-N 302.338 -0.069 50 20 DBGD COCCn1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 1322140573 ISPCOZHDSCSUMO-LLVKDONJSA-N 314.367 -0.586 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NCC(=O)NCC(F)F)n1 1322483194 ATHKWBUVWVYQQA-UHFFFAOYSA-N 315.280 -0.285 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCc1nnnn1C1CC1 1323273391 GFFZOEVPXBIQSE-UHFFFAOYSA-N 316.325 -0.524 50 20 DBGD COCCCNC(=O)NNC(=O)c1cc(Cn2cccn2)on1 1324229078 GPRXYTRBBXXWIR-UHFFFAOYSA-N 322.325 -0.100 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cnc2c(cnn2C)c1 1324311470 FNCPZOYEDVIQPH-UHFFFAOYSA-N 312.355 -0.177 50 20 DBGD COCc1cc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)no1 1325846089 NYTLLFNIXPQRBE-QMMMGPOBSA-N 316.339 -0.359 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)cn1 1332158620 UBUISTJPQOXUNJ-ONGXEEELSA-N 306.322 -0.099 50 20 DBGD COc1cc(F)cc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 1342599866 DZDSWILHMOMIMW-UHFFFAOYSA-N 312.301 -0.518 50 20 DBGD O=C(NNC(=O)C1CCNCC1)c1cccc(-n2cncn2)n1 1580736301 ROOAZJISEFSKHF-UHFFFAOYSA-N 315.337 -0.577 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1590232125 CSKWAGUKXCWGOH-MRVPVSSYSA-N 315.326 -0.135 50 20 DBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)c2ncccn2)CO1 1595005327 NPRNOEZYTLKWHR-IUCAKERBSA-N 308.294 -0.493 50 20 DBGD O=C(O)CCCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1601978884 GCRRGCSCDFZUFR-UHFFFAOYSA-N 318.293 -0.322 50 20 DBGD N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1795077305 BDXYQKROXFBCCH-WYFGTUCQSA-N 315.757 -0.911 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)Cn2ccccc2=O)n1 45288335 BEGKGMGYGTUTHQ-UHFFFAOYSA-N 303.322 -0.491 50 20 DBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(Cl)nn2)O1 268485225 TTXFXUOTGKJKIG-BQBZGAKWSA-N 314.733 -0.211 50 20 DBGD C#Cc1ccccc1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 289550439 OSMAYAPXGQQIMP-ZDUSSCGKSA-N 320.370 -0.208 50 20 DBGD NC(=O)c1ccccc1NCC(=O)NNC(=O)[C@@H]1CCCCO1 295553885 MEKJURKENPSVAH-LBPRGKRZSA-N 320.349 -0.086 50 20 DBGD COCCN1C[C@@H](C(=O)NNC(=O)c2cccnc2)CC1=O 298361507 NRMQSGULEYCDOA-NSHDSACASA-N 306.322 -0.663 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 496923075 QXZOSBHRSQNDJJ-UHFFFAOYSA-N 322.364 -0.018 50 20 DBGD O=C(CCC(=O)N1CCC(O)CC1)Nc1cccc(B(O)O)c1 584910947 FJSDXZOHKLFKRU-UHFFFAOYSA-N 320.154 -0.932 50 20 DBGD O=C(NCCCOC[C@@H]1CCCO1)c1ccc(B(O)O)cc1 584945145 OLTVJFJELSFJMX-AWEZNQCLSA-N 307.155 -0.318 50 20 DBGD CN(CCO)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584968028 RDMFMTIHVXUEFU-UHFFFAOYSA-N 324.161 -0.966 50 20 DBGD NC(=O)CCC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584969470 MJGMRRHKMSWFSD-UHFFFAOYSA-N 322.145 -0.377 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)c2cc(B(O)O)ccc2F)n1 584973254 FBTNKZFIXPMUBS-VIFPVBQESA-N 321.117 0.162 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](C(=O)N2CCCC2)C1 584989784 JFMKEHUTAFFYNY-CYBMUJFWSA-N 316.166 -0.549 50 20 DBGD CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 585010504 SUDOHRCJMABMFW-LBPRGKRZSA-N 308.118 -0.802 50 20 DBGD Cc1cc(C(=O)NNC(=O)C(=O)NC2CC2)c2n[nH]cc2c1 726524323 RYJVGAZWEFOKLI-UHFFFAOYSA-N 301.306 -0.089 50 20 DBGD C[C@H](C(=O)NNC(=O)CCc1ccccc1O)S(C)(=O)=O 730033753 RNZLWCMJOCOYKA-SECBINFHSA-N 314.363 -0.095 50 20 DBGD NC(=O)C(=O)NN=C1CCS(=O)(=O)c2cc(F)c(F)cc21 731923292 DEKTTZQCIMEHIM-UHFFFAOYSA-N 317.273 -0.552 50 20 DBGD C[C@@H]1CN(C)CC1=NNC(=O)CSc1nnc(O)nc1O 752162016 ZOBJPMUYACNQDZ-ZCFIWIBFSA-N 312.355 -0.571 50 20 DBGD CNC(=O)N1CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC1 753423924 KZWOJGQLYZVBTP-NSHDSACASA-N 313.402 -0.475 50 20 DBGD CCCCSCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758034544 HCQOHODHWPPBTN-QMMMGPOBSA-N 311.429 -0.395 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 761161642 UTWSAQANPLCFMA-UHFFFAOYSA-N 316.321 -0.438 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)Cc2ccccc2F)nn1 763043003 AHNZJWPRMIRROP-SECBINFHSA-N 321.312 -0.139 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCSC1 763824705 LXRWIEHFCQFVJE-SNVBAGLBSA-N 308.363 -0.288 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(C#N)c1C 764326385 GNKHVTSOEUOYPR-UHFFFAOYSA-N 304.306 -0.011 50 20 DBGD CCO[C@H]1COCC[C@H]1NCC(=O)NNC(=O)C(C)(C)C 776485219 OWBOFZXPLNJJRM-MNOVXSKESA-N 301.387 -0.037 50 20 DBGD O=C(CO)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1 777782015 VBRCBDAPKZQUFS-UHFFFAOYSA-N 313.741 -0.010 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)/C=C\c1ccc(O)c(O)c1 779489722 SPYSRNYKHWMPFV-XQRVVYSFSA-N 307.306 -0.217 50 20 DBGD COC(=O)CNC(=O)NNC(=S)NC[C@@H]1CCCCO1 779721310 NWCNYPYTKLFJRZ-QMMMGPOBSA-N 304.372 -0.593 50 20 DBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)N=c1cc[nH]cc1 802028299 RLMDIQCWVONSJM-SNVBAGLBSA-N 308.342 -0.117 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cccc(C(N)=O)n1 807371912 UDWFGSUALCJJRY-UHFFFAOYSA-N 324.337 -0.269 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NN(C)[C@H](C)CO)ccc1F 823947015 RMULHRGTVSELAI-MRVPVSSYSA-N 319.358 -0.309 50 20 DBGD CCOCCOCCCC(=O)NNC(=O)C(=O)N1CCCC1 824876601 BVUQTZOKSMQWAY-UHFFFAOYSA-N 315.370 -0.411 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)Cc2cc[nH]n2)n1 826666452 FLTWBEAVJHECGT-UHFFFAOYSA-N 306.330 -0.916 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)sn1 832674362 DHZFUFAAUNZTSO-JGVFFNPUSA-N 312.351 -0.038 50 20 DBGD O=C(NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1)C(=O)N1CCCC1 833148892 AMMPUOBTAQSBFT-UWVGGRQHSA-N 311.338 -0.353 50 20 DBGD COCCNCCNC(=O)NNC(=O)COc1ccc(C)cc1 841968675 SEVRACIWHRLTLA-UHFFFAOYSA-N 324.381 -0.060 50 20 DBGD COC(=O)c1ccc(NNC(=O)Cn2nc(C)n(C)c2=O)nc1 847615770 FRDWOXNWZAJIEX-UHFFFAOYSA-N 320.309 -0.785 50 20 DBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1cc[nH]n1 855359183 ISGUWOJITOBPHR-UHFFFAOYSA-N 302.356 -0.368 50 20 DBGD C[C@@H](NC(=O)CC(C)(C)C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862462349 WDBKUFKYVIXAQF-RKDXNWHRSA-N 312.370 -0.647 50 20 DBGD COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C1 863463412 ZCNKZWSAFZKLGB-BDAKNGLRSA-N 320.367 -0.842 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCN2CCCC[C@H]12 916638506 HEOUGRPIIBQWMC-WDEREUQCSA-N 309.370 -0.778 50 20 DBGD Cc1cc(C)n(CCC(=O)NNC(=O)CN2CCCC2=O)n1 920435569 JSXDKQPQZSEPFR-UHFFFAOYSA-N 307.354 -0.340 50 20 DBGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)CC1CC1 1116620883 NSKAOFWYOWPQMY-UHFFFAOYSA-N 306.322 -0.420 50 20 DBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C(N)=O)nn1 1261841204 IFDKWIPPAZXNNZ-HTQZYQBOSA-N 301.310 -0.444 50 20 DBGD O=C(CN1CCC(=O)NC1=O)NNc1nc2ccccn2n1 1321853464 NVIUBBDUZHISTB-UHFFFAOYSA-N 303.282 -0.886 50 20 DBGD CN1CCC(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 1323404595 DOUQXFQDZAXAEC-UHFFFAOYSA-N 308.338 -0.501 50 20 DBGD O=C(CN1C[C@@H](CO)[C@H](CO)C1)NNC(=O)c1cccs1 1328920163 YUKGEFZFKXBGGR-UWVGGRQHSA-N 313.379 -0.958 50 20 DBGD CN(NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 1329151070 DFYGQUBANVVVAU-MWLCHTKSSA-N 315.395 -0.853 50 20 DBGD C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329977639 DYMUDTHYZIGGML-BDAKNGLRSA-N 300.359 -0.608 50 20 DBGD O=C(NCCn1cccc1)NNC(=O)C(=O)Nc1ccccn1 1332398676 ZSMPYLQXCHESJI-UHFFFAOYSA-N 316.321 -0.148 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)OCC(F)(F)F 1352443167 JGIDCKJEERZIBP-YUMQZZPRSA-N 310.276 -0.306 50 20 DBGD O=C(/C=C\[C@@H]1CCCNC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1580493906 MZZHZPQVDMNEAU-WZQADMAKSA-N 315.395 -0.876 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)O)cc1 1590939912 DJXBQJVBBFVRAK-UHFFFAOYSA-N 323.305 -0.108 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(CC(=O)O)cc1 1593352510 CAOXYJBNYWFJGE-MRVPVSSYSA-N 315.351 -0.306 50 20 DBGD Nc1cnnc(NNC(=O)[C@H]2CC[C@@H](C(=O)O)O2)c1Cl 1601218462 LBGPBWLSRMJQPU-RITPCOANSA-N 301.690 -0.213 50 20 DBGD O=C(NN=Cc1cc(C(=O)O)no1)N[C@H]1CCS(=O)(=O)C1 1601552653 CMFQOALWJCVFRT-LURJTMIESA-N 316.295 -0.807 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN(c2ncccc2F)C1 1601552950 OTDBRAOLKYHZNQ-ZETCQYMHSA-N 311.273 -0.786 50 20 DBGD Cn1cc(C[C@H]2CCC[C@H]2NC(=O)NNC(=O)C(=O)O)cn1 1608109435 CWGPPUVVVGHDJK-NXEZZACHSA-N 309.326 -0.454 50 20 DBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C(C)C 45064326 XIFINPUNFAUSKE-SECBINFHSA-N 316.358 -0.571 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C)C(=O)C1 137603375 AQYWXCCHJMBVQP-UHFFFAOYSA-N 318.377 -0.541 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)NC(=O)CC(C)(C)C 275097053 DPLMNYSQWFLKRI-SECBINFHSA-N 314.386 -0.401 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CN1C(=O)COc2ccccc21 276316635 VWESNMHZSRXKPQ-UHFFFAOYSA-N 307.306 -0.670 50 20 DBGD COC(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 276750081 GIXQCPPZKMMFPR-UHFFFAOYSA-N 317.323 -0.131 50 20 DBGD O=C(CC1CC1)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 294264143 UOSGMNCCVJDALF-GFCCVEGCSA-N 324.362 -0.336 50 20 DBGD CNC(=O)CCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 495525060 MFQOGCZOCQBKTH-UHFFFAOYSA-N 316.358 -0.425 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCN2CCCC[C@@H]2C1 584938459 GJOCYEVYNLNDJQ-GFCCVEGCSA-N 306.146 -0.184 50 20 DBGD O=C1C[C@]2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CN1 584953904 ADUSBKOSZLDNNR-OAHLLOKOSA-N 302.139 -0.891 50 20 DBGD CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584976472 RKKFVVHYLIEHGZ-CHWSQXEVSA-N 311.118 -0.571 50 20 DBGD COCC1(NC(=O)c2cc(B(O)O)ccc2F)CCOCC1 584991577 CWYIFZNUGNCRLF-UHFFFAOYSA-N 311.118 -0.569 50 20 DBGD CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(B(O)O)c(F)c1 584999986 VSWBMPVRDFLPCU-GWCFXTLKSA-N 311.118 -0.713 50 20 DBGD O=S(=O)(NCB(O)O)c1cc2nc(Cl)ncc2s1 585057159 OAEUQDOCAOOUSG-UHFFFAOYSA-N 307.549 -0.365 50 20 DBGD CC(C)NS(=O)(=O)c1cccc(C(=O)NCB(O)O)c1 585058905 SXFZFVUEKJRCMI-UHFFFAOYSA-N 300.145 -0.885 50 20 DBGD Cc1nnc2ccc(C(=O)NNC(=O)N3CCOCC3)cn12 726163101 JLUATFJOVSYBIU-UHFFFAOYSA-N 304.310 -0.276 50 20 DBGD CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1 749821527 BXNBKHLITQMFJP-MRVPVSSYSA-N 306.388 -0.603 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](CC(=O)OC)C1 752337034 KWNZRLNDIAKRDN-NXEZZACHSA-N 301.343 -0.804 50 20 DBGD CN(C)C1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCC1 763038592 CESCLVVQWLRHNY-UHFFFAOYSA-N 308.338 -0.359 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccccc2OCC(N)=O)n[nH]1 768278303 LDRWMKWGGQEBMF-UHFFFAOYSA-N 317.305 -0.343 50 20 DBGD O=C(CO)NNC(=O)CCCNC(=O)NC1CCCCC1 777781043 FMBPEAKEDKCQJE-UHFFFAOYSA-N 300.359 -0.462 50 20 DBGD COC(=O)CNC(=O)NN=C1C(=O)Nc2ccc(OC)cc21 779822853 HQODOOZMKBCACU-UHFFFAOYSA-N 306.278 -0.176 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 780705706 FCOSHLOMSVPRFH-QMMMGPOBSA-N 308.404 -0.357 50 20 DBGD COCC[C@@H]1COCCN1CC(=O)NNC(=O)C(C)(C)C 812888385 XHNXCKZRVQPYBN-LLVKDONJSA-N 301.387 -0.083 50 20 DBGD O=C(NN=Cc1c[nH]c(C(=O)O)c1)N[C@H]1CCS(=O)(=O)C1 814814243 DAYNMLXUADZVIN-QMMMGPOBSA-N 314.323 -0.467 50 20 DBGD CN(NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CC1 819648956 YWCALDFJPZLYGW-FPQZTECRSA-N 307.350 -0.336 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CC1)OCCO2 827266187 AVEDPVBXWNPNPX-QWRGUYRKSA-N 313.354 -0.009 50 20 DBGD Cc1cc(F)ccc1NNC(=O)CNS(=O)(=O)N(C)C 830796881 GJQNFBYOJWKUSF-UHFFFAOYSA-N 304.347 -0.027 50 20 DBGD C[C@H](CN)CNC(=O)NNC(=O)COc1ccccc1C#N 841961896 FGDDMYGOSHNBDV-SNVBAGLBSA-N 305.338 -0.138 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 854180336 KPGMBLCMIOBUGX-VXGBXAGGSA-N 310.306 -0.365 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCC[C@@H]2CCCCO2)N1 858362167 QAQZTYMXUWTHDO-WDEREUQCSA-N 312.370 -0.055 50 20 DBGD Nc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] 861202347 LSGABOLRVPZUGI-QMMMGPOBSA-N 322.281 -0.392 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2ccccc2Cl)N1 863414469 XMXSSXCELIZPRI-MRVPVSSYSA-N 317.754 -0.072 50 20 DBGD C[C@H](O)CN(C)NC(=O)Cc1cccc(NS(C)(=O)=O)c1 910168164 QEGOAHKADRGZBQ-JTQLQIEISA-N 315.395 -0.056 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 915957361 JMPTXLLSAJWHIA-MRVPVSSYSA-N 314.319 -0.049 50 20 DBGD C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)[C@@H]1CCC(=O)N1 1118861088 XLIQFKQDMSTBHO-SCZZXKLOSA-N 319.365 -0.036 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCc2nnc(O)cc2C1 1255185004 VFOQIDMGIQNYSS-UHFFFAOYSA-N 307.354 -0.266 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCOC[C@@H]1C 1261451766 HVIYUYIFOYUFCE-SRVKXCTJSA-N 314.386 -0.538 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)Cc1ccccc1F 1318365582 ZUDAGYRNTRHDRS-SNVBAGLBSA-N 322.296 -0.496 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(O)nn1 1318438328 AAGGAJYTNQFNKB-UHFFFAOYSA-N 312.289 -0.007 50 20 DBGD Cn1cccc(NC(=O)C(=O)NNC(=O)c2ccccc2)c1=O 1320088819 FYKIEVGIYQULAQ-UHFFFAOYSA-N 314.301 -0.215 50 20 DBGD O=C(CCO)NNC(=O)Nc1ccccc1CN1CCNC1=O 1321215495 RYMGPCLLQPJCCG-UHFFFAOYSA-N 321.337 -0.253 50 20 DBGD COc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)cc1 1321316965 RQMXHILNEQYGQS-LLVKDONJSA-N 306.322 -0.130 50 20 DBGD CC(=O)NNC(=O)c1c(I)cnn1C 1327774032 XNJVHBCENUKLDV-UHFFFAOYSA-N 308.079 -0.194 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCc2ccc(F)cc2)N1 1328752769 XYJKXIHLUXVIBT-LLVKDONJSA-N 308.313 -0.023 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCC(=O)N1CCC[C@H](C)C1 1351535593 FIIIRJCJZHSHPK-VIFPVBQESA-N 314.342 -0.862 50 20 DBGD O=C(CO)NNC(=O)c1ccc(OCCc2cnn[nH]2)cc1 1577952996 ZHERCSDNFQELIO-UHFFFAOYSA-N 305.294 -0.821 50 20 DBGD NCCCn1cc(C(=O)NNC(=S)NCC2CCC2)nn1 1580306613 MWAYSXOUOQBNME-UHFFFAOYSA-N 311.415 -0.464 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNc1ncc(Br)cn1 1604434280 JMRLFIARLYNKNK-YFKPBYRVSA-N 305.088 -0.218 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ccc(C(=O)O)cn1 1605727954 SIPMAGMNPZPIHE-UHFFFAOYSA-N 302.312 -0.838 50 20 DBGD NCC(=O)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1809667472 FBDLUPFUJABQCE-NSHDSACASA-N 317.817 -0.224 50 20 DBGD Cn1cccc1C=NNC(=O)C(=O)NN=Cc1cccn1C 254807728 CCPGWVYHDYPHKV-UHFFFAOYSA-N 300.322 -0.036 50 20 DBGD O=C(NC[C@H]1CSCCS1)NNC(=O)C(=O)NC1CC1 268172195 VBISPMRUPAJKJE-QMMMGPOBSA-N 318.424 -0.556 50 20 DBGD CSC1(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 279911760 FIMNAJXSROESAP-UHFFFAOYSA-N 300.384 -0.165 50 20 DBGD CO[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C1CC1 280180037 CNFXPLJYUCTKGU-LBPRGKRZSA-N 306.322 -0.616 50 20 DBGD CCc1occc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 281450945 FYWMHKKZEQLBFP-SSDOTTSWSA-N 303.340 -0.459 50 20 DBGD C[C@@H]1C[C@@H](C)[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)O1 282343913 ZUZGTNKUMGAOBQ-KBVBSXBZSA-N 309.322 -0.030 50 20 DBGD COC(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 490616876 UIJOFBNBBXEGOM-UHFFFAOYSA-N 305.287 -0.509 50 20 DBGD CCN1CCC(C#N)(NC(=O)c2cc(B(O)O)ccc2F)CC1 584963756 XQELSBCRKQKCEM-UHFFFAOYSA-N 319.145 -0.387 50 20 DBGD C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1cc(B(O)O)ccc1F 584978473 ZLEIPMSPMUGQMB-WDEREUQCSA-N 324.161 -0.967 50 20 DBGD OC[C@H](C[C@H](O)c1ccccc1)NCc1ccc(B(O)O)cc1 585034124 IQNXALXKRSSTNT-IRXDYDNUSA-N 315.178 -0.059 50 20 DBGD CN(C)C(=O)c1ccc(CNCc2ccc(B(O)O)cc2)cn1 585037139 SGXNKCWVXSYKEF-UHFFFAOYSA-N 313.166 -0.247 50 20 DBGD O=C(NCc1ccccc1)NC1(C(=O)NCB(O)O)CCCC1 585055163 YPFQSXQYIXWMND-UHFFFAOYSA-N 319.170 -0.073 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)no1 729277220 WDTSMPQZDWHWLV-LURJTMIESA-N 305.316 -0.927 50 20 DBGD CC(C)(CNC(=O)NNC(=O)C(C)(C)C)NS(C)(=O)=O 731685110 UCATULHEIYWLIQ-UHFFFAOYSA-N 308.404 -0.309 50 20 DBGD Cn1cc(C(=O)NNC(=O)CS(=O)(=O)C2CCCC2)cn1 735446018 PCBNNCDLVRKUKA-UHFFFAOYSA-N 314.367 -0.462 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=S)NCCCC(=O)O 736898835 DZJRFMPCCSEDCI-UHFFFAOYSA-N 318.399 -0.349 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 761136084 AVVSFNVKRAXVFM-UHFFFAOYSA-N 318.131 -0.533 50 20 DBGD COc1ccc(NNC(=O)c2cn(C)c(=O)n(C)c2=O)nc1 781525232 IBRGIRJTWKQSIA-UHFFFAOYSA-N 305.294 -0.756 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)NC2CC2)c(=O)c1 791127068 AUNWFUJERYTNGB-AWEZNQCLSA-N 308.338 -0.599 50 20 DBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1cc(C)n(C)n1 799879297 XMOSMUQCCJOCMU-VIFPVBQESA-N 301.372 -0.494 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@H](CO)[C@H](O)C1 808750685 NDMDZWOGEIKNEE-SDDRHHMPSA-N 301.387 -0.757 50 20 DBGD Cn1nncc1NC(=O)NNc1ccc(-n2ccnc2)nn1 809904497 QFKXDSATZZBDOS-UHFFFAOYSA-N 300.286 -0.061 50 20 DBGD CC(C)C(=O)N[C@@H](CO)C(=O)NN=c1cc[nH]cc1Cl 813519367 WHHNSZIXNDOAIC-JTQLQIEISA-N 300.746 -0.267 50 20 DBGD COc1ccnc(NNC(=O)c2cc(-c3nn[nH]n3)cn2C)n1 821903649 IXPLIDFFXGZHGD-UHFFFAOYSA-N 315.297 -0.239 50 20 DBGD O=C(NNC(=O)C1CC1)c1cccc(CN2C(=O)CNC2=O)c1 825117296 ZLGCFTJQRMRYJN-UHFFFAOYSA-N 316.317 -0.091 50 20 DBGD Cc1onc(CC(=O)NNC(=O)NC(C)C)c1-c1nn[nH]n1 826348668 XWCGKCQHPYVIDW-UHFFFAOYSA-N 308.302 -0.556 50 20 DBGD COC(=O)COCCNC(=O)NNC(=O)Cc1cccnc1 858190807 NZKGIQINECNQBW-UHFFFAOYSA-N 310.310 -0.856 50 20 DBGD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858244960 LTSWULYZVOVAEC-MKHNBGRSSA-N 310.354 -0.591 50 20 DBGD CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452471 LMCBKLHDDDPKGW-UWVGGRQHSA-N 310.354 -0.797 50 20 DBGD Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862461369 OOKPRBHPNABDLT-JTQLQIEISA-N 307.354 -0.014 50 20 DBGD C[C@@H](Oc1ccc(C=O)cc1)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862462849 TZNOWBXUVLJLBL-SKDRFNHKSA-N 319.317 -0.308 50 20 DBGD C[C@H]1CCCc2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)n21 862463966 POTZVMCUHLSUMS-DTWKUNHWSA-N 305.338 -0.180 50 20 DBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 863412871 NYKHHKKDIRYUMB-OPRDCNLKSA-N 318.399 -0.892 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)OC[C@@H]1CCCO1 869908983 DOYFNIUHZOBNJO-QWRGUYRKSA-N 304.343 -0.619 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cccc2c1OCCO2 921304589 WZHCUKHBLADVTF-UHFFFAOYSA-N 307.306 -0.257 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2ccccc2)c(O)nc1=O 1256692367 PYIBYYLRPBBQSZ-UHFFFAOYSA-N 303.278 -0.048 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](c1cccs1)N(C)C 1318881623 AMVFKRLCFGQMKD-MRVPVSSYSA-N 314.367 -0.146 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)CN2C(=O)CNC2=O)cc1 1322437738 XWTUFPVRFOYVDE-UHFFFAOYSA-N 319.321 -0.894 50 20 DBGD O=C(NN=C1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1327803124 YAAFVLVQSLMNFQ-MRVPVSSYSA-N 308.381 -0.898 50 20 DBGD C[C@@H](NC(=S)NNC(=O)c1cnn2c(=O)cc[nH]c12)C1CC1 1328357625 WGQGIKYUOSOGCN-SSDOTTSWSA-N 320.378 -0.070 50 20 DBGD COc1cccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 1328757611 OKOOBZSPCSGSPX-LLVKDONJSA-N 306.322 -0.196 50 20 DBGD O=C1NCC2(CCN(C(=O)NNC(=O)c3cn[nH]c3)CC2)O1 1353084592 DDWRBPWWVJXMIG-UHFFFAOYSA-N 308.298 -0.662 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)C[C@@H](O)CN2)cc1 1574156732 PPPXCTABRIUNSD-IAQYHMDHSA-N 307.350 -0.366 50 20 DBGD O=C(NNC(=O)[C@@H]1CC[C@H]1C(=O)O)c1nc[nH]c2ncnc1-2 1574578811 PWKIESSEMIMPDA-PHDIDXHHSA-N 304.266 -0.824 50 20 DBGD COC(=O)NCCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1579464452 LBOHISUNWJJNBV-UHFFFAOYSA-N 321.301 -0.756 50 20 DBGD O=C(C[C@]1(O)CCCNC1)NNC(=O)c1n[nH]c2c1CCCC2 1580497787 JRBKMLNYUOKJRD-OAHLLOKOSA-N 321.381 -0.446 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)Cc2ccncc2)n1 1595151683 ITJOVRHALLTYBB-UHFFFAOYSA-N 318.293 -0.242 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C\c2cc(C(=O)O)co2)CC1 1598606408 CTQMTWLCVHOVBB-IHWYPQMZSA-N 322.321 -0.021 50 20 DBGD O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1F 1602393295 UMODGBQZYALWSD-SSDOTTSWSA-N 317.103 -0.239 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@](COC)(C(=O)O)C1 1603486272 ITYBGZRDRAQELC-ZANVPECISA-N 301.343 -0.645 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)O 1604860320 UXAOPTMWXNAYOU-UHFFFAOYSA-N 309.278 -0.111 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccc(C(=O)O)n2C)CC1 1606234467 IWNOZXSJXYLABG-UHFFFAOYSA-N 309.326 -0.675 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)c1cccc(F)c1 263790413 HMJWAUWYGHPHPE-UHFFFAOYSA-N 324.312 -0.773 50 20 DBGD CCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)C1CCC1 264699667 DQRKCWALDUCPCX-UHFFFAOYSA-N 316.339 -0.304 50 20 DBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNc2cccnn2)C1 265458552 DNLAOHLPKONFKH-SECBINFHSA-N 314.371 -0.473 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2cncc(Cl)n2)O1 268475438 ZOJGQQKBZCHQCJ-RNFRBKRXSA-N 314.733 -0.211 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)COc1ccccc1OC 270497307 LUKXSZGHUFLOLY-UHFFFAOYSA-N 310.310 -0.850 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1cc(Cl)nc(N)n1 273444724 GNGUGRMCGSVXEA-BYPYZUCNSA-N 308.751 -0.907 50 20 DBGD COC(=O)N(C)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 286282050 IRUCFUWDQLHOQO-VHSXEESVSA-N 308.294 -0.313 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O 289868493 WEZSKKGVBJWZBT-RYUDHWBXSA-N 305.334 0.000 50 20 DBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1COCCO1 298447426 WQLKPPYINGQSFB-GFCCVEGCSA-N 304.306 -0.401 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 493872524 GTEHHBMRZFKYFR-UHFFFAOYSA-N 307.288 -0.249 50 20 DBGD O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(B(O)O)cc1 584970962 WDZFLVDWTTVBJY-ZFWWWQNUSA-N 305.139 -0.566 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)ccc1F 729835574 CPWSHEJIWZBJKO-UHFFFAOYSA-N 317.342 -0.032 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)C1CCC1 732292512 NSVHXCNLXOXIGF-UHFFFAOYSA-N 300.340 -0.766 50 20 DBGD Cc1nonc1C(=O)NNC(=O)CNC(=O)c1cccs1 733929769 LBXVXOOZVKEIRL-UHFFFAOYSA-N 309.307 -0.369 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)NC(C)=O 740852617 FOHWBSVANDGKOC-UHFFFAOYSA-N 300.359 -0.647 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1O 768765741 GOSBILWFTDLGCH-ZWNOBZJWSA-N 302.334 -0.368 50 20 DBGD CC(C)[C@]1(C)C[C@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 776139318 QEAABXCDKDXZPX-AUTRQRHGSA-N 305.400 -0.246 50 20 DBGD CCc1ccc(C(=O)NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 816820932 GDIGTNATOFYNEO-MGPQQGTHSA-N 320.345 -0.577 50 20 DBGD CCC(=O)N1CCN(C(=O)NNC(=O)Cc2cccnc2)C1 822951112 KLDFCWWSNIGIKN-UHFFFAOYSA-N 305.338 -0.123 50 20 DBGD O=C(NNC(=O)c1ccc(-c2nn[nH]n2)s1)c1cnn[nH]1 823277529 OTPUAMVVQYAREU-UHFFFAOYSA-N 305.283 -0.879 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)Cc1nnc(O)o1 852187923 DFRLGNGYPAUCLR-UHFFFAOYSA-N 311.323 -0.270 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)N1CCN(C)CC1 854379377 ZLRLOABRTUUFCY-JTQLQIEISA-N 314.390 -0.798 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CCn1ccnn1 855829095 GBCMECWAGIKJKP-UHFFFAOYSA-N 324.385 -0.242 50 20 DBGD CN(C/C=C\C(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC(F)(F)F 862462292 PJHUVPIJJKEDRQ-KZUAUGPASA-N 322.287 -0.537 50 20 DBGD CCNC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 920858738 QLDFQQXHZUBOKJ-OINDSLJFSA-N 306.322 -0.856 50 20 DBGD CNC(=O)Cc1ccccc1NC(=O)NNC(=O)CN(C)C 1116674262 XGRBCHUFMQHRAD-UHFFFAOYSA-N 307.354 -0.311 50 20 DBGD CC(C)NC(=S)NNC(=O)Cn1nc2n(c1=O)CCCC2 1118234659 KKSJKKOJHLELOF-UHFFFAOYSA-N 312.399 -0.715 50 20 DBGD O=C(Cc1n[nH]c2c1CCCC2)NNC(=O)C(=O)NC1CC1 1322736148 SRKMFCHNDMXHDV-UHFFFAOYSA-N 305.338 -0.743 50 20 DBGD Nc1cnnc(NNC(=O)NC[C@@H]2COCCN2)c1Cl 1329053386 HNIOQXSICBRJLA-ZCFIWIBFSA-N 301.738 -0.673 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 1344117279 WDUOMWCWKLJAFD-UHFFFAOYSA-N 306.278 -0.251 50 20 DBGD CCN(CCO)NC(=O)c1n[nH]cc1I 1352229366 JCGSLDOKNPRBOI-UHFFFAOYSA-N 324.122 -0.027 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1357901151 PUJFNVZBNSUWAM-SGMGOOAPSA-N 305.334 -0.177 50 20 DBGD C=CC(=O)N(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 1588466705 JTJLJHWQKBIZIF-UHFFFAOYSA-N 301.310 -0.046 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc(C(=O)O)cn1 1589424944 IIXZBOUBSOPRBL-LURJTMIESA-N 310.266 -0.723 50 20 DBGD Cc1nnc(NNC(=O)C(=O)Nc2ccccc2C(=O)O)n1C 1594493244 WESVORHLTVNQPO-UHFFFAOYSA-N 318.293 -0.096 50 20 DBGD Cn1nccc1/C=C(\C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 45111431 NZYVQMQUKJDCCP-SOFGYWHQSA-N 314.305 -0.810 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)NC1CC1 64900462 CDQXMAWMYGFGHR-ZCFIWIBFSA-N 308.260 -0.110 50 20 DBGD COCCN(C(=O)c1cc(B(O)O)ccc1F)[C@@H](C)COC 584945042 FOVOVOYGCIYKHU-JTQLQIEISA-N 313.134 -0.371 50 20 DBGD COC[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H]1CCCO1 584984250 WHDXZIIBRDILJC-OLZOCXBDSA-N 311.118 -0.571 50 20 DBGD OB(O)c1ccc(CNC2CCN(C[C@H]3CCOC3)CC2)cc1 585025300 QRCKXCJKDQJPMK-OAHLLOKOSA-N 318.226 -0.043 50 20 DBGD O=C1NCCc2ccc(CNCc3ccc(B(O)O)o3)cc21 585034851 MOIVUENTOACATP-UHFFFAOYSA-N 300.123 -0.465 50 20 DBGD Cn1ccnc1[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCO1 585044863 WLQMLDVWQUOUQA-CMPLNLGQSA-N 305.143 -0.297 50 20 DBGD COc1ccc([C@@H](CO)CNCc2ccc(B(O)O)o2)cc1 585045754 HDQKHLOPMQZZOH-GFCCVEGCSA-N 305.139 -0.166 50 20 DBGD Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCB(O)O)c1 585056200 QORAKAOOKYGZMQ-UHFFFAOYSA-N 308.508 -0.153 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCC1 729258529 AVYNKSWCXUSGQZ-UHFFFAOYSA-N 319.317 -0.126 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NN=c1cc[nH]c2ccccc12 732290356 VAHPXZCFVSKXPZ-UHFFFAOYSA-N 315.333 -0.648 50 20 DBGD Cc1nonc1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 733919248 MYKLZCFPJMPNBR-UHFFFAOYSA-N 324.318 -0.144 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(C)(C)NC(=O)O 736900874 UGUQDORDOYOLAB-UHFFFAOYSA-N 302.331 -0.515 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CSCC(=O)O)n1 740074473 ZHVZJMMRJYNDIQ-UHFFFAOYSA-N 300.340 -0.535 50 20 DBGD Cc1c(C(=O)OCC(=O)NNC(=O)c2cccs2)nnn1C 745163877 PLCKIBNKKGJSDL-UHFFFAOYSA-N 323.334 -0.197 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)OC)c1 764299034 AWVJOROZPAOWHZ-UHFFFAOYSA-N 309.278 -0.795 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 771609730 PSCCEYQEDLMIRH-JTQLQIEISA-N 319.317 -0.160 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(N)=O)s1 772065144 HHYRFZFBLZKGPN-ZCFIWIBFSA-N 313.335 -0.050 50 20 DBGD Cc1ccc(NNC(=O)NC2CC(NS(C)(=O)=O)C2)nn1 801069128 VOGGKESZTDVFTJ-UHFFFAOYSA-N 314.371 -0.509 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NNC(=O)OC(C)(C)C 821159816 HOASRPLXAXMEIE-JGVFFNPUSA-N 323.371 -0.463 50 20 DBGD CCNC(=O)NNC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 822782669 ZPWQCALALVYFQV-MRVPVSSYSA-N 300.315 -0.177 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 826308081 JAJNVNNXCOUNJP-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1nc[nH]n1 826445909 QMUWHWUBTIKXEY-UHFFFAOYSA-N 306.677 -0.210 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC(=O)N1 831763158 LRZJZPHNUUSKQI-SECBINFHSA-N 324.768 -0.079 50 20 DBGD O=C(CN1CCC[C@@H](N2CCOCC2)C1)NNC(=O)C1CC1 846936829 OWOSZXCNBSJUHS-CYBMUJFWSA-N 310.398 -0.660 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccn(CCN(C)C)n2)n[nH]1 847627449 ZZQCYMGXJOVLAJ-UHFFFAOYSA-N 305.342 -0.449 50 20 DBGD O=C(C[C@H]1CC(=O)N1)NNC(=O)[C@H]1COc2ccccc2O1 854179905 HYYORTRAIRXDLH-LDYMZIIASA-N 305.290 -0.748 50 20 DBGD CC[C@@H]1CN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)C[C@@H](CC)O1 858702511 LUAJPLCRIXMCMI-GMTAPVOTSA-N 312.370 -0.105 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCN(c3ccccc3)C2)N1 862462867 ZNHXZUCTCDGWKC-WCQYABFASA-N 316.361 -0.061 50 20 DBGD O=C1CC[C@H](C(=O)NN=C2CCN(c3cnccn3)CC2)N1 863145114 JTTHDCUQLQBLJY-LLVKDONJSA-N 302.338 -0.172 50 20 DBGD O=C1CC[C@@H](C(=O)NN[C@H](C(=O)NC2CC2)c2ccccc2)N1 863378739 JKPQTZOPLPTANZ-JSGCOSHPSA-N 316.361 -0.094 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1Cc2ccc(F)cc21 863466493 UIFVIZOLORSWNO-JTQLQIEISA-N 300.311 -0.343 50 20 DBGD CC[C@@H](C)[C@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)OC 863865675 JKCKKIRDWMJXSQ-YGRLFVJLSA-N 323.154 -0.551 50 20 DBGD O=C(NC[C@H]1COC2(CCOCC2)O1)c1cccc(B(O)O)c1 863879057 ULXITROIFRLXRT-ZDUSSCGKSA-N 321.138 -0.982 50 20 DBGD CC[C@@H]1COCCN1CCNC(=O)c1ccc(B(O)O)cc1 874710510 QGJZWUJXOWGHKQ-CQSZACIVSA-N 306.171 -0.793 50 20 DBGD COC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cnn(C)c2)CC1 913242785 LZTMNQYCPCZGBB-QPEQYQDCSA-N 317.349 -0.356 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNC(=O)C2CCCC2)C1=O 914843313 JQXPWANCTMISKA-UHFFFAOYSA-N 310.354 -0.002 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NNc2cnnn2C)cc1 1261772863 MCNJPBDNJBPKAY-UHFFFAOYSA-N 324.366 -0.591 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC2CCCCC2)c(O)nc1=O 1317860359 FIXYJVAVBVVWJI-UHFFFAOYSA-N 309.326 -0.237 50 20 DBGD CC[C@@H](COC)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1319097334 DXTYPRNWLSWMHH-VIFPVBQESA-N 309.326 -0.225 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 1320357762 HDRXJPZLPHPLBO-UHFFFAOYSA-N 322.325 -0.758 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1324348647 NJKSSDOGYUCVTB-VHSXEESVSA-N 305.400 -0.607 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CCC(=O)[C@H]1C 1326880205 XGGPAHNAZYZGBS-XHNCKOQMSA-N 319.383 -0.923 50 20 DBGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329077474 FCFIOKHFEYVNCW-PRHODGIISA-N 321.381 -0.358 50 20 DBGD COC[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)OC 1330688879 HBRUPKXJWJFURK-QMMMGPOBSA-N 300.290 -0.174 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N[C@H]2CCNC2)C[C@H]1Br 1334720103 BNLGIVUZHSGVRK-RNSXUZJQSA-N 304.188 -0.246 50 20 DBGD COCCOCC(=O)NNC(=O)Cn1c(C)c(C)sc1=O 1348741520 MSJXNQFBCQYLAK-UHFFFAOYSA-N 317.367 -0.663 50 20 DBGD Cc1cc(CC(=O)NNC(=O)C2=C3CCN=C3NC=C2)n[nH]1 1579589937 SDKLDJPANUDJMI-UHFFFAOYSA-N 300.322 -0.376 50 20 DBGD O=C(CCN1CCNCC1)NNC(=O)c1cccc(Cl)n1 1580533603 GRSMPLKUPUVCRI-UHFFFAOYSA-N 311.773 -0.209 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1NCC12CCOCC2 1580736529 WGDVCSDGWYRTHE-NSHDSACASA-N 305.338 -0.575 50 20 DBGD CC[C@@H](C)[C@H](NC(=O)COc1ccc(B(O)O)cc1)C(=O)O 1594901819 JUNLFGQXSJZZLW-RNCFNFMXSA-N 309.127 -0.639 50 20 DBGD Cn1nnc(CNC(=O)NNc2ccc(CC(=O)O)cc2)n1 1601040881 UAYOIIJYSCYMIQ-UHFFFAOYSA-N 305.298 -0.337 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)OCCc2ccccc21 1604577012 DSZQEOBVNUMUFM-CQSZACIVSA-N 307.306 -0.111 50 20 DBGD CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792976572 XTRWVKPZEHYHFJ-WYFGTUCQSA-N 304.774 -0.414 50 20 DBGD CC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1845168559 MKXZNASKVRLKJN-VIFPVBQESA-N 316.789 -0.125 50 20 DBGD CN(C)C(=O)CNC(=O)NNC(=O)COc1ccccc1F 43715369 PWYZNUKAQJAVLK-UHFFFAOYSA-N 312.301 -0.377 50 20 DBGD O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)NC1CC1 64429116 YWUDJHQJRHBUOR-UHFFFAOYSA-N 320.305 -0.362 50 20 DBGD O=C(CN1CCC[C@H](CN2CCOCC2)C1)NNC(=O)C1CC1 112982050 QKOGWCVTMVKLTH-CYBMUJFWSA-N 324.425 -0.412 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cn(Cc2cccc(F)c2)nn1 133052497 FTYUNCLKWHYWJC-UHFFFAOYSA-N 320.328 -0.212 50 20 DBGD COc1ccnc(NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)n1 272544647 YGSMYMCLLKSLOA-XVKPBYJWSA-N 309.326 -0.796 50 20 DBGD CC[C@](C)(C#N)C(=O)NNC(=O)CNC(=O)c1cccnc1 288451058 PPKZOKIPCAMCSP-CQSZACIVSA-N 303.322 -0.101 50 20 DBGD COC(=O)NNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 298291005 DPKMRUYVTYNKBU-SDBXPKJASA-N 312.326 -0.126 50 20 DBGD CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(B(O)O)cc2)C1 584974270 FYXKATHQJZELNM-GFCCVEGCSA-N 311.168 -0.984 50 20 DBGD CC1(C)CN(C(=O)c2cc(B(O)O)ccc2F)C[C@H](CO)O1 585001209 SSHORLZUJVTHBM-SNVBAGLBSA-N 311.118 -0.883 50 20 DBGD CC(C)[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)N1CCCC1 585004098 XVTJZMICJQGTNQ-AWEZNQCLSA-N 318.182 -0.257 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@H]2C1 585010436 QQFDXVXRANHECS-ZDEQEGDKSA-N 305.114 -0.530 50 20 DBGD CNC(=O)C1(c2nc(-c3cccc(B(O)O)c3)no2)CCC1 585053071 GOFMOSKDQXWQQX-UHFFFAOYSA-N 301.111 -0.416 50 20 DBGD O=C(NCB(O)O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 585063074 RQODPDMISAVBSB-WOPDTQHZSA-N 304.159 -0.258 50 20 DBGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)C2CC2)c1 727355843 YXXMRPKAWAISLA-UHFFFAOYSA-N 318.376 -0.183 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 729971980 QRPZFNQERWIGDJ-UHFFFAOYSA-N 324.362 -0.849 50 20 DBGD O=C(CCN1CCCC1=O)NNC(=O)COc1ccccc1O 730782455 OPPCFFFKEQCEIO-UHFFFAOYSA-N 321.333 -0.069 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)O 738136886 VBBWFRSFSWVUKH-DTWKUNHWSA-N 308.290 -0.058 50 20 DBGD O=C(CN1CCCN(C[C@H]2CCCO2)CC1)NNC(=O)C1CC1 738318210 QETQDEYBQJVRMX-CQSZACIVSA-N 324.425 -0.270 50 20 DBGD CCN1CCC(NC(=O)NNC(=O)[C@@H](C)OCCOC)CC1 748616173 XTEQXHNTAOSXKF-LLVKDONJSA-N 316.402 -0.147 50 20 DBGD O=C(NCC1CC1)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 749357460 SBGNLJRYZWWYTF-SECBINFHSA-N 306.326 -0.497 50 20 DBGD CO[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1(C)C 753551191 NXSMIOYNYAKHJT-NXEZZACHSA-N 312.370 -0.247 50 20 DBGD CS(=O)(=O)N1CC(CNC(=O)NNc2ccc(F)cn2)C1 777738001 KMQVFLXNXVTPCN-UHFFFAOYSA-N 317.346 -0.262 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@H](C(=O)N2CCCC2)C1 805807491 IJSAACFKZUIYSB-NEPJUHHUSA-N 310.398 -0.123 50 20 DBGD C[C@H](NC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)C(=O)NCCF 827275490 VEEQUVPMJWKFBC-YIZRAAEISA-N 304.322 -0.784 50 20 DBGD COC[C@](C)(CC(=O)O)NCC(=O)NNC(=O)C(C)(C)C 831572519 ASHJFJMPQMYKOF-ZDUSSCGKSA-N 303.359 -0.351 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCSc1nnnn1C 843648352 XGBPJJULJVDWLC-YUMQZZPRSA-N 314.371 -0.735 50 20 DBGD COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)CCl)C1 859304346 CFVLIKXCHXMDEA-HTQZYQBOSA-N 313.759 -0.061 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCCc2nc(N)sc21 863186479 ZAQHJENGPATUBJ-UHFFFAOYSA-N 302.381 -0.074 50 20 DBGD CC[C@@]1(C(=O)NN(C)C(=S)NCCCOC)CCNC1=O 864590869 QGWBXTJHNYGGDL-CYBMUJFWSA-N 316.427 -0.223 50 20 DBGD C[C@@H](O)CN(C)NC(=O)Cc1ccccc1S(C)(=O)=O 910159052 ZJMJRCYCFKFRLG-SNVBAGLBSA-N 300.380 -0.024 50 20 DBGD Cc1nn(C)c(C)c1C=NNC(=O)N[C@H]1CCS(=O)(=O)C1 920385228 WSBXMSDZNATUHN-JTQLQIEISA-N 313.383 -0.143 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](c1ccnn1C)C(C)C 1116749314 GXCIZRUNAVHJKV-VIFPVBQESA-N 311.342 -0.337 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccn2)cn1 1252886472 UDIGCUZPJOCVJH-UHFFFAOYSA-N 315.289 -0.115 50 20 DBGD CN1CCN(CCCCNC(=O)NNC(=O)c2ccc[nH]2)CC1 1318987277 ZDYINKIVTHXFNX-UHFFFAOYSA-N 322.413 -0.014 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@@H]2CCN(C3CC3)C2)cn1 1319172379 PDJOKONMODBEHS-JTQLQIEISA-N 306.370 -0.152 50 20 DBGD C#CCOCCN(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 1319554240 QMPDASAXDOFDMF-UHFFFAOYSA-N 314.345 -0.099 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccn(C(F)F)n1 1319813757 IDXLPAHRASMIDP-ZCFIWIBFSA-N 322.293 -0.526 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1cccnc1)CC2 1324146548 WSUNLWQJDSLIPZ-SECBINFHSA-N 300.322 -0.224 50 20 DBGD CCN1CCC[C@@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1328719949 ZEBXOZULQKSHPW-QWRGUYRKSA-N 311.386 -0.673 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(C(=O)OC)n1 1329658785 IMNGOFQRWRNAMR-UHFFFAOYSA-N 323.309 -0.501 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(S(=O)(=O)NC)o1 1330861273 DYZJTWYSMXDEAJ-UHFFFAOYSA-N 306.369 -0.731 50 20 DBGD Cc1nc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)sc1C 1331296962 LQTYNOSMSCFRGU-MRVPVSSYSA-N 311.367 -0.131 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1cccc(F)n1 1348879907 NSUHYMLSOKIAEI-GXSJLCMTSA-N 307.329 -0.630 50 20 DBGD CON=CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1579849014 UXGUDQGUUHERAG-UHFFFAOYSA-N 319.281 -0.975 50 20 DBGD NCC(=O)NNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 1580211098 WZDOIOINFSYRIZ-UHFFFAOYSA-N 320.136 -0.776 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)C(=O)O)OCCc2sccc21 1594020177 OWBKEXKYCLJCRU-GFCCVEGCSA-N 313.335 -0.049 50 20 DBGD CNC(=O)NNC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C 1598650952 RWPVWTVHYDVPAL-SSDOTTSWSA-N 318.330 -0.295 50 20 DBGD COC(=O)NCCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1604951675 ZVSYCFIVWAVRIY-UHFFFAOYSA-N 306.286 -0.549 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(O)c(C(=O)O)c1 1606001903 GBSWVSGJAXIDDU-UHFFFAOYSA-N 303.296 -0.445 50 20 DBGD O=C(O)c1coc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1610867396 HVODWWMMBPCIGU-ZCFIWIBFSA-N 316.291 -0.827 50 20 DBGD Cc1cc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]c1C(=O)O 1776027737 BRSINGYUHHXUIW-MRVPVSSYSA-N 313.335 -0.094 50 20 DBGD CC(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792975876 BAWYXBZYTAYVBZ-USZNOCQGSA-N 318.801 -0.168 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C(N)=O)n(C)c1 48654690 WHDRXDWJVGGYCX-ZETCQYMHSA-N 302.356 -0.520 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(F)c1 264135842 NHTVTOADSFHWRF-SSDOTTSWSA-N 303.315 -0.476 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1ncccc1F 285979687 MUFMQKSCNGFIFQ-UHFFFAOYSA-N 320.346 -0.380 50 20 DBGD CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(B(O)O)c1 584939314 UMMXWWKOYZLXEM-LBPRGKRZSA-N 322.195 -0.640 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@@H](C)n1cncn1 584945031 VKHPDCTWAHTJQN-RKDXNWHRSA-N 306.106 -0.524 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CN2CCCC2)C1 584951323 PEVZOBRPRFHRIK-CYBMUJFWSA-N 302.183 -0.076 50 20 DBGD CN(C)[C@]1(CNC(=O)c2cccc(B(O)O)c2)CCSC1 584957562 QKJMXBLMIHZZSY-AWEZNQCLSA-N 308.212 -0.467 50 20 DBGD CN1CCC[C@]2(CCN(C(=O)c3cccc(B(O)O)c3)C2)C1=O 584976474 KRPZJGGJNUBPHM-MRXNPFEDSA-N 316.166 -0.549 50 20 DBGD C[C@H]1CN(CCCNC(=O)c2cccc(B(O)O)c2)CCCO1 584981590 FCNIHPNEZIXCQW-ZDUSSCGKSA-N 320.198 -0.403 50 20 DBGD CCOC(Cn1cc(C(=O)NNC(=O)C2CC2)nn1)OCC 748547244 SRSSJTAIBYFIAW-UHFFFAOYSA-N 311.342 -0.152 50 20 DBGD CCN(CC)C(=O)CNC(=O)NNC(=O)[C@H](C)OCCOC 748623975 GOJBRKGJRYHQIO-JTQLQIEISA-N 318.374 -0.763 50 20 DBGD CO[C@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)C[C@H]1OC 753806844 DKKHDRMHVOLZGR-UTUOFQBUSA-N 301.387 -0.086 50 20 DBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCSC1 764072752 XXGRUZWRSFCWTC-SNVBAGLBSA-N 314.411 -0.807 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(-c2nccs2)cc1 764422703 YCMQRTVRBHKRIZ-UHFFFAOYSA-N 320.330 -0.112 50 20 DBGD C#CCN1CCC[C@H]1C(=O)NNC(=S)NCCSC 770245116 AJLWVANWYKAKMN-JTQLQIEISA-N 300.453 -0.058 50 20 DBGD CC1(C)OC[C@@H](CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)O1 783274566 GTHNZVTVILSZFT-SKDRFNHKSA-N 321.399 -0.481 50 20 DBGD O=C(CC1OCCO1)NNC(=O)c1ccc2c(c1)OCCO2 788628275 XQUFKOYGVGNBSZ-UHFFFAOYSA-N 308.290 -0.018 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2coc(S(N)(=O)=O)c2)n1 794084510 FOQOREBVJABSGP-UHFFFAOYSA-N 324.318 -0.295 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)N1CCc2cc(F)ccc21 802567649 UCYLOAFAPOVEMO-UHFFFAOYSA-N 309.297 -0.101 50 20 DBGD O=C(CCNS(=O)(=O)c1ccccc1)NNc1nc[nH]n1 816631713 BPKUXONFGFZADC-UHFFFAOYSA-N 310.339 -0.384 50 20 DBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NN(C)C1CC1 819649170 ITCLKIOZWMWJBT-MRVPVSSYSA-N 301.372 -0.788 50 20 DBGD CCN(CCO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 823846949 PJMBJQBHYRHLMQ-NSHDSACASA-N 319.365 -0.330 50 20 DBGD O=C(CN1CCNCC1=O)NNc1nc(-c2ccncc2)no1 828217763 MQYAYGKVFDSUIK-UHFFFAOYSA-N 317.309 -0.994 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2sccn2c1=O 843641979 HZOSMOANMCZEJJ-JGVFFNPUSA-N 322.346 -0.058 50 20 DBGD CC(=O)NCC(C)(C)C(=O)NNC(=O)CNC(=O)c1ccco1 844364649 UUJODRRUNOFHMR-UHFFFAOYSA-N 324.337 -0.681 50 20 DBGD CN(CC(=O)NNC(=O)c1cccs1)Cc1cn(C)nn1 852553485 SRJJWLGDERHZGU-UHFFFAOYSA-N 308.367 -0.230 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCOc3ccccc3C2)N1 858693998 DKEUXOLOBIUJGQ-LLVKDONJSA-N 318.333 -0.100 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CC[C@H](N3CCCCC3)C2)N1 858696556 JSECJELEWRGJNB-NWDGAFQWSA-N 323.397 -0.434 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN(C[C@H]2CCCO2)CC1 864536379 BXCZGUGDUKTCLF-OAHLLOKOSA-N 318.182 -0.697 50 20 DBGD O=C1[C@@H](NCc2ccccc2B(O)O)CCN1C1CCOCC1 877078007 YWPFTWJLOOQNNG-HNNXBMFYSA-N 318.182 -0.764 50 20 DBGD CSSCCNS(=O)(=O)CCS(=O)(=O)N(C)C 882169287 PRPKAYMTRQANRF-UHFFFAOYSA-N 322.499 -0.192 50 20 DBGD CC(C)N1CCN(CCC(=O)NNC(=O)c2cnn(C)c2)CC1 900745210 IRNAJKVFXYGMFT-UHFFFAOYSA-N 322.413 -0.403 50 20 DBGD COc1cccc(OCC(=O)NNC(=O)CN2CCCC2=O)c1 920432523 BFJXZJXTJYWZRE-UHFFFAOYSA-N 321.333 -0.156 50 20 DBGD Cn1cc(C(=O)NNc2ncncc2Cl)c(=O)n(C)c1=O 1116691355 GPNAJNSFEBNOLX-UHFFFAOYSA-N 310.701 -0.716 50 20 DBGD CCC(=O)N1CCC[C@H](C(=O)NNc2nccn(C)c2=O)C1 1252518075 DIZXCBBNFJZVJD-JTQLQIEISA-N 307.354 -0.128 50 20 DBGD CCN1C[C@@H](NC(=O)NNc2nncc(N)c2Cl)CC1=O 1324651652 PEHXCMHNISAUFN-LURJTMIESA-N 313.749 -0.041 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(Br)cn1 1324741133 INYPWQPQFVLJQU-UHFFFAOYSA-N 301.100 -0.050 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H](CN)C2CCCC2)ccc1=O 1579953225 ORAFRFGWWFZJHT-GFCCVEGCSA-N 321.381 -0.153 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cn1)NNc1ccncn1 1582114629 ZEYOBPMUHZRSIK-UHFFFAOYSA-N 312.297 -0.393 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cnsn2)CO1 1595007092 YJRFWJWVODKIAZ-NKWVEPMBSA-N 314.323 -0.431 50 20 DBGD COC(=O)CN(CC(=O)O)C(=O)/C(C#N)=C\c1cnn(C)c1 1606464245 SSYBTHHYKXIEDF-KMKOMSMNSA-N 306.278 -0.587 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNc1nc[nH]n1 1606557096 ZGNUXWGJKYPTDO-UHFFFAOYSA-N 300.286 -0.460 50 20 DBGD C[C@@]1(C(=O)O)CN(S(=O)(=O)CBr)CCO1 1776507661 CFYGZZBJCAOYNE-ZETCQYMHSA-N 302.146 -0.156 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)CN2CCN(C)CC2)cc1 109939001 DSNRUCSCCRROFS-UHFFFAOYSA-N 319.409 -0.198 50 20 DBGD O=C(CN1CCN(Cc2ccccn2)CC1)NNC(=O)C1CC1 112976176 YJSKMLAWLHTRQW-UHFFFAOYSA-N 317.393 -0.243 50 20 DBGD CCCNC(=O)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 112976416 PSRKQFYFNBNFOE-UHFFFAOYSA-N 310.398 -0.218 50 20 DBGD O=C(CN1CCOCC1)NNC(=O)[C@@H]1COc2ccccc2O1 267871431 LREVKVMKZARTTA-ZDUSSCGKSA-N 321.333 -0.694 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)CSc1ccccc1O 271001165 FWSWCHIUWXIIQK-UHFFFAOYSA-N 312.351 -0.439 50 20 DBGD COc1cc(F)cc(CNC(=O)NNC(=O)C(=O)NC2CC2)c1 271295799 SEFZWYMHUQCIJR-UHFFFAOYSA-N 324.312 -0.057 50 20 DBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC 274929827 CVLUOYMTRAGNRE-SSDOTTSWSA-N 318.330 -0.597 50 20 DBGD CCN(CC)c1ccnc(NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)n1 288551788 WJIQLSJNSUBYGS-UWVGGRQHSA-N 322.369 -0.201 50 20 DBGD COc1ncc(C)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCCO1 293466653 TVDWWWLXVHBVPC-JTQLQIEISA-N 322.321 -0.336 50 20 DBGD CC(C)CN1N=C(C(=O)NNC(=O)Cc2cc[nH]n2)CCC1=O 364179184 VGEHPPFMYYXVER-UHFFFAOYSA-N 320.353 -0.266 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1=O 365840813 NIUNLSVWSSCUQY-NSHDSACASA-N 304.281 0.366 50 20 DBGD O=C(CN1CCN2C(=O)OC[C@H]2C1)NNC(=O)c1ccccc1 372802533 NAASCBGJUXWSDJ-GFCCVEGCSA-N 318.333 -0.416 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@](O)(C(F)(F)F)C1 584948614 DQOCGXYIOHGVRT-LLVKDONJSA-N 321.035 -0.355 50 20 DBGD Cn1ccnc1[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584966743 KCHFQXNIYIDRMG-JTQLQIEISA-N 317.129 -0.131 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN[C@@H](c2ccncc2)C1 584986958 PGIFNOOLQJCIMC-OAHLLOKOSA-N 311.150 -0.452 50 20 DBGD O=C(N[C@H](C1CC1)[C@@H](CO)C1CC1)c1cccc(B(O)O)c1 584997866 MIDIGNOIPFJQBZ-LSDHHAIUSA-N 303.167 -0.107 50 20 DBGD CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)cc2)C1 585027587 BRHPYMXVKJIZRN-ZIAGYGMSSA-N 311.212 -0.188 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 764203971 NFWOCMUHIJGJEG-UHFFFAOYSA-N 309.282 -0.758 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1scnc1CC 764325555 OLPVOQBSUJTYKW-UHFFFAOYSA-N 300.340 -0.172 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(C)(C)S(=O)(=O)CC1 773970221 UMDWJWGQUYJOPB-JTQLQIEISA-N 319.427 -0.169 50 20 DBGD COCCCOCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 776190261 QGJJOOVKZRDVLX-NSHDSACASA-N 308.400 -0.468 50 20 DBGD COC1(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CCC1 780859560 GGNYSPBSVFXNIH-NSHDSACASA-N 305.400 -0.064 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 783999831 KXHCRYCTKKCAFV-UHFFFAOYSA-N 318.333 -0.297 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(=O)c(OC)co1 798672808 BFRQSOITCJLVRW-ZETCQYMHSA-N 312.278 -0.249 50 20 DBGD CN1CCN(C(=O)NNC(=O)C2(C)COC(C)(C)OC2)CC1 807382569 KXOLJYDXATUYLA-UHFFFAOYSA-N 314.386 -0.236 50 20 DBGD NS(=O)(=O)CCOCCNS(=O)(=O)CCCCCl 809381670 FPHNKLKVXSYSFY-UHFFFAOYSA-N 322.836 -0.770 50 20 DBGD Cn1ccnc(NNC(=O)CNc2ccccc2C(N)=O)c1=O 809706257 RVGVTMLBXXAOIQ-UHFFFAOYSA-N 316.321 -0.566 50 20 DBGD O=C(Cc1ccc(Cl)cc1)NN=C1C(=O)NC(=O)NC1=O 814215389 PEWQCIBTABOQDH-UHFFFAOYSA-N 308.681 -0.279 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1cccc(C(=O)O)c1)C(N)=O 833397679 HJEOROLNRRWZGJ-JTQLQIEISA-N 308.294 -0.792 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CS(=O)(=O)C1CCCC1 843643840 JETJEFVKUQHQQB-MWLCHTKSSA-N 318.395 -0.084 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N2)cc1C 854261026 RZKMCOOUTMZOKR-SNVBAGLBSA-N 304.306 -0.722 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)c2cc[nH]n2)n1N 855356536 TUOJROBEGRMXLR-UHFFFAOYSA-N 324.370 -0.779 50 20 DBGD C[C@@H]1C[C@@H](CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858358797 SBBUAUVDWGRTTF-VWYCJHECSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NC[C@H](O)c2ccccc2F)N1 858694380 NFOWTJVKMUEXMH-QWRGUYRKSA-N 324.312 -0.532 50 20 DBGD O=C(O)COc1ccccc1C=NNC(=O)[C@H]1CCC(=O)N1 863146931 XYZQESHOVFYCPQ-SNVBAGLBSA-N 305.290 -0.121 50 20 DBGD C#CCCN1CCC(NC(=O)c2cccc(B(O)O)c2)CC1 863873984 MHVPPXCYTGBRIN-UHFFFAOYSA-N 300.167 -0.416 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)C1CCOCC1 883457818 OITUIZSBXMQROX-UHFFFAOYSA-N 316.402 -0.288 50 20 DBGD CC(=NNC(=O)C(N)=O)c1cccc(OCC(=O)N(C)C)c1 920482651 PEEMIVSMZOVZLY-UHFFFAOYSA-N 306.322 -0.521 50 20 DBGD O=C(/C=C/c1cccnc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1115887162 ZWTHLRVMVAGJPK-PGLGOXFNSA-N 324.362 -0.388 50 20 DBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)Cc2cccnc2)S1 1116143520 WIMSZUGGMBARMH-QMMMGPOBSA-N 307.335 -0.672 50 20 DBGD CN1CCCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 1123663028 CEGWQSBMCGPEGX-NSHDSACASA-N 311.386 -0.577 50 20 DBGD CCNC(=O)NNC(=O)c1nnn(Cc2cc(C)no2)c1C 1261233799 IBNWZRGZJOVGQI-UHFFFAOYSA-N 307.314 -0.105 50 20 DBGD CCCN1CCCC[C@H]1C(=O)NNC(=O)CS(C)(=O)=O 1261835456 WEZCTMKKOFDQQR-JTQLQIEISA-N 305.400 -0.557 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)NC1(C(N)=O)CCOCC1 1327897789 NNTWFKRSSPFVKM-SNVBAGLBSA-N 314.386 -0.808 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCC1(O)CCOCC1 1329254898 VVMUHSDALGYWCU-MNOVXSKESA-N 315.370 -0.327 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccc2c1OCCCO2 1333846803 LAFQLKHIMJSTEF-UHFFFAOYSA-N 323.305 -0.149 50 20 DBGD CN[C@@H](C(=O)NNc1nc(C)cc(OC)n1)c1cnn(C)c1 1346029862 UHNHVUPSDRSFHQ-LLVKDONJSA-N 305.342 -0.069 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1ccc(Cl)nc1 1346283618 KGXDIWMJWMZWNV-MWLCHTKSSA-N 323.784 -0.116 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(=O)O 1589057067 XBBYROYXNYRYAP-LDYMZIIASA-N 323.305 -0.123 50 20 DBGD CCN(CCO)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 1590714289 AJIDMRCKSXDJJR-SNVBAGLBSA-N 320.353 -0.021 50 20 DBGD Cn1c(C(=O)NNC(=O)c2ccc[nH]2)ccc1-c1nn[nH]n1 1592549883 OSWYRIYMCQUWRJ-UHFFFAOYSA-N 300.282 -0.392 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ccc(C(=O)O)cc2F)C1=O 1598550841 BLTAVGVWLGXWOE-UHFFFAOYSA-N 324.268 -0.139 50 20 DBGD COc1cccc(N2CC[C@@H](NC(=O)NNC(=O)C(=O)O)C2)c1 1599679538 WIHOPNWKMWGWCK-SECBINFHSA-N 322.321 -0.311 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 1602624827 LUPHMZQDMSVGBZ-DOMZBBRYSA-N 321.113 -0.025 50 20 DBGD Cc1nnc(NNC(=O)c2cnccc2-c2nn[nH]n2)n1C 1606124135 IJXXLQYYRONIPQ-UHFFFAOYSA-N 300.286 -0.544 50 20 DBGD C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800979343 ANSSWHDCZORVFO-NOHGZBONSA-N 314.769 -0.537 50 20 DBGD O=C(c1ncon1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841352000 PUWQWIYPTKUBHZ-QMMMGPOBSA-N 314.729 -0.514 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCCO2)c2ccccc2c1=O 44566375 YZYUEUSFYUMTCI-LLVKDONJSA-N 316.317 -0.127 50 20 DBGD CCNC(=O)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 139216040 ZKPSCZXBNQNENV-UHFFFAOYSA-N 319.321 -0.298 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)cc1 265861548 XJOUJPVXHHPVPV-GFCCVEGCSA-N 320.349 -0.065 50 20 DBGD CN(NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C(N)=O 277254184 FETOBGQWMSWGLZ-JGVFFNPUSA-N 302.331 -0.602 50 20 DBGD COCCN(C)NC(=O)c1ccc(OC)c(-n2cnnn2)c1 288298863 BQHZGVQXXKSSRA-UHFFFAOYSA-N 306.326 -0.106 50 20 DBGD CC(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 496926934 MMWDGUGIYNIOCU-UHFFFAOYSA-N 314.342 -0.767 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@@](O)(C(F)(F)F)C1 584956986 KFVMTHIMLXWTGG-LBPRGKRZSA-N 317.072 -0.104 50 20 DBGD COCCCOC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584957798 QZZXCIBBBSJUEN-UHFFFAOYSA-N 311.118 -0.617 50 20 DBGD CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(B(O)O)ccc1F 584973841 KGFOGFDXWOGYKZ-JTQLQIEISA-N 323.051 -0.109 50 20 DBGD CCN(CC)CCOCCNC(=O)c1ccc(B(O)O)cc1 584977285 VZPJYWZVYNXFEV-UHFFFAOYSA-N 308.187 -0.545 50 20 DBGD NC(=O)[C@H]1CCCCN1CC(=O)NNC(=O)c1cccs1 727239015 UZVVEMLNDFYEIZ-SECBINFHSA-N 310.379 -0.151 50 20 DBGD COc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)c(O)c1 728434774 PRGKRVQOCONBMM-QMMMGPOBSA-N 315.351 -0.211 50 20 DBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)NC 731472841 LVNQWNDLGUKENK-JTQLQIEISA-N 318.341 -0.765 50 20 DBGD CC[C@H](CO)NCC(=O)NNC(=O)Cc1nc(C)cs1 737389090 YZOJTXHDFWTVGR-SECBINFHSA-N 300.384 -0.498 50 20 DBGD O=C(NNS(=O)(=O)C1CC1)c1cccc(-c2nn[nH]n2)c1 738134788 TYFGRZAORUSAHB-UHFFFAOYSA-N 308.323 -0.407 50 20 DBGD Cc1nc(C(=O)NNC(=O)C(=O)NC(C)C)c2ccccn12 741207300 DVWDYOUKKAKTEF-UHFFFAOYSA-N 303.322 -0.072 50 20 DBGD CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 741426252 QOQNUOWKTQQVIN-AEJSXWLSSA-N 310.354 -0.591 50 20 DBGD NC(=O)N1CCC(=NNC(=O)CNC(=O)c2cccnc2)CC1 763205264 WSGYKSICWAJVKZ-UHFFFAOYSA-N 318.337 -0.542 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1nc2ccccc2[nH]1 768500944 AWSFZKYSDGGQAL-UHFFFAOYSA-N 304.310 -0.742 50 20 DBGD CO[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)C(C)C 771738143 JYQZJMQLIUVAKZ-LBPRGKRZSA-N 308.338 -0.370 50 20 DBGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)NC)c1 795304327 UCEFLSWRTIJMGR-UHFFFAOYSA-N 315.351 -0.086 50 20 DBGD COc1nccnc1NNC(=O)CCN1C(=O)CCNC1=S 816971196 WEPCAVNSUQJBTI-UHFFFAOYSA-N 324.366 -0.575 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1ncncc1F 817083888 WXMRHZDQILYDQJ-UHFFFAOYSA-N 321.334 -0.985 50 20 DBGD C[C@H](C(=O)NNC(=O)C(C)(C)O)N1C(=O)c2ccccc2C1=O 840435074 XTNPJKVXXSPDLC-MRVPVSSYSA-N 319.317 -0.411 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2nnc(C(F)F)s2)N1 860520139 QYBJPOBMKWZYJK-VKHMYHEASA-N 320.281 -0.093 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2csc(NC3CC3)n2)N1 862461047 KYWUDCBDFMMEPC-ZETCQYMHSA-N 309.351 -0.243 50 20 DBGD CN(C/C=C/C(=O)NNC(=O)[C@@H]1CCC(=O)N1)CC(F)(F)F 862462306 PJHUVPIJJKEDRQ-SGJFDWMWSA-N 322.287 -0.537 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2ncccn2)C1 884421394 SWOODGUAONYOKI-LLVKDONJSA-N 302.338 -0.482 50 20 DBGD C[C@H](O)CN(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 910170823 OODNBDPHOPVGCL-NSHDSACASA-N 315.395 -0.349 50 20 DBGD CC(C)C(=O)NNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 920238453 CYXTZCPDRHCMEA-SECBINFHSA-N 306.388 -0.603 50 20 DBGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(C)=O)CC1 920430492 WUSJZCHGHGFKLP-UHFFFAOYSA-N 305.400 -0.004 50 20 DBGD Cc1nc2ncnn2c(C)c1CCC(=O)NNc1cnnn1C 1117762193 OJACEXNCRKJXQP-UHFFFAOYSA-N 315.341 -0.054 50 20 DBGD CN(C)[C@@]1(CNC(=O)NNC(=O)c2cccnn2)CCSC1 1119347185 KHEJTYMEGPQVNP-CYBMUJFWSA-N 324.410 -0.142 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)n1C 1317977092 AEGIAZCLTMEFSX-VIFPVBQESA-N 314.367 -0.535 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCC[C@H]1CCO 1321527734 ORNBNTZEPCKVPM-QWRGUYRKSA-N 312.370 -0.510 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1ccncc1)CC2 1323867054 XKADTUOPGRETRY-SNVBAGLBSA-N 300.322 -0.224 50 20 DBGD C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)[C@H]1CCOC1 1326983309 KZDVTDAEFHCFDX-JBLDHEPKSA-N 305.400 -0.208 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H]1CCCS(=O)(=O)C1 1329251345 AADYFUOOSYEJAQ-LPEHRKFASA-N 319.383 -0.681 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNc1nc(O)c2cnn(C)c2n1 1329629152 WTQHKPPGKLJIBC-QMMMGPOBSA-N 307.314 -0.717 50 20 DBGD CC(C[C@@H]1CCC(=O)N1)=NNC(=O)Cc1cc(O)nc(O)n1 1330028604 IEWKUHNBKMKMDY-QMMMGPOBSA-N 307.310 -0.409 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C(F)(F)c1nccs1 1331835288 YUTCOIOIHMDWJG-UHFFFAOYSA-N 313.307 -0.573 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CNS(=O)(=O)c1ccccc1 1348953530 GIVKHBRKAPTKKU-JTQLQIEISA-N 301.368 -0.691 50 20 DBGD C[C@]1(C(=O)NNC(=O)Cn2ccc3ccccc32)C[C@@H](O)CN1 1576350960 UVSLHXDQERDPRP-MLGOLLRUSA-N 316.361 -0.098 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1590335971 GXMWYDPEKDMDMJ-HTRCEHHLSA-N 305.298 -0.619 50 20 DBGD C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NNC(=O)C(=O)O)O2)CO1 1594287972 ZJRNKLMFABDBEA-RWYTXXIDSA-N 301.299 -0.872 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C(=O)O)n(C)n1 1594645446 RUWGXHQHNGTEOQ-NKWVEPMBSA-N 311.298 -0.304 50 20 DBGD CCc1cccc2c1N(C(=O)C(=O)NNC(=O)C(=O)O)CC2 1597603071 AYPJFSIBRYDHGE-UHFFFAOYSA-N 305.290 -0.630 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 1601330500 XGIJNGMWRGIAMH-UHFFFAOYSA-N 315.669 -0.884 50 20 DBGD CC(C)(C)[C@H](C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccccn1 1602852291 JZSFCTCKTSIZJY-VIFPVBQESA-N 322.321 -0.086 50 20 DBGD CC(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841418645 LYSITOFZHKLPDM-WDEREUQCSA-N 318.801 -0.194 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CSCC2=O)cc1 61473796 IINJPOVZCKNEIS-UHFFFAOYSA-N 304.331 -0.148 50 20 DBGD CN1CCN(CC(=O)NNC(=O)Cc2ccccc2F)CC1 111618641 YOEAYXOUBBSZCI-UHFFFAOYSA-N 308.357 -0.237 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1nnc2ccccn12 273298414 ATTIVLNPKDIJOC-VIFPVBQESA-N 322.325 -0.067 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)[nH]n1 276006728 PMDCASZCUBWMIM-CMPLNLGQSA-N 318.337 -0.010 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)C(=O)NC1CC1 276709840 XPTBAVZNKGTKLX-NSHDSACASA-N 317.305 -0.999 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)n1 279744560 BIPCVUVHSDOCLT-JOYOIKCWSA-N 320.349 -0.573 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2COCCN2C2CCCC2)c1=O 289038448 BEOYNSYSEACESF-LBPRGKRZSA-N 321.381 -0.133 50 20 DBGD CCc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 299230288 RPBWDTVURHTLOJ-VIFPVBQESA-N 313.379 -0.052 50 20 DBGD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 584947432 PRWDSUQGGKXHFH-OCCSQVGLSA-N 318.182 -0.257 50 20 DBGD CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)[C@H](O)C(F)(F)F 584968926 PQYHTDCXCMTIPV-UWVGGRQHSA-N 323.051 -0.063 50 20 DBGD CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(B(O)O)cc1 584979131 LLWLUPQGGRKXSB-ZDUSSCGKSA-N 304.155 -0.647 50 20 DBGD C[C@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H](C)S1(=O)=O 584991224 WKPFAPPNYYYDTH-UWVGGRQHSA-N 311.168 -0.986 50 20 DBGD CC[C@@H](NCc1ccc(B(O)O)cc1)C(=O)N1CCOCC1 585027149 XUFKKKFQCUUMEE-CQSZACIVSA-N 306.171 -0.907 50 20 DBGD Cn1nccc1N1CCC[C@H](NCc2ccccc2B(O)O)C1 585038481 GMRMFCIETROTSV-AWEZNQCLSA-N 314.198 -0.142 50 20 DBGD CC1CCN(C[C@H](C)C(=O)NNC(=S)NCC(N)=O)CC1 727066933 RYKQUDABPRQPCE-JTQLQIEISA-N 315.443 -0.665 50 20 DBGD Cn1nc(C(=O)NNC(=O)C2=COCC2)c2ccccc2c1=O 728150676 ANWKBBDJTPUBPO-UHFFFAOYSA-N 314.301 -0.001 50 20 DBGD COc1cc(C#N)ccc1OCC(=O)NNC(=O)c1cnn[nH]1 729456591 USOOGIJTCXMVSS-UHFFFAOYSA-N 316.277 -0.475 50 20 DBGD COc1cc(C)nc(NNC(=O)[C@@H](C)N2C(=O)CCC2=O)n1 746623919 PFQYGOKQJAEKSL-MRVPVSSYSA-N 307.310 -0.226 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2O)o1 746847638 TYPYAYKXXYKVOS-UHFFFAOYSA-N 319.273 -0.076 50 20 DBGD O=C(Cc1n[nH]c2ccccc12)NNC(=O)C(=O)NC1CC1 747703994 SZWVGWCMPILXBP-UHFFFAOYSA-N 301.306 -0.469 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)C(N)=O 747986285 OHGMVHOTAFTCDB-JTQLQIEISA-N 309.282 -0.582 50 20 DBGD CS(=O)(=O)CCCC(=O)NNc1cc(Cl)nc(N)n1 753465067 XRYYFAGSCKWSLN-UHFFFAOYSA-N 307.763 -0.020 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCC[C@@H](S(C)(=O)=O)C1 770000354 CAFZAYAPHRYBHH-GHMZBOCLSA-N 319.427 -0.169 50 20 DBGD COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)NNC(=O)C1CC1 778238837 QFYURNHDUHDECE-QWRGUYRKSA-N 313.354 -0.804 50 20 DBGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NN(C)C(N)=O 778412221 LYPHMIKQVPXVEG-SSDOTTSWSA-N 313.318 -0.131 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)C(C)(C)c2ccccc2)c1=O 778722299 RZYDHLZBIKJOKX-UHFFFAOYSA-N 317.349 -0.293 50 20 DBGD COC(=O)c1cnc(C(=O)NNC(=O)c2ccncc2)cn1 779640854 ITWJUSNEUSTIET-UHFFFAOYSA-N 301.262 -0.267 50 20 DBGD COc1cc(C)nc(NNC(=O)CN2CCN(C)C(=O)C2)n1 780844281 XNGYROPREYPFJS-UHFFFAOYSA-N 308.342 -0.989 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ncccc1F 804216166 BHRWUZLOTMOSPQ-UHFFFAOYSA-N 302.331 -0.606 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1csc(-c2ccccc2)n1 806980244 MNWVZNJQPKOYOF-UHFFFAOYSA-N 320.330 -0.112 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CC[C@@H](CC(N)=O)C2)cc1 808774813 CANXOICRIMQVQF-LBPRGKRZSA-N 318.377 -0.047 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](C)S1(=O)=O 810112511 WPFOGCGSFUHEND-UWVGGRQHSA-N 319.427 -0.313 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ncc(Cl)cc1C 812979944 ICWJZYQHLMVUDI-UHFFFAOYSA-N 300.702 -0.224 50 20 DBGD O=C1NC(=O)C(=NNC(=O)c2cccc3cccnc23)C(=O)N1 814219335 LUNPQRHSDFGJQS-UHFFFAOYSA-N 311.257 -0.313 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccc[nH]1 822645895 VJBKBFABKFESHA-UHFFFAOYSA-N 300.282 -0.392 50 20 DBGD COCCOCC(=O)NNC(=O)[C@](C)(O)c1ccc(F)cc1 827869766 KODPXXGKUWKFNE-CQSZACIVSA-N 314.313 -0.156 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=C1CCN(C(=O)O)CC1 831553527 ZJVNPBVJSIYERX-UHFFFAOYSA-N 309.282 -0.324 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)nc1 845889492 VEKKNMZVJIZUOQ-QMMMGPOBSA-N 314.323 -0.997 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)OC)c1OC 845918984 QYXIFETYBDWHRF-UHFFFAOYSA-N 323.305 -0.022 50 20 DBGD CN(C)CC(=O)NNC(=O)CC1(Cn2cnnn2)CCCCC1 846633416 MUMRMJHNUJCVLB-UHFFFAOYSA-N 323.401 -0.277 50 20 DBGD C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 857870352 FFVCFNGZDREOQE-FKTZTGRPSA-N 305.338 -0.498 50 20 DBGD CC1(C)C[C@H](NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C(C)(C)O1 858349846 APSLUYWFKQFGSR-IUCAKERBSA-N 312.370 -0.059 50 20 DBGD COC(=O)[C@@H](NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1F 863378345 BKTAUSBHCXKQNP-JQWIXIFHSA-N 309.297 -0.061 50 20 DBGD COC(=O)[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H]1C 863884865 ARMBCESSIDNACM-GXSJLCMTSA-N 323.129 -0.223 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 910183950 VXJOIMOZAMOMIX-JTQLQIEISA-N 315.395 -0.106 50 20 DBGD C[C@@H]1[C@@H](C)N(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)C(=O)N1C 912004117 RLANQCMGIIBATF-OPRDCNLKSA-N 322.145 -0.415 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1cccc(OCC#N)c1 1116187572 RFXSBMAWYYKZNE-UHFFFAOYSA-N 306.278 -0.408 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNc2nc3ccccn3n2)nn1 1116747146 GWFNQVZSXZCBCQ-MRVPVSSYSA-N 302.298 -0.483 50 20 DBGD Cc1nc([C@@H](C)NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)no1 1261104536 UPNSPHGWZLRKKT-HQJQHLMTSA-N 317.371 -0.180 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccccc1CC(=O)NC 1320378804 KIUWOVNWRHAVHP-UHFFFAOYSA-N 322.321 -0.309 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1c2ccccc2nn1C 1321333931 GWXPBLQSCOJMCC-UHFFFAOYSA-N 303.322 -0.141 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)CC[C@H]1NC(=O)NC1=O 1321718920 YMXQEEMORJXCFG-ZCFIWIBFSA-N 301.372 -0.732 50 20 DBGD Cc1cc(Cn2nnc(C(=O)NNC(=O)C(C)(C)O)c2C)on1 1324276332 XCHCDOOKJPYSKY-UHFFFAOYSA-N 322.325 -0.537 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NC[C@@H](O)c1cnn(C)c1 1326027280 PTJNYBDIOYMDAX-INTQDDNPSA-N 311.342 -0.791 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2ccn3ccnc3c2)N1 1348122688 KKKPMJIOPZASJM-SNVBAGLBSA-N 316.321 -0.557 50 20 DBGD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 1348490925 XDWNKJXZAUDVPZ-ZETCQYMHSA-N 301.089 -0.773 50 20 DBGD O=C(NNc1ncc(Cl)cn1)c1cnn(C[C@@H](O)CO)c1 1351277996 BZWGMNWCRAWSLU-SECBINFHSA-N 312.717 -0.563 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2[C@H]3CCNC[C@H]32)c1 1575029164 JRTIEBSUOVZJEA-YNEHKIRRSA-N 317.349 -0.344 50 20 DBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1ccc(-c2nn[nH]n2)cc1 1593157858 HSKDXVZURKQNIU-ZDUSSCGKSA-N 320.284 -0.244 50 20 DBGD O=C(Cn1cccc(C(=O)O)c1=O)NNC(=O)c1ccc[nH]1 1601388440 XJYSKOZGCCEGRQ-UHFFFAOYSA-N 304.262 -0.664 50 20 DBGD COCCCOCC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1605091577 CZJAFRMLBBHYHQ-UHFFFAOYSA-N 307.314 -0.242 50 20 DBGD O=C(O)c1cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cs1 1608858508 QKXZJPRCNMQSRH-ZCFIWIBFSA-N 305.142 -0.316 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(OCCC(=O)O)cc1 1609622401 VEFVTTYGZWHMEW-UHFFFAOYSA-N 302.308 -0.131 50 20 DBGD Cc1c(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cnn1C 160499461 WTIZVBVPZSAFDJ-PHIMTYICSA-N 323.397 -0.011 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2cccc([N+](=O)[O-])c2)c1=O 178840286 YXNPLBMHRLJOIM-UHFFFAOYSA-N 319.277 -0.402 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)C2CC2)c1 267164866 RJVLRQXVVNFWRD-UHFFFAOYSA-N 303.365 -0.173 50 20 DBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2nc3ccccn3n2)O1 276792559 CWWLYUVEJSYFEH-RKDXNWHRSA-N 319.325 -0.612 50 20 DBGD CCOCCn1cc(C(=O)Nc2cccc(B(O)O)c2)cn1 584912123 PGBJTAHXBUSSMJ-UHFFFAOYSA-N 303.127 -0.148 50 20 DBGD O=C(CNC(=O)c1ccc(B(O)O)c(F)c1)NC1CCCCC1 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C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC(C)(C)C 863873680 GZFYOIDWMHNRLH-MRVPVSSYSA-N 311.118 -0.035 50 20 DBGD CCO/C=C(\C#N)C(=O)NCCS(=O)(=O)N1CCCC1 888865426 RATSQAVIYXPJII-ZHACJKMWSA-N 301.368 -0.028 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CNC[C@@H]3C2)cc1 917199097 RWXFYTBVHSSIPO-ZIAGYGMSSA-N 302.378 -0.093 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNC(=O)CN2CCCC2=O)CC1=O 920435122 CPQHTEMLLBOHGQ-LLVKDONJSA-N 324.381 -0.739 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 1116238243 YRHYLHDOXAOERI-VHSXEESVSA-N 322.321 -0.723 50 20 DBGD Cc1oc(C(=O)NNC(=S)NC(C)C)cc1S(N)(=O)=O 1116248284 HDFARFMICFQFCM-UHFFFAOYSA-N 320.396 -0.247 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)N[C@@H]1CCS(=O)(=O)C1 1117699402 MYOWLWLFLPIMFH-BBBLOLIVSA-N 301.368 -0.450 50 20 DBGD COC1(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)CCOCC1 1118185545 GEFAFXWOXWVOQC-GHMZBOCLSA-N 315.370 -0.063 50 20 DBGD C[C@H](NC(=O)NNC(=O)C1CCOCC1)[C@H]1CN(C)CCO1 1119290576 WFGDWWFFUSVOTD-CMPLNLGQSA-N 314.386 -0.538 50 20 DBGD C[C@@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)NCC(F)(F)F 1123773283 GNTUVQRADVZLQA-SFYZADRCSA-N 309.292 -0.733 50 20 DBGD O=C(COC(=O)CO[C@@H]1CCOC1)NNC(=O)c1ccccc1 1252527434 WSEBLYXVVGUXKA-GFCCVEGCSA-N 322.317 -0.204 50 20 DBGD C[S@](=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 1318081605 JSMDTNUNYZGVSN-QFIPXVFZSA-N 323.374 -0.193 50 20 DBGD CC(C)n1cc(S(=O)(=O)NNC(=O)c2cnccn2)cn1 1318817093 WJVMEOQCNWOTRP-UHFFFAOYSA-N 310.339 -0.123 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)CCO)cc(OC)c1 1320237338 KOFSGMBRBQWVND-UHFFFAOYSA-N 311.294 -0.828 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 1320542385 BNNMVQGRWATRFX-UHFFFAOYSA-N 312.330 -0.840 50 20 DBGD CCOC(=O)c1nn(C)cc1C=NNC(=O)CN1CCCC1=O 1320618096 QBYYPYFYYFKBPF-UHFFFAOYSA-N 321.337 -0.331 50 20 DBGD Cc1c([C@@H](C)NC(=O)NNC(=O)C(=O)N2CCCC2)cnn1C 1322197353 PDAPHBWZQLOPRJ-SECBINFHSA-N 322.369 -0.258 50 20 DBGD Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)CS(C)(=O)=O 1330168692 OAPJOBXLRGYGRM-SSDOTTSWSA-N 317.367 -0.023 50 20 DBGD C[C@H](NNC(=O)Cn1cc(S(N)(=O)=O)cn1)C(F)(F)F 1331792332 VLJBSRIZHWYPQF-YFKPBYRVSA-N 315.277 -0.898 50 20 DBGD O=C(CSCC(=O)N1CC[C@@H](B(O)O)C1)N1CCCCC1 1331825849 DEODVIMKUDMKQG-LLVKDONJSA-N 314.216 -0.193 50 20 DBGD CN(C)N(C(=O)/C=C\c1cn(C)cn1)[C@H]1CCS(=O)(=O)C1 1333970882 ZYSRXVZVHVCKHI-RXNFCKPNSA-N 312.395 -0.074 50 20 DBGD Cc1nc(C(C)C)oc1C(=O)NNC(=O)CS(C)(=O)=O 1335367250 MRIOXFCJGOGSLN-UHFFFAOYSA-N 303.340 -0.088 50 20 DBGD O=C(NNC(=S)NC1CCC1)N[C@H]1CCS(=O)(=O)C1 1343847181 SHLZKVLOBBMQTA-QMMMGPOBSA-N 306.413 -0.596 50 20 DBGD O=C(NCc1nnc2n1CCCCC2)NNC(=O)c1cn[nH]c1 1349007806 KJWRCIWQRNQOBG-UHFFFAOYSA-N 318.341 -0.128 50 20 DBGD CN(C)c1ncc(C=NNC(=O)[C@H]2CN3CCC[C@H]3CO2)cn1 1549319686 ITDSWQRLYHSGIX-QWHCGFSZSA-N 318.381 -0.144 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H]1CCCN(CC(=O)O)C1=O 1573887728 GCXXYFCHMHMYMF-MRVPVSSYSA-N 300.315 -0.998 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2ccccc2C(=O)O)nn1 1574448552 BGLNBMOGCDLNAT-UHFFFAOYSA-N 303.278 -0.483 50 20 DBGD CN1CCNC[C@@H]1C(=O)NNC(=O)c1nc2ccccc2s1 1578538743 RAEODXIXPKMMLQ-SNVBAGLBSA-N 319.390 -0.039 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1sccc1C(=O)O 1606018222 SOEZGFFOKYQPGT-UHFFFAOYSA-N 314.323 -0.906 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNC(=O)c2cccnc2)C1=O 1606252964 FCMNYNTVZBJFOS-JTQLQIEISA-N 320.305 -0.834 50 20 DBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)[C@@H]1CCCO1 58248932 QBRXTIYKJFCNIG-JTQLQIEISA-N 310.310 -0.595 50 20 DBGD NC(=O)COc1ccc(C(=O)NNC(=O)NCC2CC2)cc1 139383213 QTSDKPVIWVICMG-UHFFFAOYSA-N 306.322 -0.095 50 20 DBGD COCCNCC(=O)NNc1nc2ccccc2c(=O)n1C 237207239 XKANWOXCJXZNDY-UHFFFAOYSA-N 305.338 -0.387 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)COc2ccc(C#N)cc2)C1 276294352 NCDURJZWSDRAMP-UHFFFAOYSA-N 316.317 -0.437 50 20 DBGD C[C@@]1(C(N)=O)CCN(CC(=O)NNC(=O)c2ccccc2)C1 280523240 FBBLETGSMGDKSC-OAHLLOKOSA-N 304.350 -0.355 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CSCc1ccncc1 299043836 SCMYNDSPSLNPTR-UHFFFAOYSA-N 310.379 -0.013 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)N1CCCC1 299464667 DGKHWAJFKMHHKK-LBPRGKRZSA-N 319.317 -0.404 50 20 DBGD C[C@H]1[C@@H](C)N(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@@]1=O 584984732 BJDKBISQUIAOGU-HORACTTISA-N 313.159 -0.513 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccnc1 729276716 LAZVOLIYJVBWSP-SSDOTTSWSA-N 301.328 -0.828 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccccc2[N+](=O)[O-])C1=O 733123612 VYFLMCAOSKLSDN-UHFFFAOYSA-N 321.249 -0.542 50 20 DBGD CC(=O)NCCCCCC(=O)NNC(=O)N1CCOCC1 745987610 BESGUPCJFQJHIE-UHFFFAOYSA-N 300.359 -0.244 50 20 DBGD CC(=O)CSCC(=O)NNC(=O)CNC(=O)c1ccco1 783110852 LLPVUKBSBWXCON-UHFFFAOYSA-N 313.335 -0.521 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCCc2nn(C)cc21 794507366 BEEGXQUWHGIUJO-QMMMGPOBSA-N 313.383 -0.486 50 20 DBGD CCC[C@H](C(=O)NNc1nccnc1OC)S(N)(=O)=O 816970584 DCTZYGKLMGKADV-SSDOTTSWSA-N 303.344 -0.615 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccccc1-n1cnnn1 843647891 ORTBCNSSTBVKOO-ZJUUUORDSA-N 316.321 -0.152 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCN1C=O 854190802 JXIMZUNBWFNLOR-NSHDSACASA-N 321.333 -0.158 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCC#Cc2ccccc2)N1 858125889 OYBVRXWACXCFNJ-LBPRGKRZSA-N 300.318 -0.353 50 20 DBGD CC1(C)CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCS1 858697270 QJLJPIYOLYPLBU-QMMMGPOBSA-N 300.384 -0.167 50 20 DBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cn1C 860768342 QFWRCIOAPPFFQD-MRVPVSSYSA-N 323.309 -0.757 50 20 DBGD O=C(CC1CCCC1)NCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862451869 AWDOQPVVIQQXAF-JTQLQIEISA-N 310.354 -0.891 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(CC(F)F)C1 864600190 DUQJUKUSNWYNBY-VIFPVBQESA-N 320.340 -0.365 50 20 DBGD O=C(NNC(=O)c1cnn(CC2CC2)c1)C(=O)N1CCCC1 865070206 FLMRFJVQQFAODB-UHFFFAOYSA-N 305.338 -0.324 50 20 DBGD O=Cc1ccc(OCC(=O)N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])c1 874970106 OWJPXTNTGBPSBE-SNVBAGLBSA-N 322.082 -0.139 50 20 DBGD O=C(COC1CCCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886888 VZGDWYIFJXGABL-VIFPVBQESA-N 319.383 -0.537 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccnc(OC)n1 929426936 PDFQIBUHYXYSGO-UHFFFAOYSA-N 313.383 -0.027 50 20 DBGD CC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 1118885333 YIRGQMZBWCJSNF-LBPRGKRZSA-N 318.333 -0.007 50 20 DBGD C[C@H]1CCN(CC(=O)NNC(=O)C2CC2)CCS1(=O)=O 1255807786 VWFSTAYQZMMIPI-VIFPVBQESA-N 303.384 -0.947 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(OC)cc1 1319537261 KRCOWRLYPNPZKK-UHFFFAOYSA-N 309.322 -0.439 50 20 DBGD CSCCNC(=S)NNC(=O)c1cc(C(N)=O)c[nH]1 1319962266 IMZSXQRITPGTOU-UHFFFAOYSA-N 301.397 -0.415 50 20 DBGD CO[C@@H](C)CCC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320002446 MUOYRKJXOMGFHT-IUCAKERBSA-N 307.372 -0.681 50 20 DBGD Cc1nn(C)cc1CCC(=O)NNC(=O)N1CCN(C)CC1 1326869960 LRVWBGLERCBTGS-UHFFFAOYSA-N 308.386 -0.351 50 20 DBGD N#C/C(=C/C1CC1)C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1339375183 DKMCFNSOKNTDEF-VQNWOSHQSA-N 312.347 -0.307 50 20 DBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1 1340427420 HUWHVUQOWZTASJ-LBPRGKRZSA-N 319.365 -0.035 50 20 DBGD CN(C)CC[C@H](N)C(=O)NNc1cc(Br)ncn1 1578414937 BCVYSJQGVGSLBR-ZETCQYMHSA-N 317.191 -0.039 50 20 DBGD O=C(O)c1cncc(NC(=O)c2cc(B(O)O)ccc2F)c1 1595272036 XLARQBSCNLIZHB-UHFFFAOYSA-N 304.042 -0.149 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCSC[C@@H](C(=O)O)C1 1609653469 XLYIWUZAGXOTOS-VIFPVBQESA-N 317.411 -0.071 50 20 DBGD COc1cc(C(=O)NNS(C)(=O)=O)cc(OC)c1OC 1101887 PFCRTEZNMKGGDD-UHFFFAOYSA-N 304.324 -0.094 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 46125132 KAKIWWFJBPACSE-LBPRGKRZSA-N 307.306 -0.548 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccs2)C[C@@H](CO)O1 230014450 UZZYRNNCTASJSC-UWVGGRQHSA-N 313.379 -0.409 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccc2[nH]c(=O)oc12 269750347 QHGGQMWIVWWWQV-UHFFFAOYSA-N 306.278 -0.192 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1cccn1C 288478760 RPXJJDMAGFQZOM-UHFFFAOYSA-N 317.367 -0.212 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)[C@@H](C)N1CCOCC1 584941752 OOCIVZRCQZUXIB-GHMZBOCLSA-N 324.161 -0.656 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 584996664 NUSSBRWRYVNFEW-UXIGCNINSA-N 303.167 -0.011 50 20 DBGD C[C@H]1CO[C@H](C)CN1CCNC(=O)c1ccc(B(O)O)cc1 585005661 DCOIHNSXHKHSLE-NWDGAFQWSA-N 306.171 -0.795 50 20 DBGD OC[C@]1(CNCc2ccc(B(O)O)o2)CCc2ccccc21 585048900 XZBBLFFSGMFYLE-MRXNPFEDSA-N 301.151 -0.075 50 20 DBGD C[C@@H]1C[C@H]1C(=O)NCCc1nc(-c2ccc(B(O)O)cc2)no1 585050931 QCHSSIIGIYUSQP-BXKDBHETSA-N 315.138 -0.269 50 20 DBGD O=C(O)CSCC(=O)NNC(=O)c1ccc2c(c1)OCO2 740485420 OCFJAKALADZUDV-UHFFFAOYSA-N 312.303 -0.006 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)oc1C 758048395 SJVMDIDDFIOXEX-ZETCQYMHSA-N 303.340 -0.405 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccnn1Cc1ccccc1 764429214 PUEAXPNRTHEKKG-UHFFFAOYSA-N 317.305 -0.990 50 20 DBGD CCC(C)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764812760 RJFDLSDYZUYUKH-UHFFFAOYSA-N 306.326 -0.664 50 20 DBGD CC(=O)N1C[C@@H](C(=O)NNC(=O)C(C)(C)O)Oc2ccccc21 768260575 GAEMSEXXJTYJIJ-LBPRGKRZSA-N 321.333 -0.281 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN[C@H](CO)C1CCOCC1 782528030 GGISJZRLIWIQKG-LLVKDONJSA-N 301.387 -0.443 50 20 DBGD Cn1cc([C@H](O)C(=O)NNC(=O)COc2ccc(F)cc2)cn1 785691034 ORRPORGERNJIHO-ZDUSSCGKSA-N 322.296 -0.181 50 20 DBGD CCNC(=O)N(C)NC(=O)Nc1ccn(CC(=O)N(C)C)n1 785845830 RHENMXWXVOTEKI-UHFFFAOYSA-N 311.346 -0.331 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1 805771824 BAMAYOKVXQRKAR-DCAQKATOSA-N 319.427 -0.170 50 20 DBGD N[C@](C(=O)NNC(=O)CO)(c1cccc(F)c1)C(F)(F)F 807195635 JEMXBRNFODRFSR-JTQLQIEISA-N 309.219 -0.318 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 823558577 KKUGNRBHPBCNGO-RITPCOANSA-N 312.317 -0.232 50 20 DBGD O=C(NNc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)N1 846638696 LYZOSONIPWVFQV-QMMMGPOBSA-N 318.286 -0.131 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](N2CCOCC2)C1 846942081 YYVMOYYIFBYDGX-OLZOCXBDSA-N 312.414 -0.271 50 20 DBGD CNC(=S)N(C)NC(=O)C(C)(C)NC(=O)C(F)(F)F 854921114 XTZAVRWPVAHPLW-UHFFFAOYSA-N 300.306 -0.089 50 20 DBGD CNC(=S)N(C)NC(=O)Cn1nnc(-c2ccccc2)n1 854927046 VBZPQIPVWJKROT-UHFFFAOYSA-N 305.367 -0.193 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCN(c3ccccc3)C2)N1 862462866 ZNHXZUCTCDGWKC-DGCLKSJQSA-N 316.361 -0.061 50 20 DBGD Cc1ccc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 863414496 YBDZCAJXOLKPCE-SNVBAGLBSA-N 311.363 -0.108 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc(C(F)(F)F)[nH]1 863466220 RONNTTGCXSOJCA-UHFFFAOYSA-N 313.257 -0.161 50 20 DBGD C#CCCCC(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 901325347 JZOTUTRGMYELAS-UHFFFAOYSA-N 319.365 -0.596 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNc1nncc(N)c1Cl 1116300211 ULQHMNUUVLCCAV-UHFFFAOYSA-N 322.778 -0.227 50 20 DBGD CC(C)(C)C(=O)NNC(=O)N1CCC(S(N)(=O)=O)CC1 1322629016 TXRFAFPYUOBNDH-UHFFFAOYSA-N 306.388 -0.474 50 20 DBGD COCCN(C)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 1329444468 DLRJQGAWVIRJKJ-LBPRGKRZSA-N 323.397 -0.195 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCn2cncc2C1 1339722288 LHTSOVSKGGAVMG-SNVBAGLBSA-N 305.338 -0.785 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1593456443 GOTKHLGLNHNYFX-IUCAKERBSA-N 319.358 -0.302 50 20 DBGD Cn1c(C(=O)NNC(=O)c2cc[nH]n2)ccc1-c1nn[nH]n1 1606211352 NZRIRHKUURECOL-UHFFFAOYSA-N 301.270 -0.997 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCc1ocnc1C(=O)O 1609881104 ZILJDXAPKJSARB-JGVFFNPUSA-N 311.294 -0.122 50 20 DBGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)NC1CC1 49150509 TVNMWZJPMAFQGC-UHFFFAOYSA-N 318.380 -0.481 50 20 DBGD Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)C(=O)NC1CC1 67139691 CNUUFVIENRDKRS-UHFFFAOYSA-N 306.278 -0.057 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)Cn1ccc2ccccc21 104942250 AOEPRXMMMUMZII-UHFFFAOYSA-N 303.322 -0.153 50 20 DBGD CCc1sc(C(=O)NNC(=O)CN2CCNC(=O)C2)cc1C 123679364 QXMCSSQODLHFLG-UHFFFAOYSA-N 324.406 -0.188 50 20 DBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)c2ccc[nH]2)CC1=O 173691141 GSQSBYOYSLWHID-SNVBAGLBSA-N 307.354 -0.814 50 20 DBGD COC[C@H](C)S(=O)(=O)NNC(=O)COc1ccccc1O 265441823 UYIIGRAVUKTORK-VIFPVBQESA-N 318.351 -0.244 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)Cn1cccn1 267131926 CTBPBQUIUYSSPD-WDEREUQCSA-N 313.358 -0.347 50 20 DBGD COc1cccc(NNC(=O)C2=NN(CCO)C(=O)CC2)n1 272947100 HYLFENCFEHRPOL-UHFFFAOYSA-N 307.310 -0.496 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCC(F)(F)F)c(=O)n1 281262108 PDJLYJCSRYTSSS-UHFFFAOYSA-N 321.259 -0.247 50 20 DBGD COCc1nc(C(=O)NNC(=O)N2CCN(C)CC2)cs1 287811758 NBNDRDIGWNQWTK-UHFFFAOYSA-N 313.383 -0.109 50 20 DBGD O=C(CC1CC1)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 294159334 MZLXODCGAJIIBH-QWHCGFSZSA-N 318.333 -0.095 50 20 DBGD CN(CC(=O)NNC(=O)Cc1cc[nH]n1)C(=O)OC(C)(C)C 495172133 IASMIJWLKVEFHF-UHFFFAOYSA-N 311.342 -0.034 50 20 DBGD C[C@H](NC(=O)CC(F)(F)F)C(=O)Nc1cccc(B(O)O)c1 584911770 YGYNUFAJGNBKDF-ZETCQYMHSA-N 318.060 -0.238 50 20 DBGD CN1CC[C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@H]21 584971292 OIHDRQDLWYAVIG-IINYFYTJSA-N 306.146 -0.328 50 20 DBGD CN(Cc1noc(C2CC2)n1)C(=O)c1cccc(B(O)O)c1 585001236 UEOHXDBWZHNUBA-UHFFFAOYSA-N 301.111 -0.101 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(B(O)O)c2)C1=O 585001652 XIEDTGXQIMUNNO-GFCCVEGCSA-N 304.155 -0.504 50 20 DBGD Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CC[C@@H](B(O)O)C1 585079333 YRYWEZPQQVBLMP-SNVBAGLBSA-N 318.142 -0.330 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 729258495 ZFSUYNKJDQLWSX-JTQLQIEISA-N 305.290 -0.761 50 20 DBGD O=C(NNC(=O)c1cnns1)c1cccc(-c2nn[nH]n2)c1 738133999 BTRLILYMJQNNJE-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)C[C@H]2SC(=N)NC2=O)cc1 742598160 VARUMYXOENOZBV-SECBINFHSA-N 317.330 -0.124 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NCCOCCS(C)(=O)=O 743599202 RALSFZOSUUHZJU-UHFFFAOYSA-N 309.388 -0.576 50 20 DBGD CN(C)C(=O)NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O 746008667 RCFALYHSFPMFEN-UHFFFAOYSA-N 311.342 -0.457 50 20 DBGD C#CCSCCNC(=O)NNC(=O)[C@H](C)OCCOC 748633259 RKNYLCCYKATQPK-JTQLQIEISA-N 303.384 -0.265 50 20 DBGD C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(C(N)=O)nn1 757404318 ORNQEUHTVZEMEI-RKDXNWHRSA-N 309.326 -0.397 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)o1 759773335 DSPHLTTWZOUFDK-RKDXNWHRSA-N 310.310 -0.435 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1ncc(F)cn1 760908190 IFJPVHQJVCZTSI-UHFFFAOYSA-N 321.334 -0.985 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1ccon1 763839026 XPTKKSSITFXXMG-UHFFFAOYSA-N 322.252 -0.021 50 20 DBGD NC(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 765620711 ZXJFWCPIPQWFRG-UHFFFAOYSA-N 320.284 -0.355 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCO[C@@H](C)C1 770351826 LJSMTEYANZHINJ-AXFHLTTASA-N 303.359 -0.064 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCSC[C@H]1C(N)=O 773566071 CBQIHKZOVYVDHA-ZJUUUORDSA-N 316.427 -0.529 50 20 DBGD Cn1ccc(CC(=O)NNC(=O)COc2ccccc2O)n1 782668181 LOLIUGDVBREJTA-UHFFFAOYSA-N 304.306 -0.105 50 20 DBGD CC(C)NC(=O)C(=O)NN=C(CS(=O)(=O)N(C)C)C(C)C 794886452 LFEZQWMEAUFJBH-UHFFFAOYSA-N 320.415 -0.469 50 20 DBGD C=CCNC(=S)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)C 798305593 WKSKZLQUXMMVLE-QMMMGPOBSA-N 308.429 -0.759 50 20 DBGD O=C(CN1CCS(=O)(=O)CC1)NNc1cccc(F)n1 804770429 BBOPIKUFAUQGSE-UHFFFAOYSA-N 302.331 -0.606 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)CC2CC2)CC1 819141518 ZWUXQPADNPGGRG-UHFFFAOYSA-N 317.411 -0.004 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(C)(C)CN1CCOCC1 824016702 PUYMWHNTZJZZOX-NEPJUHHUSA-N 313.398 -0.083 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCNC(=O)c1ccco1 825617041 BLBYCLYKGAHUSR-UWVGGRQHSA-N 324.337 -0.235 50 20 DBGD CC1=C(C(=O)NNc2ncccn2)[C@H](C)n2nnnc2N1C 847320948 JTKMQRPFGRTVPF-QMMMGPOBSA-N 301.314 -0.109 50 20 DBGD COC(=O)N(C)NC(=O)CNS(=O)(=O)c1ccccc1N 854408953 DVFPSKCGYGVOIH-UHFFFAOYSA-N 316.339 -0.724 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 854920147 LXDUAZSTXLBGJF-UHFFFAOYSA-N 322.394 -0.901 50 20 DBGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2cc[nH]n2)C1=O 855362153 PDWGLGWUWLSUOH-UHFFFAOYSA-N 322.325 -0.719 50 20 DBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1cccc(F)n1 856422642 AQEXPAVUNSUHHC-LLVKDONJSA-N 307.329 -0.628 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)CN1CCCC1 858277913 PTOOZAYEVGBMBO-QWRGUYRKSA-N 311.386 -0.673 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ccc1C(N)=O 860606291 UNJVQLRXULPMRJ-JTQLQIEISA-N 319.321 -0.475 50 20 DBGD CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860937526 DFTZFZDYJFLYEI-QMMMGPOBSA-N 307.310 -0.088 50 20 DBGD COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1C 862457438 JPEZRBUSLLPKMZ-MRVPVSSYSA-N 322.321 -0.542 50 20 DBGD COc1cc(C=O)ccc1OCC(=O)N1CC[C@H](B(O)O)C1 874969563 HMVNAGQORLOGSJ-NSHDSACASA-N 307.111 -0.038 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCCS1(=O)=O 1116573878 RAPQVGFKKSJQAR-LLVKDONJSA-N 311.363 -0.261 50 20 DBGD C#CCn1ccnc1C=NNC(=O)Cc1cc(O)nc(S)n1 1261128388 QJGMAKHXSMQYOG-UHFFFAOYSA-N 316.346 -0.007 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1321175134 UOWUMLRKVCLAJH-UHFFFAOYSA-N 319.346 -0.489 50 20 DBGD CCOc1cc(NC(=O)C(=O)NNC(=O)C(=O)OC)ccc1C 1321697538 SHOTYUFQRXOCAI-UHFFFAOYSA-N 323.305 -0.347 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H]1CC[C@H](O)CC1 1325478602 CKPVORDJCKUEAJ-DCAQKATOSA-N 303.359 -0.328 50 20 DBGD C[S@](=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 1329202226 XJSRCVXWKAJRCM-CWKPULSASA-N 309.347 -0.536 50 20 DBGD Cc1nc(C)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]1 1334735195 RRBHQDZZANURNH-QMMMGPOBSA-N 300.340 -0.778 50 20 DBGD CCc1cnccc1CNC(=O)NNC(=O)C(=O)NC1CC1 1337412778 GRTXZHMPRDAVQU-UHFFFAOYSA-N 305.338 -0.247 50 20 DBGD COCCn1cc(C=NNC(=O)[C@@H]2CN3CCC[C@H]3CO2)cn1 1549320280 YTLHCEBYMFMPSU-KBPBESRZSA-N 321.381 -0.157 50 20 DBGD O=C(CCN1CCCC1=O)NNc1ccc(-c2nn[nH]n2)cn1 1592843578 WJLSUSHCNLMNOQ-UHFFFAOYSA-N 316.325 -0.283 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 1593909431 WTBGUQUXAZZLDH-JTQLQIEISA-N 323.305 -0.511 50 20 DBGD Cc1oc(S(=O)(=O)NNC(=O)[C@H]2CCCO2)cc1C(=O)O 1600856161 UXLVCCYUMCGHHL-MRVPVSSYSA-N 318.307 -0.225 50 20 DBGD O=C(/C=C/c1cc(C(=O)O)co1)NNC(=O)[C@@H]1CCC(=O)N1 1601234279 UEMHQQQSUPRYSA-ARLXTTGXSA-N 307.262 -0.583 50 20 DBGD O=C(CC1CC1)NNC(=O)C1(C(=O)O)CCS(=O)(=O)CC1 1605669337 BGEGBJPDUHJSSZ-UHFFFAOYSA-N 318.351 -0.787 50 20 DBGD Cc1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cn2)c(N)n1 1606087003 FXIBRNUGQTYCFK-UHFFFAOYSA-N 312.297 -0.301 50 20 DBGD O=C(NCCn1cc(C(=O)O)nn1)NNc1ccc(F)cn1 1610695823 RYJUTZHGULKBHR-UHFFFAOYSA-N 309.261 -0.163 50 20 DBGD CN(C)CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349795 OFWATAMNNJKJPH-JTQLQIEISA-N 303.790 -0.649 50 20 DBGD CCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558090 HOORHKDIUOWFRR-DCAQKATOSA-N 304.774 -0.176 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H]1CSCCS1 269721068 UNHQIQJQKUZGEU-QMMMGPOBSA-N 305.425 -0.103 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCC(=O)N2)cc1 270609860 CKNOUCFGLDYSCB-LBPRGKRZSA-N 320.349 -0.077 50 20 DBGD O=C(/C=C\c1ccc(O)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 492614588 QFGUOIXNDBWYIS-UUSYTGMJSA-N 324.358 -0.013 50 20 DBGD C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(B(O)O)cc1)C[C@@H](C)O2 584983202 NNDCUBYLZDISGB-BFQNTYOBSA-N 319.166 -0.225 50 20 DBGD O=C1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)[C@@H](C2CC2)N1 584987719 TVTNUXPBIOZBOM-TZMCWYRMSA-N 320.129 -0.708 50 20 DBGD CC[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)C[C@H](C)[S@@]1=O 584988116 DWTKREZHFMYJSA-SXKUGOIWSA-N 309.196 -0.262 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)CCS(C)(=O)=O 732199483 MNWAMOJRASTJBB-SNVBAGLBSA-N 307.416 -0.455 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CCn2cc[nH]c(=O)c2=O)n1 748338754 HZOJBLKKZQNUKH-UHFFFAOYSA-N 324.728 -0.178 50 20 DBGD Cc1ccnc(NNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 755850956 TVIOGQAQOZCXOM-UHFFFAOYSA-N 324.366 -0.455 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2nnc3ccccn23)cn1 756433067 MTTBNWFKMVOZCA-UHFFFAOYSA-N 300.282 -0.071 50 20 DBGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(C)=O)c1 775249263 JOGPKXWBWCHVPH-UHFFFAOYSA-N 306.365 -0.190 50 20 DBGD CC(C)CN(CC(N)=O)CC(=O)NNC(=O)c1cccs1 777555672 PKHMMWVAOONTDP-UHFFFAOYSA-N 312.395 -0.048 50 20 DBGD C[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1ncn(C)n1 781950929 YJKJXHRJVMRYQE-SNVBAGLBSA-N 302.338 -0.073 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1 782012743 LGQWTLRMQDFICZ-NWDGAFQWSA-N 314.430 -0.291 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNC(=O)N=c1cc[nH]cc1 802024003 CXTHZUAICWSHJP-UHFFFAOYSA-N 305.254 -0.539 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(CO)ccc1O 814835718 ZMYMHTHAQQXCKJ-QMMMGPOBSA-N 315.351 -0.728 50 20 DBGD COCCN1C[C@H](C(=O)NNc2ccc(C(=O)O)cn2)CC1=O 833723787 AKUJUJKRKOTYDR-SNVBAGLBSA-N 322.321 -0.282 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 840572325 RUTWAXDRVBHVEZ-JTQLQIEISA-N 322.369 -0.662 50 20 DBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@H]1C1CC1 844479030 LPTIITAFPSPFDL-NWDGAFQWSA-N 311.382 -0.079 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cnc2[nH]nnc2c1 854283303 QEYGLSIWGNVDFK-UHFFFAOYSA-N 323.382 -0.160 50 20 DBGD CNC(=O)NCCC(=O)NN(C)C(=S)NCCCOC 854286339 VOOHIJCTLPKSGT-UHFFFAOYSA-N 305.404 -0.821 50 20 DBGD O=C(CCNC(=O)OCC(F)(F)F)NNC(=O)c1cc[nH]n1 855359047 DAYSARAKJVNOOI-UHFFFAOYSA-N 323.231 -0.151 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)OCC(F)(F)F 856018582 CXTRYKQBEGCXQD-RXMQYKEDSA-N 321.277 -0.366 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H]2C(N)=O)c1 859665570 UNVQEDHLUICBGP-LBPRGKRZSA-N 315.333 -0.731 50 20 DBGD COC(=O)c1ccc(NNC(=O)COCc2nncn2C)nc1 1117718291 OTUWHURMWRQHSR-UHFFFAOYSA-N 320.309 -0.343 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NNc2cnnn2C)cc1 1118769724 GGTOYVCWNAEWDC-UHFFFAOYSA-N 324.366 -0.130 50 20 DBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C1CC1 1255557772 QODXPVAVVHUOHG-UHFFFAOYSA-N 323.309 -0.907 50 20 DBGD CN(C)C(=O)O[C@@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1261792153 NOZJBOCUGBMYGE-SNVBAGLBSA-N 324.341 -0.073 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 1323966626 FKEJZMGKTKKVBJ-UHFFFAOYSA-N 322.321 -0.357 50 20 DBGD COC(=O)Cc1occc1C(=O)NNC(=O)Cc1cc[nH]n1 1325103303 CCMGZIPXRJDDCT-UHFFFAOYSA-N 306.278 -0.278 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)Nc2ccccn2)CO1 1329272491 JRDZRLWMTKMPFS-RKDXNWHRSA-N 307.310 -0.472 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1C[C@]12CCNC2 1574300157 DTNXKNDWNUXBIG-OTYXRUKQSA-N 306.322 -0.844 50 20 DBGD Cc1ncc2n1C[C@H](C(=O)NNC(=O)[C@H]1CCCNC1)CC2 1579877422 MYGOIJNKKJTNPE-NWDGAFQWSA-N 305.382 -0.099 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1cc(-c2nn[nH]n2)cc(N(C)C)c1 1589882116 JXFQPQASZJQJQM-VIFPVBQESA-N 319.369 -0.110 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@H](C[C@H]1CCCO1)C(=O)O 1590939549 ZKTWNDYQMDZNBK-NXEZZACHSA-N 301.343 -0.598 50 20 DBGD COc1ccc(CCC(=O)NNC(=O)COCC(=O)O)cc1 1594088558 QSASCDPSLVZWGM-UHFFFAOYSA-N 310.306 -0.124 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccccc2C(=O)O)N1 1595281887 DUAQFAXEJDIITP-SECBINFHSA-N 306.278 -0.184 50 20 DBGD COCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)[nH]c1C 1605089352 UVMHBERGJNKOHE-UHFFFAOYSA-N 322.329 -0.516 50 20 DBGD C[C@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1795951518 FXAHRYAILSRPFK-RMPHRYRLSA-N 317.817 -0.181 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(F)c(F)c1F 111597600 ILSFGBIIUBDSPX-UHFFFAOYSA-N 318.255 -0.201 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 268460923 UDMHBZZCMWOZHQ-JGVFFNPUSA-N 302.331 -0.242 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NCCN1CCNC(=O)C1 273064330 YUKVPKVZTLXUNT-UHFFFAOYSA-N 319.365 -0.629 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)C1CCC1 280810267 GZPCRPMFZNYNSH-HNNXBMFYSA-N 307.350 -0.145 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNC(=O)C2CCC2)nn1 284323962 WCWLFNCSOLWZSI-UHFFFAOYSA-N 310.314 -0.805 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ncn(C)n1 290330195 BOGHCQKUBMPZNS-SSDOTTSWSA-N 312.330 -0.511 50 20 DBGD CCOC(=O)c1cn[nH]c1S(=O)(=O)NNC(=O)CC(C)C 298066068 APTMPHXYWOGVSL-UHFFFAOYSA-N 318.355 -0.058 50 20 DBGD CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)CO 368271946 KMBFPLJAPJVJDW-ZDUSSCGKSA-N 305.334 -0.338 50 20 DBGD C=CCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCS(=O)(=O)C1 584933362 FWJYQJKKRZIMBR-ZDUSSCGKSA-N 323.179 -0.818 50 20 DBGD NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(B(O)O)c1 584937659 WYRLSGYRLMSVPN-BPNCWPANSA-N 316.166 -0.375 50 20 DBGD COC[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@@H](C)O1 584979479 VGDDGZUJVQMPFK-MWLCHTKSSA-N 311.118 -0.619 50 20 DBGD OC[C@H](C[C@H](O)c1ccccc1)NCc1ccccc1B(O)O 585035422 UFNMYUFOHMSYSK-RDJZCZTQSA-N 315.178 -0.059 50 20 DBGD O=C(Cn1cc(C(=O)NCB(O)O)cn1)NC1CCCCC1 585060011 JJTDUIBAUOQEPS-UHFFFAOYSA-N 308.147 -0.926 50 20 DBGD O=C1C[C@H](C(=O)N2CC[C@@H](B(O)O)C2)CN1CC(F)(F)F 585078379 YFSDBJLECNVBPX-JGVFFNPUSA-N 308.065 -0.528 50 20 DBGD O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1O 725903892 KFQNOTNMKSRILT-SECBINFHSA-N 312.347 -0.022 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN(CCN(C)C)CC1 731280060 FDRISEOYJYAHAU-UHFFFAOYSA-N 315.418 -0.621 50 20 DBGD O=C(NNS(=O)(=O)c1ccccc1-c1nn[nH]n1)C1CCC1 738134213 GREJWUFXQYQLSH-UHFFFAOYSA-N 322.350 -0.024 50 20 DBGD CN(C)c1nccc(NNC(=O)CN2CCCS2(=O)=O)n1 740103697 YUEVBPMOQKNFLO-UHFFFAOYSA-N 314.371 -0.979 50 20 DBGD CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccn(C)n1 758106458 GRLGDFFHPVAZKY-MRVPVSSYSA-N 301.372 -0.412 50 20 DBGD O=C(NCc1ccco1)NNS(=O)(=O)N1CCOCC1 765061008 VIWXXLRHTZACDT-UHFFFAOYSA-N 304.328 -0.840 50 20 DBGD COC(=O)Cc1cccc(NC(=O)NNC(=O)CN(C)C)n1 792408990 FPVOUWFJXFUEGM-UHFFFAOYSA-N 309.326 -0.489 50 20 DBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)NCC(F)(F)F)S1 798314057 VJVKZFBBBYEKQU-GSVOUGTGSA-N 313.261 -0.564 50 20 DBGD CCN(CC(=O)NNC(=O)c1ccc(C)cc1)[C@@H]1CCNC1=O 799353229 FNCAJZOFVZFWFR-CYBMUJFWSA-N 318.377 -0.034 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)NCc2ccco2)c1=O 815113225 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O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2CCN(C3CC3)C2)N1 1328699015 AYBXXPGCWUZPCL-MWLCHTKSSA-N 309.370 -0.920 50 20 DBGD Cc1nnc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 1333776518 BDIRBCQHSKLQOA-LURJTMIESA-N 304.353 -0.958 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1C[C@]12CCNC2 1574300158 DTNXKNDWNUXBIG-XPTSAGLGSA-N 306.322 -0.844 50 20 DBGD Cn1c(C(=O)NNC(=O)c2ccnnc2)ccc1-c1nn[nH]n1 1581752189 QUBJEOOFWVLEQD-UHFFFAOYSA-N 313.281 -0.930 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N[C@@H](Cc1cncs1)C(=O)O 1594712536 QPSJIDISDHXXTD-APPZFPTMSA-N 314.367 -0.326 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(/C=C/C(=O)O)o1 1599747500 ZJNCZYWWTWXAOI-SQZZNVHGSA-N 300.292 -0.128 50 20 DBGD O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)NNC(=O)C(=O)O 1601491305 IRUWHXCUOQJPHW-RITPCOANSA-N 313.232 -0.099 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@H](Cc1cncs1)C(=O)O 1603705979 IVIRCVSOBNGQNX-SECBINFHSA-N 314.367 -0.468 50 20 DBGD Cn1nc(C(=O)O)cc1C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 1605539544 YCUZFYXQRJZQHA-MATHAZKKSA-N 308.294 -0.553 50 20 DBGD CN1CCN(C(=O)NNC(=O)Cc2ccccc2C(=O)O)CC1 1606233977 DFZZIMKYBPPJOD-UHFFFAOYSA-N 320.349 -0.085 50 20 DBGD COc1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)C(=O)O 1607169216 AIHVNTHKMGMVDX-UHFFFAOYSA-N 317.204 -0.856 50 20 DBGD O=C(O)/C=C\c1ccc(C(=O)NNC(=O)[C@@H]2COCCO2)o1 1608658619 ZOLZMFHKXLFXPB-GQPNGRKGSA-N 310.262 -0.446 50 20 DBGD CCNC(=O)NNC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 1610008391 KKGKQVGDZIKIJI-ZETCQYMHSA-N 318.330 -0.295 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(OC)ncn1 273427948 KPGDRFHYEQREPL-QMMMGPOBSA-N 313.314 -0.311 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)NC(C)C 299012953 OAHPBHZOBHVDRX-JTQLQIEISA-N 312.370 -0.551 50 20 DBGD COC(=O)N(C)NC(=O)c1cccc(CS(N)(=O)=O)c1 495764453 XEIFCMTXCGDMMM-UHFFFAOYSA-N 301.324 -0.182 50 20 DBGD C[C@H]1CC[C@H](NCc2ccc(B(O)O)cc2F)CS1(=O)=O 585047253 MCKKJAVLSKAGMN-CABZTGNLSA-N 315.175 -0.439 50 20 DBGD O=C1CCCN1CCc1nc(-c2cccc(B(O)O)c2)no1 585052228 VHCVUCFLPOXCLX-UHFFFAOYSA-N 301.111 -0.419 50 20 DBGD CC(C)[C@@H](C(=O)NCB(O)O)N1C(=O)c2ccccc2C1=O 585054390 KYAQVPOZLFVIKR-NSHDSACASA-N 304.111 -0.565 50 20 DBGD Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1C(N)=O 585058091 SPZTTWNHDCDDKO-VIFPVBQESA-N 312.156 -0.669 50 20 DBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)C1CCC1)n1cccn1 732142117 SRYPDTYZYIKLAV-JTQLQIEISA-N 307.354 -0.150 50 20 DBGD C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)n1cncn1 746549871 IDPYRWVECOXACQ-JTQLQIEISA-N 313.321 -0.123 50 20 DBGD Cc1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)c(=O)n(C)c1 757715338 KPTKKJNAYDXLPZ-UHFFFAOYSA-N 304.310 -0.188 50 20 DBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 757763277 ZWNMBFBXVSQXOH-UHFFFAOYSA-N 305.254 -0.388 50 20 DBGD Cc1ccnc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 758000439 PWZOWFMINGQYBU-SECBINFHSA-N 312.351 -0.023 50 20 DBGD CC1(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)COC1 782552013 DGRJHRXBKGTITK-UHFFFAOYSA-N 302.294 -0.540 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 807206378 SLKUNFKYOPAGPS-MRVPVSSYSA-N 314.342 -0.721 50 20 DBGD CCOC(=O)Cn1ccc(NC(=O)NNC(=O)c2cc[nH]n2)n1 823908201 IFBWWLDIYRQTJT-UHFFFAOYSA-N 321.297 -0.364 50 20 DBGD CNC(=S)N(C)NC(=O)c1cn(CC(=O)C(C)(C)C)nn1 854924157 FGTXAEBXPCVSMI-UHFFFAOYSA-N 312.399 -0.026 50 20 DBGD C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 857870360 FFVCFNGZDREOQE-QNSHHTMESA-N 305.338 -0.498 50 20 DBGD C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 857870362 FFVCFNGZDREOQE-SZEHBUNVSA-N 305.338 -0.498 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2COCCN2)cc1 861682847 WWOMQKCTPDKPLE-LBPRGKRZSA-N 303.322 -0.509 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCC1=O 862453022 HVTLWVMTIWQLHA-CABZTGNLSA-N 310.354 -0.941 50 20 DBGD Cn1cnn(CCC(=O)NNCC(F)(F)C(F)(F)F)c1=O 863100080 SCNOJWMLGDAXGK-UHFFFAOYSA-N 317.218 -0.210 50 20 DBGD CN(CC(=O)NNC(=O)C1CCOCC1)[C@H]1CCSC1 883067201 YVHVAFUMWNQZLE-NSHDSACASA-N 301.412 -0.002 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCC(=O)N1C 907195695 KEXHSDNYNOVNRR-QMMMGPOBSA-N 304.441 -0.144 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CC[C@H](O)CC3)nc21 1118002468 BETIGBNAXWAKRS-ZKCHVHJHSA-N 321.341 -0.002 50 20 DBGD O=C(CCCn1cccn1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1251416266 GGYRKNKUDZPRRZ-JTQLQIEISA-N 314.367 -0.755 50 20 DBGD O=C(NNCC(F)(F)C(F)(F)F)c1nnc(O)nc1O 1261832939 GLFMEIBOJLHPSO-UHFFFAOYSA-N 303.147 -0.285 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN2CCC[C@H]2C1 1318093588 PMYBAJIUFITXPB-RYUDHWBXSA-N 323.397 -0.434 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)NCC(F)(F)F)nn1 1321175536 ZFCFDQWRCZFOCT-RXMQYKEDSA-N 310.236 -0.776 50 20 DBGD C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 1330437430 ULVULBYZUCIKJE-XVKPBYJWSA-N 305.338 -0.498 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(C)n1 1331768456 ZDFNCQZFTXUKOV-SNVBAGLBSA-N 319.321 -0.937 50 20 DBGD CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)CS(C)(=O)=O)C1 1335369431 ZVZQBMBWPOENFT-NXEZZACHSA-N 306.384 -0.226 50 20 DBGD COc1cncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCCO2)n1 1349564730 SZLCIPIZVBILEW-QMMMGPOBSA-N 323.309 -0.860 50 20 DBGD CC(C)NC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1574297404 VLJLSTQCUBXCEX-UHFFFAOYSA-N 308.371 -0.278 50 20 DBGD CC[C@@H](N)C(=O)NNC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1578223159 TWBXAOLPVBUAAJ-BDAKNGLRSA-N 300.359 -0.120 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NCC(N)=O)cc(-c2nn[nH]n2)n1C 1591816886 MNTXWUJOGFENSV-YCRREMRBSA-N 314.309 -0.978 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(CC(=O)O)C2=O)o1 1594347071 SAZQUBCCDBILCY-SECBINFHSA-N 323.305 -0.328 50 20 DBGD COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CN(C)C(=O)N1 1599376622 XPXNAGPDRDVWLA-VIFPVBQESA-N 308.294 -0.140 50 20 DBGD COc1ccnc(NNC(=O)Nc2ccn(CC(=O)O)n2)n1 1599722589 MZCKSQCPKYAGML-UHFFFAOYSA-N 307.270 -0.085 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCO[C@]2(CCSC2)C1 1601552961 PDNKCGGBHDZGQB-WRWORJQWSA-N 303.340 -0.544 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@](COC)(C(=O)O)C1 1603486269 ITYBGZRDRAQELC-NOZJJQNGSA-N 301.343 -0.645 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccccc2C(=O)O)CC1 1606234472 JEFSMNUSXZXQTA-UHFFFAOYSA-N 306.322 -0.013 50 20 DBGD Cc1cc(S(=O)(=O)NNC(=O)NCC(=O)O)ccc1F 1610477920 PKMNJVGCRUUAIG-UHFFFAOYSA-N 305.287 -0.289 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 54029779 WLYCRAGJGDXCQS-UHFFFAOYSA-N 319.325 -0.357 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)NC1CC1 143242491 HFDMVYGIXQNINJ-JTQLQIEISA-N 317.349 -0.077 50 20 DBGD Cn1nccc1/C=C(/C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 255679594 NZYVQMQUKJDCCP-VURMDHGXSA-N 314.305 -0.810 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 268375414 ZOXXIYIZHPUVDI-PWSUYJOCSA-N 320.349 -0.028 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1cccnn1 273214178 SIKUQDJSGVAFSA-SECBINFHSA-N 301.372 -0.116 50 20 DBGD COC(=O)NCC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 273324980 XNFOOJJLXSHCTF-SSDOTTSWSA-N 318.330 -0.597 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)S(C)(=O)=O)c(O)c1 299069565 YBRCZZBOKFQFSY-QMMMGPOBSA-N 300.336 -0.105 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNC(=O)N1CCOCC1 299355005 HNVZAOVBDVNIOJ-UHFFFAOYSA-N 314.367 -0.319 50 20 DBGD Cn1ccnc1[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584966744 KCHFQXNIYIDRMG-SNVBAGLBSA-N 317.129 -0.131 50 20 DBGD CCc1ccccc1OCC(=O)NNC(=S)NCC(N)=O 727066242 LPRLJHISRIMETB-UHFFFAOYSA-N 310.379 -0.392 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCCCNC1=O 728951232 COBAMYUDDUVOQP-LLVKDONJSA-N 305.338 -0.377 50 20 DBGD CN1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732259129 MEHPSCQLVWRLTC-ZJUUUORDSA-N 303.384 -0.947 50 20 DBGD CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cnn(C)c1 735512758 MVYBLGOLQXUMDA-RKDXNWHRSA-N 310.358 -0.333 50 20 DBGD COCCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C)C(N)=O 744398252 MZXRRSHAKBASFA-SECBINFHSA-N 302.375 -0.998 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCC[S@](C)=O)n1 745848393 MGLANAQMXKJBLT-FQEVSTJZSA-N 301.372 -0.791 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)n1cccn1 751202062 PBSRSTJKQOFTLP-SECBINFHSA-N 305.294 -0.386 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)c1cc2ccccc2o1 751590612 NGDNKTAMDKAASJ-UHFFFAOYSA-N 311.319 -0.257 50 20 DBGD CC(C)CS(=O)(=O)CCC(=O)NNC(=O)Cc1cc[nH]n1 755287315 YOAMEBZAHIPBAB-UHFFFAOYSA-N 316.383 -0.440 50 20 DBGD CC(C)OCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758034525 GUOZIIYWTNTWQL-VIFPVBQESA-N 309.388 -0.723 50 20 DBGD CCc1[nH]nc(C(=O)NNC(=O)Cc2cc[nH]n2)c1[N+](=O)[O-] 758079799 KNXPVEFTLMKLSB-UHFFFAOYSA-N 307.270 -0.393 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1cccc(OC(F)F)c1 761157034 SLMKCXYAGUISBL-UHFFFAOYSA-N 316.264 -0.022 50 20 DBGD COc1cc(C#N)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 766260251 PSVRUIXQBKCXCY-UHFFFAOYSA-N 319.321 -0.786 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC(=O)N(CC)C1 807368357 FKFFXOLYKKRWNZ-SNVBAGLBSA-N 315.370 -0.209 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(C(=O)NC)CC1 807371857 UZWPHGQRKIJDFL-UHFFFAOYSA-N 301.343 -0.551 50 20 DBGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)c1ccc[nH]1 809972820 ZNQKGTHQMOCSOF-UHFFFAOYSA-N 323.334 -0.851 50 20 DBGD COC(=O)[C@@H](COC(C)C)N(C)CC(=O)NNC(=O)C(C)C 828073692 SBDBKHVCBPJHQB-LLVKDONJSA-N 317.386 -0.312 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H]1CC12CCNCC2 831180634 PXVPXSRKHLXJCR-WDEREUQCSA-N 314.386 -0.490 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)C[C@@H]1CC(=O)N1 831458741 AEABUJRRSGHRLW-QMMMGPOBSA-N 309.347 -0.090 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)[C@@H]1CCCCO1)C(C)=O 854683631 SHGNFUUVDXPHPN-MNOVXSKESA-N 314.338 -0.139 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)N1 858700393 KZFYKBABKPOUHN-NGDQXYMTSA-N 304.350 -0.240 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H]2C(N)=O)c1 859666154 ZIARFAPANOWRAQ-LBPRGKRZSA-N 304.350 -0.294 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCNC1 861706661 YWKBHHYZLWNPIG-SNVBAGLBSA-N 308.338 -0.234 50 20 DBGD O=C(/C=C/CN1CCOCC1)NNC(=O)NCC(F)(F)F 868028307 VHILHMTTXMITDH-OWOJBTEDSA-N 310.276 -0.233 50 20 DBGD COC(=O)N(C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 875312444 DHLPCAVUJNYIQK-LLVKDONJSA-N 301.391 -0.218 50 20 DBGD C=CCNC(=S)NNC(=O)CN1CCCCS1(=O)=O 899939533 SHDMARNSSFMDBM-UHFFFAOYSA-N 306.413 -0.907 50 20 DBGD CC(C)(C(=O)NNC(=O)CS(C)(=O)=O)N1CCCCC1 913240581 ABTSIMFVAPHZLE-UHFFFAOYSA-N 305.400 -0.557 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H](C)Sc1nncn1C 918689536 YHQHJZGHGQVWIF-ZETCQYMHSA-N 300.413 -0.023 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](C)N1CCC(C)CC1 1318942046 MXPYQUWQDFJLEU-SNVBAGLBSA-N 300.359 -0.390 50 20 DBGD Nc1cnnc(NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1Cl 1319777375 QJPRNUFTSVTCFF-ZCFIWIBFSA-N 319.774 -0.020 50 20 DBGD COc1ncc(/C=C\C(=O)NNC(=O)C(=O)NC(C)C)cn1 1324149966 GOLWKHKMNRDLHL-PLNGDYQASA-N 307.310 -0.830 50 20 DBGD Cc1nnc(CC(=O)NNC(=O)Cc2cn3ccccc3n2)o1 1326057535 DEZVABLGXACTIE-UHFFFAOYSA-N 314.305 -0.042 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1[N+](=O)[O-] 1329644319 IFYJZJUQLUWGQI-MRVPVSSYSA-N 322.277 -0.357 50 20 DBGD C[C@]1(CNC(=O)C(=O)N2CCNCC2)C[C@H]1Br 1334722225 XGVFNGPTJQQFQB-LDYMZIIASA-N 304.188 -0.292 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1ccccc1F 1346470926 GSTNVRQUBBLGCJ-SMDDNHRTSA-N 320.368 -0.096 50 20 DBGD CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(=O)OC 1590369189 SMKGELHFMLNNFI-QMMMGPOBSA-N 305.298 -0.096 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 1605088998 IPGDWOYDDBPHGU-UHFFFAOYSA-N 320.313 -0.758 50 20 DBGD Cc1c[nH]nc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1605506323 PZWZNJMNTZVKLK-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD O=C(O)CN(C(=O)c1ccc(B(O)O)cc1)C1CCOCC1 1606220198 XYHOBECPYUNRMX-UHFFFAOYSA-N 307.111 -0.928 50 20 DBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1[N+](=O)[O-] 9889219 WJUFMLKKSRJTKY-UHFFFAOYSA-N 306.278 -0.057 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cn1 117820498 COOJZKGPIIOJTQ-UHFFFAOYSA-N 314.305 -0.325 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC(=O)N(C)C1 122602692 VDBPGUYVTGUBOL-SNVBAGLBSA-N 315.333 -0.118 50 20 DBGD Cn1cc(C(=O)NNC(=O)CN2CCCCCCC2=O)cn1 172081610 BQEZFAWLYLKDQM-UHFFFAOYSA-N 307.354 -0.026 50 20 DBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)C2CC2)nc1 276790286 KEMBUYYUTBOVDV-UHFFFAOYSA-N 313.339 -0.448 50 20 DBGD Cc1cc(C(=O)NNC(=O)CCC(=O)c2cnn(C)c2)[nH]n1 281256974 QNZBVSGFXHVXCC-UHFFFAOYSA-N 304.310 -0.124 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1ncncc1F 293930470 HOQYBKXDBWKHOS-AWEZNQCLSA-N 321.312 -0.020 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 364080605 HJQWKHMGXQJGJI-MRVPVSSYSA-N 317.309 -0.296 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cn1 491162019 QELREPKIZYAWKK-QJGQKNTRSA-N 323.378 -0.523 50 20 DBGD O=C(NC[C@@H](CO)Cc1ccco1)c1ccc(B(O)O)c(F)c1 584930895 FVDDYWUOFNPHGI-JTQLQIEISA-N 321.113 -0.321 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN(C2CC2)C1 584994661 MONMXACFESHORX-GFCCVEGCSA-N 302.183 -0.077 50 20 DBGD CN(C)CCn1cc(NC(=O)c2cccc(B(O)O)c2)cn1 585004789 NGUFOYMBKSSKSY-UHFFFAOYSA-N 302.143 -0.623 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274536 QMAFWFZQACGURQ-LURJTMIESA-N 306.369 -0.850 50 20 DBGD CC(C)(NC(=O)O)C(=O)NNC(=O)COc1ccccc1O 736337875 WQLJICTZBSDBNN-UHFFFAOYSA-N 311.294 -0.035 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](NC(=O)O)C(C)C 736899860 KDIHCNGNYCEETI-SECBINFHSA-N 316.358 -0.269 50 20 DBGD CN1CCN(CC(=O)NNC(=O)c2ccccc2F)CC1=O 740881352 SKHZQWNYAZHASF-UHFFFAOYSA-N 308.313 -0.639 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@H]1CCCOC1 748619613 TXCOPQICQJSWGJ-WDEREUQCSA-N 303.359 -0.205 50 20 DBGD COC(=O)[C@@H](COC(C)C)N(C)CC(=O)NNC(=O)C1CC1 767115092 CCIYMMJRRNNSOP-LLVKDONJSA-N 315.370 -0.558 50 20 DBGD NC(=O)N[C@@H](CO)C(=O)NNc1ccc(C(F)(F)F)cn1 775254743 FNUKUCHLDXKCAK-LURJTMIESA-N 307.232 -0.427 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(F)c(F)c1 779846152 HTEUGTCSUROPPV-UHFFFAOYSA-N 323.277 -0.370 50 20 DBGD CNC(=O)NNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 784360025 MRQWMPYDCUJZKA-UHFFFAOYSA-N 314.305 -0.240 50 20 DBGD CC1CCN(C(=O)C(=O)NNC(=O)N=c2cc[nH]cc2)CC1 802027244 YHIFZECGPFKIHM-UHFFFAOYSA-N 305.338 -0.085 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(C(N)=O)c(Cl)n2)n[nH]1 807084640 NYLWYJOFGNMYSH-UHFFFAOYSA-N 322.712 -0.060 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](C(N)=O)c1ccccc1 825659932 CIWPORUAFDMWRP-ZMLRMANQSA-N 320.349 -0.032 50 20 DBGD COC(=O)CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F 826138359 QZFVMCBMTRIKHK-UHFFFAOYSA-N 321.272 -0.188 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cnn(C2CCC2)c1 828344063 MYRTVEDXMJKVDN-UHFFFAOYSA-N 305.338 -0.009 50 20 DBGD O=C(Cc1cnn2ccccc12)NNC(=O)C(=O)N1CCCC1 843780504 NGLAQKBZEIGJHC-UHFFFAOYSA-N 315.333 -0.353 50 20 DBGD C[C@H]1C(=O)N(C)CCN1C(=O)NNC(=O)c1cccc(F)n1 852710085 JPPHVOPJVKCVNZ-QMMMGPOBSA-N 309.301 -0.262 50 20 DBGD Cn1ncc(C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)n1 855833421 TUPANSURROPLNQ-UHFFFAOYSA-N 310.358 -0.481 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOc2ccccc2F)N1 858087772 KPUAQNWOXFBQAN-JTQLQIEISA-N 324.312 -0.187 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H](CO)c2ccccc2)N1 858696529 MSUVZLAGAUCPTH-GHMZBOCLSA-N 306.322 -0.671 50 20 DBGD C[C@@H]1NCC[C@H]1NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 861701235 OYRGYPQGPDDNBB-OIBJUYFYSA-N 323.309 -0.005 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862452025 IQZXMBUBXXSRIL-ZJUUUORDSA-N 310.354 -0.797 50 20 DBGD O=C(Cn1ncc2ccccc21)NNC(=O)[C@@H]1CCC(=O)N1 862456168 VQZYGZKIRPFRCG-JTQLQIEISA-N 301.306 -0.538 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 863466213 RKQGVBGGHABCQM-WDEREUQCSA-N 312.347 -0.312 50 20 DBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NN(C)C(=O)OC 875511138 PLBUXZFRXBCJFP-VHSXEESVSA-N 305.331 -0.281 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 910170590 MWLDSZZYWIMWEP-NWDGAFQWSA-N 306.366 -0.226 50 20 DBGD COC[C@@H]1COCCN1[C@H](C)C(=O)NNC(=O)CC(C)C 933329931 COYUFABPYYHLOY-VXGBXAGGSA-N 301.387 -0.084 50 20 DBGD Cc1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)no1 1115889806 AHGFAUZTRNVLEO-LLVKDONJSA-N 302.356 -0.136 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccon2)n1 1116618557 CDOJXYOITPLQLD-UHFFFAOYSA-N 306.282 -0.726 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)Cc2nc[nH]n2)n1 1116841072 VYMZMRKSRCHURY-UHFFFAOYSA-N 323.382 -0.608 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN2CCC[C@@H]2C1 1318093585 PMYBAJIUFITXPB-NWDGAFQWSA-N 323.397 -0.434 50 20 DBGD O=C(NCCc1nccs1)NNC(=O)C(=O)N1CCCC1 1318220797 GZZXCWMRUQTDRZ-UHFFFAOYSA-N 311.367 -0.362 50 20 DBGD CC(C)C(=O)NNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1320119604 DRQWJSUDQMJOPM-VIFPVBQESA-N 306.388 -0.746 50 20 DBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CC2CC2)cn1C 1320239221 GGLOEAQSCTUQAP-UHFFFAOYSA-N 322.321 -0.302 50 20 DBGD C[C@H]1CN(C2CCOCC2)CCN1CC(=O)NNC(=O)C1CC1 1320926893 QLGQTMCPLODMBC-LBPRGKRZSA-N 324.425 -0.271 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN(c2cnc(O)nc2N)CC1 1321603439 RHGRKWAACWAPRJ-MDZDMXLPSA-N 318.337 -0.143 50 20 DBGD CNC(=O)C1(C(=O)NNc2ccc(-n3ccnc3)nn2)CC1 1323774700 XUUYBWQCFBANHM-UHFFFAOYSA-N 301.310 -0.368 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(F)c1C(=O)OC 1325539365 KIDDFIGSFVJGMD-UHFFFAOYSA-N 313.241 -0.062 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CCC(=O)[C@@H]1C 1326880204 XGGPAHNAZYZGBS-VGMNWLOBSA-N 319.383 -0.923 50 20 DBGD O=C(NNC(=O)c1ncoc1-c1ccon1)C(=O)N1CCCC1 1347384905 FAUVLWXKEPBBKS-UHFFFAOYSA-N 319.277 -0.287 50 20 DBGD COC(=O)N1CCC(C(=O)NNc2nccn(C)c2=O)CC1 1347977877 JUIJDQYXBMUSRY-UHFFFAOYSA-N 309.326 -0.298 50 20 DBGD COCC[C@H](N)C(=O)NNC(=O)CSc1ccccc1O 1573977707 IEGKTMZDOKWANY-VIFPVBQESA-N 313.379 -0.005 50 20 DBGD COc1ccnc(NNC(=O)C2([S@@](C)=O)CCNCC2)n1 1579317287 POHDMXQDSMSFCN-OAQYLSRUSA-N 313.383 -0.571 50 20 DBGD Cc1csc(C(=O)NNC(=O)[C@H](C)N2CCNCC2=O)c1 1579832642 QLKXEPWSBNOJOW-VIFPVBQESA-N 310.379 -0.362 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)C(=O)O1 1590199438 KHUFRNCUYQTUDR-XPUUQOCRSA-N 318.297 -0.408 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)O[C@H]2CCN(CC(=O)O)C2=O)cn1 1594539095 UGVRWSKAOKGUBZ-INJWIWPUSA-N 318.289 -0.444 50 20 DBGD COC(=O)[C@@H](CCC(=O)O)NS(=O)(=O)CBr 1598893254 LGDYSXDOVGTTAE-RXMQYKEDSA-N 318.145 -0.335 50 20 DBGD O=C(O)c1cc(F)cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 1602271655 AVGZYCSXCYFLKG-QMMMGPOBSA-N 317.103 -0.239 50 20 DBGD O=C(N[C@H](C(=O)O)c1ccc(O)cc1)c1cccc(B(O)O)c1 1608385879 JAQDWPVZBLOOGX-ZDUSSCGKSA-N 315.090 -0.372 50 20 DBGD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796371244 TWZXYCBMKCUINE-SPFKKGSWSA-N 308.737 -0.509 50 20 DBGD CO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847562818 ADYWJLSZLUEIKC-NAKRPEOUSA-N 304.774 -0.177 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 45457903 BZXALQJQLRNTNG-UHFFFAOYSA-N 324.293 -0.354 50 20 DBGD O=C(CN1CCN(c2ccccn2)CC1)NNC(=O)C1CC1 112975572 QZHPAYZDNHWLOX-UHFFFAOYSA-N 303.366 -0.239 50 20 DBGD CC[C@H](COC)NC(=O)NNC(=O)CNC(=O)c1ccco1 265837409 SZJSPOSQBUFFKM-SECBINFHSA-N 312.326 -0.235 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNc1ccc(C(N)=O)nn1 268268132 SEENNRPKZHIAKV-QMMMGPOBSA-N 320.353 -0.287 50 20 DBGD Cc1cc(C)nc(NNC(=O)NCCNC(=O)c2ccn[nH]2)n1 272449672 BGKFBKDVQYMBEV-UHFFFAOYSA-N 318.341 -0.127 50 20 DBGD CCNC(=O)C1(NC(=O)c2ccc(B(O)O)cc2)CCCCC1 584930929 UWCDYHTYMFSCHV-UHFFFAOYSA-N 318.182 -0.065 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)NC1CCCC1 584934526 QFYYFJWLLUHJBT-SECBINFHSA-N 322.145 -0.317 50 20 DBGD CN(CC(=O)NCB(O)O)S(=O)(=O)c1ccc(Cl)cc1 585056666 SWTOVQGCWWZWDV-UHFFFAOYSA-N 320.563 -0.911 50 20 DBGD Cc1cc(OCC(=O)NNC(=O)CNC(=O)c2ccco2)no1 725906148 PVYLBCBWNXFJCQ-UHFFFAOYSA-N 322.277 -0.468 50 20 DBGD O=C(NN=Cc1ccc(O)c(O)c1O)[C@H]1CCS(=O)(=O)C1 730575374 BSERCGMGHXQADC-QMMMGPOBSA-N 314.319 -0.312 50 20 DBGD CC[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N(CC)CC 735996366 WRAHRWJYFGJEGX-MNOVXSKESA-N 319.427 -0.311 50 20 DBGD CCNC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 736575439 FOZQJYLCNBGULF-UHFFFAOYSA-N 304.314 -0.371 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@H](C)CN1CCN(C)CC1 745863188 SBBPUZQHNSABRZ-LBPRGKRZSA-N 315.418 -0.763 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H]2CCCN(C)C2=O)n1 748663458 LZXCRLVCNMFFDL-NSHDSACASA-N 322.369 -0.549 50 20 DBGD CCOC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)CO 764420207 AUVLWOJOSKLRTF-UHFFFAOYSA-N 315.307 -0.997 50 20 DBGD CC(=O)NN=C1NC(=O)[C@H](CC(=O)NCC(F)(F)F)S1 777610994 UZHGMVFPWQRUCT-YFKPBYRVSA-N 312.273 -0.306 50 20 DBGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NN(C)C(N)=O 778412222 LYPHMIKQVPXVEG-ZETCQYMHSA-N 313.318 -0.131 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)COCc1ccnn1C 792489233 NZZFXBVSYVUWIN-VIFPVBQESA-N 312.326 -0.574 50 20 DBGD C[C@@]1(NNC(=O)NCCC2(O)CCC2)CCS(=O)(=O)C1 807265645 KTENVIVFZXAFEQ-LLVKDONJSA-N 305.400 -0.328 50 20 DBGD CN(C)c1noc(CNC(=O)NNC(=O)c2ccccc2O)n1 812220234 CYZVVMYHOFBDJM-UHFFFAOYSA-N 320.309 -0.015 50 20 DBGD CCCCNC(=O)NNC(=O)Cc1noc(C)c1-c1nn[nH]n1 825291092 MDNNLMAPLIGKQU-UHFFFAOYSA-N 322.329 -0.164 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CNC(=O)NCc1ccco1 843973912 MJKVQKGUCAXYNZ-ONGXEEELSA-N 324.337 -0.349 50 20 DBGD O=C(NNc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)N1 846044108 HNGFZPIZWQYXDK-QMMMGPOBSA-N 318.286 -0.131 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 855095998 ROYNZKKXVWTGDG-WPRPVWTQSA-N 323.426 -0.081 50 20 DBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cc[nH]n2)C1=O 855362739 UJNQOPIWGGALIV-UHFFFAOYSA-N 322.325 -0.719 50 20 DBGD COC[C@@](C)(O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855831949 NVCAKZJKSZWNFG-CQSZACIVSA-N 317.386 -0.526 50 20 DBGD CCOCC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858463561 STQITXSDLPHPHV-VIFPVBQESA-N 300.359 -0.342 50 20 DBGD C[C@@H]1SCCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)[C@@H]1C 858695866 GNENCCFMRUYHQH-HRDYMLBCSA-N 300.384 -0.168 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ccc([N+](=O)[O-])cc2)C1=O 860311777 AWUPTDYXVTWWBQ-UHFFFAOYSA-N 307.266 -0.068 50 20 DBGD Cc1cccc(NNC(=O)C2CCN(S(N)(=O)=O)CC2)n1 862523892 BIGCMKGAIIJVEZ-UHFFFAOYSA-N 313.383 -0.251 50 20 DBGD CCO[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863460240 POAMHZMNXSNYDW-GFCCVEGCSA-N 314.363 -0.044 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@H](C2OCCO2)C1 863871882 FOUNCSTWBIECKP-LBPRGKRZSA-N 305.139 -0.409 50 20 DBGD COC(=O)Cn1ncc(NCc2ccc(B(O)O)cc2)c1C 863891694 XMTSKXVGZOCOOA-UHFFFAOYSA-N 303.127 -0.344 50 20 DBGD CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)o1 864230898 GHRDKYFOCGBOJN-QMMMGPOBSA-N 317.128 -0.306 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNc2ccc(C#N)cn2)C1 888251472 LPXOGXDTUFEIMV-GFCCVEGCSA-N 303.370 -0.175 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2OCCN(C)C2=O)cc1 899946814 JLKSYLHXVDNCLF-CYBMUJFWSA-N 321.333 -0.622 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)CN2CCCC2=O)cc1 919653733 ADWQUCJWLNWLBO-UHFFFAOYSA-N 321.333 -0.156 50 20 DBGD COCCCNC(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 920862222 SNUIQZIIKOMXFG-GFCCVEGCSA-N 316.383 -0.581 50 20 DBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)C(=O)NC1CC1 1115914453 AHPQSCOJTPQUDI-SSDOTTSWSA-N 307.354 -0.434 50 20 DBGD CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)OC)C1 1116210309 DQTWHTPYVPXFOM-HORACTTISA-N 319.383 -0.430 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1 1254905468 OGHOYMSBQHWIFX-UHFFFAOYSA-N 324.293 -0.403 50 20 DBGD CCOC1CC(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C1 1255666385 YWAOMHHCEOXSBW-IDKOKCKLSA-N 321.399 -0.723 50 20 DBGD C[C@@H](C(=O)NNC(=O)CO)c1ccc(S(C)(=O)=O)cc1 1320086357 LXORUMJJUZVMNS-MRVPVSSYSA-N 300.336 -0.667 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccn2c(O)nnc12 1320132660 KRRGPVVIDJOMNS-UHFFFAOYSA-N 301.266 -0.838 50 20 DBGD COCC(C)(C)N1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1331536861 LKNVTLSCXIRQMC-UHFFFAOYSA-N 324.385 -0.193 50 20 DBGD O=C(CN1C(=O)CCC1=O)NNc1nc(-c2cccnc2)no1 1347433953 UPJWBEFAXBOLMI-UHFFFAOYSA-N 316.277 -0.276 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@H]1CC(C(=O)O)=NO1 1574404511 QZFWYHQOJBOILJ-LLVKDONJSA-N 305.290 -0.086 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 1588662921 DBLVKCMLNYJCHK-UHFFFAOYSA-N 319.350 -0.133 50 20 DBGD O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1F 1593156446 UPHXXDFNWKLXKW-SNVBAGLBSA-N 320.284 -0.054 50 20 DBGD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1598120171 WQJYQXYPWYNTCU-HTQZYQBOSA-N 300.315 -0.952 50 20 DBGD C[C@H](CN(C)Cc1ccccc1)NC(=O)NNC(=O)C(=O)O 1599890810 GMQDAZVFEBDBTF-SNVBAGLBSA-N 308.338 -0.078 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1C(=O)O 1600960143 JIZWUPSMDNVNBZ-UHFFFAOYSA-N 322.321 -0.001 50 20 DBGD O=C(NNS(=O)(=O)CC1(C(=O)O)CCCC1)c1cn[nH]c1 1601557766 SAJFXPLACKRRPP-UHFFFAOYSA-N 316.339 -0.381 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[nH]n1 119876604 HIOQOECMZPQRHF-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD CCNC(=O)NNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 122936015 UJTLAJZODVAZKO-UHFFFAOYSA-N 303.326 -0.001 50 20 DBGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NN)ccc21 181294525 KBWMDVBHOZNNFD-UHFFFAOYSA-N 320.353 -0.054 50 20 DBGD NC(=O)[C@@H]1CCCCN1CC(=O)NNC(=O)c1ccccc1 192845237 IZAKJYAIHWCOGM-LBPRGKRZSA-N 304.350 -0.213 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1ccc(Cl)nc1 266791504 LKOKBFCGDPDVIY-UHFFFAOYSA-N 312.717 -0.087 50 20 DBGD O=C(NNC(=O)C1(O)CCCC1)c1ccc(-n2cnnn2)cc1 267904661 AATUMJHZISQDKT-UHFFFAOYSA-N 316.321 -0.272 50 20 DBGD COc1cc(C)nc(NNC(=O)CNC(=O)[C@@H](N)C(C)C)n1 271119078 GQACGHKMWBMRSN-NSHDSACASA-N 310.358 -0.664 50 20 DBGD CSCCNC(=S)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 271469967 UQPZQSUESIHTKN-UHFFFAOYSA-N 304.357 -0.210 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 272551570 YXZFNBPYGCJFFH-ZJUUUORDSA-N 324.362 -0.007 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1ccc2ccccc2c1=O 279158626 DKTGEWDVWLRQLN-UHFFFAOYSA-N 303.318 -0.080 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C=O)cc1 285238819 YJQMPQMZLMCXOP-SNVBAGLBSA-N 321.333 -0.062 50 20 DBGD COC(=O)N(C)NC(=O)c1cc(S(N)(=O)=O)cnc1C 497192530 HAQDDUDZGULHLA-UHFFFAOYSA-N 302.312 -0.620 50 20 DBGD C[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)NC(C)(C)C 584934392 RPUGXITVYOUTRH-QMMMGPOBSA-N 310.134 -0.462 50 20 DBGD O=C(NCCCOC[C@H]1CCOC1)c1ccc(B(O)O)cc1 584950424 MFNISUGQHMKBDG-GFCCVEGCSA-N 307.155 -0.461 50 20 DBGD CCN(C)C[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584955173 RYXILCOPHJBBCF-LLVKDONJSA-N 308.162 -0.081 50 20 DBGD COC1CCN(CCNC(=O)c2ccc(B(O)O)cc2)CC1 584961682 ZTRNFXAJGNEGEO-UHFFFAOYSA-N 306.171 -0.793 50 20 DBGD CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(B(O)O)c(F)c1 584963357 SDHJJWFKBKUOBL-CPCISQLKSA-N 301.148 -0.652 50 20 DBGD C[C@@](O)(CNC(=O)c1ccc(B(O)O)c(F)c1)C(F)(F)F 584968405 XCSKXHXWOHRZDT-SNVBAGLBSA-N 309.024 -0.451 50 20 DBGD O=C(NCC1(N2CCOCC2)CC1)c1cc(B(O)O)ccc1F 584983011 OMKXXNWVWSBLKQ-UHFFFAOYSA-N 322.145 -0.900 50 20 DBGD C[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)CCN(C2CC2)C1 584994664 MONMXACFESHORX-LBPRGKRZSA-N 302.183 -0.077 50 20 DBGD C[C@H]1CS(=O)(=O)CCN1CC(=O)NNC(=O)C(C)(C)C 744404355 ORVXRMSXJYSTRC-VIFPVBQESA-N 305.400 -0.701 50 20 DBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)NC(C)C 745139248 DXPQKJUICDUBHW-UHFFFAOYSA-N 318.355 -0.104 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccc(C#N)cc2)C1=O 748106195 KRJNAMCBUOHHDE-UHFFFAOYSA-N 301.262 -0.578 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNC(=O)C(C)C 748614636 JZHCQJJWKYNPFI-JTQLQIEISA-N 318.374 -0.860 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)oc1C 754750065 KNBPFJCFRCBBSN-UHFFFAOYSA-N 305.312 -0.113 50 20 DBGD COc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764202733 AJJBUQYLIIADPE-UHFFFAOYSA-N 312.301 -0.518 50 20 DBGD CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)CO 764428620 ILIGWPGQYGZIOO-UHFFFAOYSA-N 309.322 -0.138 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])cn1 771971651 BSRYRJCDCDCMCS-SSDOTTSWSA-N 313.270 -0.720 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCNC(=O)C1 772189006 WXPPETVWVCIWLY-UWVGGRQHSA-N 313.354 -0.362 50 20 DBGD COc1cccc(NNC(=O)NCCNC(=O)c2cc[nH]n2)n1 780042530 DQOFWPIFUZCCOM-UHFFFAOYSA-N 319.325 -0.131 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cnnn1-c1cccc(F)c1 790043024 PUTJPXVJODBZIS-UHFFFAOYSA-N 307.285 -0.062 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CNC(=O)c2ccncc2)n1 794081290 AZUSWCQYKUXPHK-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 810112343 QXOOYNGXJDUGHX-GUBZILKMSA-N 305.400 -0.560 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)C(=O)N2CCCC2)n1C 814824834 MPRRKUWWTNIIRH-UHFFFAOYSA-N 306.322 -0.116 50 20 DBGD CCN(CCO)NC(=O)CNc1ccc(S(C)(=O)=O)cc1 823893538 MTLKJFITRWPKNZ-UHFFFAOYSA-N 315.395 -0.153 50 20 DBGD CCOCCOCCCC(=O)NNC(=O)N1CCOCC1 824621640 URPJLMYYOFTJQR-UHFFFAOYSA-N 303.359 -0.107 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1NC(=O)O[C@@H]1C 841378076 WQEITKPQYUHQLX-SCZZXKLOSA-N 317.305 -0.099 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cccc(OCC(N)=O)c1 843645639 NNPOYEVVNGOPBX-JOYOIKCWSA-N 321.333 -0.263 50 20 DBGD C#CCN1CCC[C@H]1C(=O)NN(C)C(=S)NCCCOC 854281273 SJCWRAHFNMOAOV-LBPRGKRZSA-N 312.439 -0.042 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)[C@H]2CCCC[C@H]2N1 854292020 VYEAWOIOUGGFDR-OUAUKWLOSA-N 322.365 -0.893 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(Cl)n1)S(C)(=O)=O 857326355 VVAAKBZJRMMCDX-UHFFFAOYSA-N 320.758 -0.613 50 20 DBGD CC(C)C(CS(=O)(=O)N(C)C)=NNC(=O)[C@@H]1CCC(=O)N1 863150446 UTMPMDLSYBQASA-VIFPVBQESA-N 318.399 -0.715 50 20 DBGD COC(=O)C1CCN(C(=O)COc2ccc(B(O)O)cc2)CC1 863865399 DHCJVGBRWZPHFV-UHFFFAOYSA-N 321.138 -0.843 50 20 DBGD COC(=O)C[C@H]1CSCCN1C(=O)c1cccc(B(O)O)c1 863874009 NEJCRMPEPSXYJU-LBPRGKRZSA-N 323.179 -0.513 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1nn(C)cc1Br 879966779 XGPJWLOVLNDJRN-UHFFFAOYSA-N 319.163 -0.103 50 20 DBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1CC(=O)N(C2CC2)C1 883498507 QDUXZIJENKPSML-JTQLQIEISA-N 310.354 -0.493 50 20 DBGD CCN(CCO)NC(=O)c1cccn1CCN1CCOCC1 911443772 MSXJHMZKOCXVBC-UHFFFAOYSA-N 310.398 -0.221 50 20 DBGD CC(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1F 912694177 VELRBCQVDYJEJD-UHFFFAOYSA-N 303.315 -0.339 50 20 DBGD C[C@@]1(C(=O)NNC(=O)CS(C)(=O)=O)C[C@@H]1Br 913242427 FHEPPNPKBMDSDI-YLWLKBPMSA-N 313.173 -0.648 50 20 DBGD CN(CC(=O)NNC(=O)NC1CCCCC1)S(C)(=O)=O 914748712 ALHIVFOGIROHDI-UHFFFAOYSA-N 306.388 -0.459 50 20 DBGD COC[C@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 933331421 DIBLJHYDGVZWFH-ZDUSSCGKSA-N 307.350 -0.205 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CC[C@H]2NC(=O)NC2=O)n1 1118713050 VMYITIKDKUAWPE-ZCFIWIBFSA-N 312.717 -0.130 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 1118799749 WCRAVPDXZLDCOO-MNOVXSKESA-N 307.306 -0.511 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCc2cnc3n2CCCC3)N1 1261790358 JFAHAPMNSXFDIG-SNVBAGLBSA-N 320.353 -0.672 50 20 DBGD Cn1ccnc(NNC(=O)c2cc3nn[nH]c3cc2F)c1=O 1320516929 WSOFVEQPRAMREU-UHFFFAOYSA-N 303.257 -0.052 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NCCn2cnc(C#N)n2)o1 1322727753 LQZFPMHVRPHZMW-UHFFFAOYSA-N 303.282 -0.305 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCc2nncn2C1 1326275224 SIHBARZJRZTUAV-LLVKDONJSA-N 300.322 -0.374 50 20 DBGD CC(C)NC(=O)CNC(=O)NNc1nncc(N)c1Cl 1340528107 NXJLEPIIEKCCAC-UHFFFAOYSA-N 301.738 -0.137 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(C(=O)OC)CC1 1340784809 AFVPRJOTPJAPOX-JTQLQIEISA-N 300.359 -0.294 50 20 DBGD O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(B(O)O)ccc1F)C2 1601786357 GRSCLZKLZYTZDR-XTWCZFFVSA-N 321.113 -0.169 50 20 DBGD C[C@H](C(=O)NNc1ccc(C(=O)O)cn1)n1cnc(C#N)n1 1603173980 XIRPITNDSWJPIO-SSDOTTSWSA-N 301.266 -0.053 50 20 DBGD O=C(O)CCS(=O)(=O)NNC(=O)CCc1ccccc1O 1608733019 XKAWQUZQRQJOAT-UHFFFAOYSA-N 316.335 -0.250 50 20 DBGD O=C([C@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCOC1 1847568569 YVBLOFDRXUJFCH-FIQHERPVSA-N 316.785 -0.176 50 20 DBGD Cc1cc(C)nc(NNC(=O)c2cc(S(N)(=O)=O)cn2C)n1 22235916 ABCRYMRMGYCNNX-UHFFFAOYSA-N 324.366 -0.164 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(CC)C1 265847369 COHLXGZSOJCSJW-SECBINFHSA-N 312.370 -0.693 50 20 DBGD CN(NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(N)=O 271357659 MQTBCLGUROIEIW-UHFFFAOYSA-N 318.330 -0.464 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(C)c1 274099033 WFTOYNXDOXOVOR-UHFFFAOYSA-N 308.338 -0.349 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CC(=O)NNC(=O)N1CCOCC1 299363306 JJQCVYSWBFKSSI-UHFFFAOYSA-N 312.286 -0.827 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n[nH]1 362236896 GUOVBARBEPIZCF-QMMMGPOBSA-N 317.309 -0.745 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CN2CCCN1CC2 367020683 NSJPWIRIUXCZKW-CYBMUJFWSA-N 303.366 -0.839 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 367507273 KJLWQDFDOPFQNI-MRVPVSSYSA-N 312.326 -0.031 50 20 DBGD COC(=O)NCCC(=O)NNC(=O)c1ccc2c(c1)OCO2 491273218 LCJWBDDBDHLYQC-UHFFFAOYSA-N 309.278 -0.078 50 20 DBGD CCOC(=O)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 497228468 RZPKZAOQTORFQO-UHFFFAOYSA-N 306.278 -0.241 50 20 DBGD CCNC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCCCC1 584930658 PLWGHHPXSWWVLM-UHFFFAOYSA-N 318.182 -0.065 50 20 DBGD O=C(NC[C@H](CO)Cc1ccco1)c1ccc(B(O)O)cc1 584931477 WMPXFZPFHBLPCH-LLVKDONJSA-N 303.123 -0.460 50 20 DBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)NC1CCCC1 584933648 GROJILLSADNSSR-SNVBAGLBSA-N 304.155 -0.457 50 20 DBGD CC[C@@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@H](C)[S@]1=O 584988376 MKBUPWGPQBVJKZ-BHIGOGECSA-N 309.196 -0.262 50 20 DBGD COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(B(O)O)c(F)c1 584995854 WWVABCABIHLCND-WDEREUQCSA-N 311.118 -0.619 50 20 DBGD CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 585058898 SSBNEHBOWWRNDO-JTQLQIEISA-N 301.177 -0.224 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 728449874 OOISSLCFMRSHAT-NKWVEPMBSA-N 308.429 -0.782 50 20 DBGD C#Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)nc1 728821456 HEGJAGPJYKVFJC-UHFFFAOYSA-N 312.285 -0.153 50 20 DBGD O=C(CCNS(=O)(=O)c1cccnc1)NNc1cnccn1 734245061 FTHFJBIIHVITJF-UHFFFAOYSA-N 322.350 -0.317 50 20 DBGD O=C(Cc1cc(O)nc(O)n1)NN=Cc1cccc(O)c1O 743445477 WIDGOIMHGMOYSO-UHFFFAOYSA-N 304.262 -0.008 50 20 DBGD Cn1nc(SCC(=O)NN=Cc2cc[nH]c2)c(=O)n(C)c1=O 745201111 MSMXCDWMKBJHRF-UHFFFAOYSA-N 322.350 -0.951 50 20 DBGD Cc1cnc(CNC(=O)NNC(=O)C(=O)N2CCCC2)s1 745877458 XIYJWMWJTQFPEY-UHFFFAOYSA-N 311.367 -0.096 50 20 DBGD C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1CCSCC1 750854077 KJDCTGKAQBUJIG-SNVBAGLBSA-N 314.411 -0.807 50 20 DBGD CCN(CCS(C)(=O)=O)CC(=O)NNC(=O)C(C)(C)C 753204278 XETQNSVRTDRTQB-UHFFFAOYSA-N 307.416 -0.454 50 20 DBGD COC[C@@](C)(O)C(=O)NNc1nc2ccccc2c(=O)n1C 755008470 NEMUJHXOIVQUHS-CQSZACIVSA-N 306.322 -0.226 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@@](C)(O)COC)nc1C 778427753 FHRIUPVOWLUTAH-ZDUSSCGKSA-N 312.326 -0.198 50 20 DBGD COCCCNC(=O)NNC(=O)c1cn(CCOC)nc1C 782553236 ZXVWGEQKHMLDJR-UHFFFAOYSA-N 313.358 -0.182 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNC(=O)Nc2ccccc2)c1=O 801990337 FJPUFWKDHXMYJI-UHFFFAOYSA-N 317.305 -0.600 50 20 DBGD CN(C)CC(=O)NNC(=O)c1[nH]cnc1C(=O)c1ccccc1 806772157 MFWYADSQVLXDQQ-UHFFFAOYSA-N 315.333 -0.037 50 20 DBGD CCN(CCO)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 823897662 IIZSQYYBGBIJFW-JGVFFNPUSA-N 318.317 -0.445 50 20 DBGD CC1=NO[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 825274836 YWMZIXBLMSXOFP-MRVPVSSYSA-N 310.335 -0.210 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(C)(C)C1CCC1 825732458 VUNZWBHARZBVHR-MRVPVSSYSA-N 305.400 -0.102 50 20 DBGD CS(=O)(=O)CC(=O)NNc1ncc(Br)cn1 848320752 WCZRFUUUYBAYSQ-UHFFFAOYSA-N 309.145 -0.273 50 20 DBGD COc1nc(C)ccc1C(=O)NNC(=O)CS(C)(=O)=O 863463993 CADAASFPANJJJE-UHFFFAOYSA-N 301.324 -0.796 50 20 DBGD COc1nn(C)cc1C(=O)NNC(=S)NCCSC 883966134 AZFQQHBPFDZGRN-UHFFFAOYSA-N 303.413 -0.099 50 20 DBGD O=C(NNC(=O)C1CN([C@@H]2CCOC2)C1)c1ccccc1O 895522153 NGAICGSPHGVOPI-LLVKDONJSA-N 305.334 -0.126 50 20 DBGD Cc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 901249642 FCMVIOGFWBYFLO-NSHDSACASA-N 315.333 -0.229 50 20 DBGD C[C@H](CNC(=O)NNc1nncc(N)c1Cl)S(C)(=O)=O 1116376464 BLNHOOQKRFOGHK-RXMQYKEDSA-N 322.778 -0.229 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCOC3(CCC3)C2)N1 1118810511 JIDXSWWWNBRNDC-VHSXEESVSA-N 310.354 -0.303 50 20 DBGD COCCOCCCNC(=O)NNC(=O)C1CCOCC1 1262031045 FQQJWAIDOPPINV-UHFFFAOYSA-N 303.359 -0.204 50 20 DBGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)CC2 1318625636 FTJLSAFNBHLXDD-JTQLQIEISA-N 318.341 -0.721 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)n1cccc1 1320264236 URUAOTVZCGIRON-DTWKUNHWSA-N 302.356 -0.866 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(-c2ccoc2)n1 1320977302 LVQFSRFAKWFKHU-UHFFFAOYSA-N 317.305 -0.280 50 20 DBGD Cc1nn(C)c(C)c1CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331877584 IDZFLAWOKRRQON-LLVKDONJSA-N 307.354 -0.604 50 20 DBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@H]2CCCCN2C1=O 1353044756 RKWUGWYLNCHTNP-NEPJUHHUSA-N 324.381 -0.103 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)NCc1ccco1 1520831214 YSFPVXJPJYXNOK-ZYHUDNBSSA-N 307.354 -0.502 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)CN1C(=O)CCC1=O 1527942881 CCTOIDBQQRWAOU-UHFFFAOYSA-N 303.318 -0.084 50 20 DBGD C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCC(=O)N1 1588998469 BAXCRHBJBMGZRH-IONNQARKSA-N 316.325 -0.381 50 20 DBGD CC(=NNC(=O)C(=O)O)c1cccc(S(=O)(=O)N(C)C)c1 1589011321 UXKKOSCQOWZNMD-UHFFFAOYSA-N 313.335 -0.138 50 20 DBGD CC(=O)N[C@@H](CC(=O)NNc1ccccc1C(=O)O)C(N)=O 1589152550 ATNRZMDIKPJQFG-JTQLQIEISA-N 308.294 -0.792 50 20 DBGD CC(C)(C)c1nsc(NC(=O)C(=O)NNC(=O)C(=O)O)n1 1609672144 OEXDREFHDWDUNF-UHFFFAOYSA-N 315.311 -0.994 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2cnccn2)C1 1842382309 QESNIDSHFCLDCW-NSHDSACASA-N 324.768 -0.107 50 20 DBGD CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 55617252 CYPWBJOGTAKPPZ-QMMMGPOBSA-N 316.383 -0.260 50 20 DBGD CCN(CC)CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 111544317 OTWBMXMTTORIQO-CHWSQXEVSA-N 314.430 -0.025 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)cc(F)c1 126424760 AFQSKJBZRKIQTN-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)C1CN(C(C)=O)C1 276575756 IXYZJIFJCUIZND-UHFFFAOYSA-N 320.349 -0.267 50 20 DBGD COCCN(CCO)CC(=O)NNC(=O)c1ccc(F)cc1 298253440 UKBKRFCMIZFSMM-UHFFFAOYSA-N 313.329 -0.473 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 298376667 XGMAVCVTAJYDRM-VIFPVBQESA-N 306.278 -0.166 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 368167782 NLCBDJRQJMRAPZ-SSDOTTSWSA-N 313.260 -0.543 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)[C@H](C)n1cncn1 584942737 CWUYOXOBWMCBEC-IUCAKERBSA-N 306.106 -0.524 50 20 DBGD C[C@@H](NC(=O)c1cccc(B(O)O)c1)C(=O)N1CCCC[C@H]1C 584944508 BDJROUWAKUYEHQ-VXGBXAGGSA-N 318.182 -0.114 50 20 DBGD O=C(NCCCNC(=O)C1CCC1)c1cc(B(O)O)ccc1F 584961485 SCRVMXGRDOHTSK-UHFFFAOYSA-N 322.145 -0.458 50 20 DBGD CCO[C@H]1C[C@@](CO)(NC(=O)c2ccc(B(O)O)cc2)C1(C)C 584979287 PMMDLXPUFGXZLY-BBRMVZONSA-N 321.182 -0.338 50 20 DBGD COCCO[C@@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 584986658 JGUKWUQUXPCUPG-CQSZACIVSA-N 307.155 -0.366 50 20 DBGD O=C1CC[C@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C2CC2)N1 584986786 AZATUHJRTJBZQT-GXTWGEPZSA-N 320.129 -0.708 50 20 DBGD CN(C)CCN1CCC(CNCc2cccc(B(O)O)c2)CC1 585021858 DXIXJVLEFBPEAE-UHFFFAOYSA-N 319.258 -0.270 50 20 DBGD CN(C)CC(=O)NNC(=O)CN1C(=O)COc2ccccc21 727365746 AKAWWQZIMLDPCY-UHFFFAOYSA-N 306.322 -0.879 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(CNC(N)=O)cc1 732084671 WEVJMPJDEXCTCQ-UHFFFAOYSA-N 316.321 -0.039 50 20 DBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CCC1 732143086 QVOZHNBCGQDBTK-JTQLQIEISA-N 303.384 -0.252 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2COCCO2)C[C@@H](C)O1 732259535 GQRPMXYOKFZHDL-TUAOUCFPSA-N 315.370 -0.952 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1C[C@H](O)C[C@H]1C(=O)O 736402694 WYNDQPGXUXZLLG-BBBLOLIVSA-N 301.343 -0.912 50 20 DBGD COC(=O)[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCO1 744394887 LZJJLAFVUQFLGL-SECBINFHSA-N 301.343 -0.946 50 20 DBGD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NNC(=O)CO 753445065 FKEFFIHUJDQISU-UHFFFAOYSA-N 305.338 -0.424 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1C[C@@H](C)N(C2CC2)C1 753959959 NEYLUUMVJKBRBK-RKDXNWHRSA-N 302.400 -0.347 50 20 DBGD CC[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCO1 758036458 RWPBQYPVYYYWSF-OPRDCNLKSA-N 321.399 -0.723 50 20 DBGD CNc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cs1 762175896 DCFTXMYBABIAGP-ZCFIWIBFSA-N 318.380 -0.620 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccnc1OCC 764326103 ZWPUUSHFSQDBPB-UHFFFAOYSA-N 310.310 -0.397 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@]1(OC)CCOC1 764805363 RTNKAYCCGZLAEP-GXFFZTMASA-N 319.358 -0.826 50 20 DBGD CCc1nn(C)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 770729852 NAAOPJMTKFSBAO-UHFFFAOYSA-N 319.321 -0.234 50 20 DBGD COCc1nn(CC(=O)NNC(=O)c2ccc(F)cc2)c(=O)o1 776846809 GUGPDCJSMVMZGO-UHFFFAOYSA-N 324.268 -0.417 50 20 DBGD C[S@](=O)CCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778670900 VHWPTHRHEWQFLU-NRFANRHFSA-N 322.387 -0.780 50 20 DBGD CCCNS(=O)(=O)NNC(=O)COc1ccccc1O 813665682 UHUXSHYQLHUMOV-UHFFFAOYSA-N 303.340 -0.364 50 20 DBGD O=C(Cc1ccccc1F)NNC(=O)C1=NN2CCCN=C2N1 826936616 AUIDWCUIHRUXSI-UHFFFAOYSA-N 318.312 -0.506 50 20 DBGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NN)CCCC1 843450510 GQLCRHSBEABHIT-UHFFFAOYSA-N 302.356 -0.128 50 20 DBGD COc1nccnc1NNC(=O)[C@H]1CCc2nnnn2CC1 846262037 WSJXMANLWJEYPQ-QMMMGPOBSA-N 304.314 -0.433 50 20 DBGD CN1CC(=O)N(CC(=O)NNC(=O)OCC(F)(F)F)C1=O 856025658 ZJSOFRAAYDCKON-UHFFFAOYSA-N 312.204 -0.800 50 20 DBGD Cc1cccnc1CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858514972 YKLGHXBTLVQUHB-LBPRGKRZSA-N 319.365 -0.068 50 20 DBGD CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858538657 OZMYUUPCHPMWHA-HNXYLICVSA-N 312.370 -0.201 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCC[C@H]2[C@H]2CCCOC2)N1 858702285 GQBYHQIPPHYTIJ-TUAOUCFPSA-N 324.381 -0.103 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 859440596 NTMNYZQUGGHMEW-QPUJVOFHSA-N 307.306 -0.502 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)NC[C@H]1COCCN1 861682043 OBQHSFPCUOFOGR-ZDUSSCGKSA-N 322.365 -0.478 50 20 DBGD Cc1csc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)c1 861949257 KPHRQJBVCMTPBH-UHFFFAOYSA-N 312.351 -0.978 50 20 DBGD COCc1cccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862461015 KLBNWBCJURVKSW-LBPRGKRZSA-N 305.334 -0.199 50 20 DBGD Cc1csc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)N2)c1 862479933 HFXBBNDQSQRHCN-ZETCQYMHSA-N 303.365 -0.491 50 20 DBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CS(C)(=O)=O)c1 863457912 PNEQXSOWBTZRNS-SNVBAGLBSA-N 314.363 -0.046 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CS(C)(=O)=O)c(C)c1 863458912 HXVLCBOXVYWHLO-UHFFFAOYSA-N 314.363 -0.126 50 20 DBGD O=S(=O)(CCCCl)N1CCN(Cc2nc[nH]n2)CC1 882322713 QNTNOEVDOKVXDN-UHFFFAOYSA-N 307.807 -0.119 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=S)NCC2CCC2)C1=O 912109583 GWVBBDRPSPBAJQ-SECBINFHSA-N 300.384 -0.861 50 20 DBGD O=C(CCCN1C(=O)CCC1=O)NNC(=O)c1ccncc1 915635670 IXYIMOUCCWCQKC-UHFFFAOYSA-N 304.306 -0.228 50 20 DBGD CCN1CCC[C@H](NC(=O)NNC(=O)[C@H]2CCCCO2)C1=O 925982324 JBQWGIZCDJLOPD-WDEREUQCSA-N 312.370 -0.103 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)NNc2cnnn2C)c1 1117724101 UFPQGVGFKWHEJK-UHFFFAOYSA-N 310.339 -0.520 50 20 DBGD Cn1ccnc(NNC(=O)CCNC(=O)c2ccco2)c1=O 1319352451 DQFSKBKWPZIQLM-UHFFFAOYSA-N 305.294 -0.364 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCCN2CCC[C@H]2C1 1329323907 UTAFYGOEWZPFFG-LBPRGKRZSA-N 306.146 -0.184 50 20 DBGD CN(C)c1nccc(CNC(=O)NNC(=O)c2cn[nH]c2)n1 1331535417 ZPUHYLOMGCTCDY-UHFFFAOYSA-N 304.314 -0.590 50 20 DBGD CCOCCO[C@@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1337848455 JSURTZXMVLJZQD-UWVGGRQHSA-N 322.383 -0.990 50 20 DBGD CCc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)co1 1342952447 UXXNVXHANOSEDP-ZETCQYMHSA-N 301.324 -0.567 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CC(N2CCCC2=O)C1 1521622926 NBWSCRPPVCTFOV-GXSJLCMTSA-N 310.354 -0.541 50 20 DBGD COC(=O)N(C)NC(=O)COc1ccccc1-c1nn[nH]n1 1591272545 KRXYYXXZZJILJW-UHFFFAOYSA-N 306.282 -0.025 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(-c2nn[nH]n2)o1 1593157849 HKJMGZFLKMHIFE-BWZBUEFSSA-N 318.293 -0.212 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 1593804856 VYXTZJDVOHIRDK-UWVGGRQHSA-N 321.289 -0.197 50 20 DBGD COc1ccc(C(=O)NNC(=O)COCC(=O)O)cc1OC 1594078534 HBGJTNXLDMWGNP-UHFFFAOYSA-N 312.278 -0.434 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ccc(CC(=O)O)cc1 1603041888 AJLDKSKVUMOLFP-UHFFFAOYSA-N 322.321 -0.991 50 20 DBGD CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1603428463 RAUODFSWDQJAPV-ZETCQYMHSA-N 316.314 -0.589 50 20 DBGD Cn1/c(=N\NC(=O)[C@H](CO)NC(N)=O)sc2ccccc21 179456573 AHVXILSMMZURRN-GIQSTDFOSA-N 309.351 -0.799 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cc1 264153530 QWNMBBDIFLJXDK-ZETCQYMHSA-N 318.330 -0.084 50 20 DBGD Nc1c(C(=O)NNC(=O)[C@@H]2COCCO2)cccc1[N+](=O)[O-] 267390176 ICWUEEPWMQJMBX-VIFPVBQESA-N 310.266 -0.647 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(C(=O)OC)o1 275429868 FEDBHMHAOPCJCN-UHFFFAOYSA-N 305.312 -0.079 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 282095287 DHGBJVCZGQDQPB-UHFFFAOYSA-N 308.294 -0.723 50 20 DBGD Cc1nc2c(c(C)c1CC(=O)NNc1nnc[nH]1)c(=O)[nH]n2C 293523370 BEHAJPPDJPALRK-UHFFFAOYSA-N 316.325 -0.318 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)C2=COCCO2)C[C@@H](C)O1 298226259 AGSJVMFRSUCTPO-PHIMTYICSA-N 313.354 -0.479 50 20 DBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2ccc[nH]2)C1=O 299456929 WLJULOVORHNIGB-AWEZNQCLSA-N 319.321 -0.504 50 20 DBGD O=C(NNC(=O)[C@@H]1OCCc2ccccc21)C(=O)NC1CC1 362781997 QJCTYVDMALVAFS-GFCCVEGCSA-N 303.318 -0.274 50 20 DBGD CN(CCCn1ccnc1)C(=O)c1cc(B(O)O)ccc1F 584963590 VMCHRIDGMLXHKS-UHFFFAOYSA-N 305.118 -0.136 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCO[C@@H]1C 584983260 VJDPXCPFZYZHNZ-BXUZGUMPSA-N 307.155 -0.368 50 20 DBGD COCCN1CCC[C@H](NC(=O)c2ccc(B(O)O)cc2)C1 585000884 PHXOJRWYJPCNHX-AWEZNQCLSA-N 306.171 -0.793 50 20 DBGD OB(O)c1ccc(CNC[C@H](O)CN2CCCCC2)c(F)c1 585018772 RUSFVGCIYDITDK-AWEZNQCLSA-N 310.178 -0.558 50 20 DBGD COC(=O)[C@@H]1CN([C@@H](C)C(=O)NNC(=O)CC(C)C)CCO1 732200774 ORXBLZHERHQVDI-QWRGUYRKSA-N 315.370 -0.558 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)COCc2ccccc2)CN1 737628679 BKEORUTZDTVBPS-LBPRGKRZSA-N 305.334 -0.123 50 20 DBGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 764300431 OZZBLASXLXIRRN-UHFFFAOYSA-N 305.290 -0.569 50 20 DBGD O=C(NNC(=O)c1ccc(NCC2CC2)nc1)C(=O)NC1CC1 800687707 FWJMQMKKEIIHDI-UHFFFAOYSA-N 317.349 -0.057 50 20 DBGD COCc1cncc(C(=O)NNC(=O)N2CCN(C)CC2)c1 807381379 PZLWDDLWUUKNNH-UHFFFAOYSA-N 307.354 -0.170 50 20 DBGD COC(=O)N(C)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 822838379 WMHXWHIGFMJUNN-WDSKDSINSA-N 318.273 -0.061 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCc3nnnn3CC2)n[nH]1 845902765 ICTNROWPFOSHKA-QMMMGPOBSA-N 304.314 -0.882 50 20 DBGD CNS(=O)(=O)CC(=O)NNc1ncc(Br)cn1 848321155 KCIOAGDCPQKWOP-UHFFFAOYSA-N 324.160 -0.769 50 20 DBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCNC1=O 854193747 HJPVVSQYSGPDEJ-SNVBAGLBSA-N 321.333 -0.252 50 20 DBGD C[C@@H]1C[C@H](CCNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858358792 SBBUAUVDWGRTTF-MXWKQRLJSA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC(OCC3CC3)CC2)N1 858695906 GPRPUFDZPDRTPZ-LBPRGKRZSA-N 324.381 -0.103 50 20 DBGD CC(C)(C)N1C[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1=O 862451686 PLPDCXQEDHDGOX-RKDXNWHRSA-N 310.354 -0.941 50 20 DBGD CN(C)c1cc(C#N)cc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862460562 FWEXSOONIFCDRT-LBPRGKRZSA-N 315.333 -0.336 50 20 DBGD CNS(=O)(=O)c1cccc(C(=O)NNC(=O)N(C)C)c1 1318042986 KQPIUPCWQPKIFQ-UHFFFAOYSA-N 300.340 -0.489 50 20 DBGD O=C(CO[C@@H]1CCOC1)NNC(=O)[C@@H]1COc2ccccc2O1 1318972803 DJJKFAMIVKXTLF-MFKMUULPSA-N 322.317 -0.221 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1nccn(C)c1=O 1323508859 RLGIYVFPWIBRLY-UHFFFAOYSA-N 321.297 -0.273 50 20 DBGD Cc1cocc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1328815934 VBVRQSGTSZREHK-MRVPVSSYSA-N 301.324 -0.281 50 20 DBGD O=c1cnc2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)ccc2[nH]1 1330262917 UZJYVZHSNPVQPI-QMMMGPOBSA-N 323.139 -0.840 50 20 DBGD COC[C@H](C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1331970172 JEHIGGRSIQWRRL-RKDXNWHRSA-N 307.372 -0.824 50 20 DBGD Nc1cnnc(NNC(=O)CO[C@H]2CCCNC2)c1Cl 1349418045 OOASCFXDGKLOMK-ZETCQYMHSA-N 300.750 -0.076 50 20 DBGD CCCc1noc(CCCC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1351715538 HDKNKRKMVIRCAO-SECBINFHSA-N 323.353 -0.229 50 20 DBGD O=C(O)CN1CCC[C@@H](C(=O)NNc2ncc(F)cn2)C1=O 1574719716 MPUNKLZLXDLWNS-QMMMGPOBSA-N 311.273 -0.618 50 20 DBGD CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN1 1575522173 ITLNCDHBTNSIBN-NWDGAFQWSA-N 310.398 -0.077 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H](F)[C@@H]1CCNC1 1579016132 AKBZOCOYQJRSDG-ZJUUUORDSA-N 306.407 -0.192 50 20 DBGD Cc1cc(C(=O)NNC(=O)C2(CC(=O)O)CCOCC2)n[nH]1 1594280984 FBNSDKNBODWELN-UHFFFAOYSA-N 310.310 -0.249 50 20 DBGD CO[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H](C(=O)O)C1 1599121921 YJVXBGSUURPWOM-VXGBXAGGSA-N 307.111 -0.929 50 20 DBGD O=C(N[C@@H](C[C@H]1CCCOC1)C(=O)O)c1ccc(B(O)O)cc1 1601411438 QITYXHBZUVNMJF-MFKMUULPSA-N 321.138 -0.634 50 20 DBGD O=C(O)Cc1sccc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1602158511 VERRCUZDPAJAAY-ZETCQYMHSA-N 311.319 -0.585 50 20 DBGD CCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013281 BSELCKQWNKSVDM-UHFFFAOYSA-N 316.166 -0.407 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 40691477 ZAEOEESEERPYGN-UHFFFAOYSA-N 310.328 -0.441 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 46180939 PABNHEYGCJZNTN-UHFFFAOYSA-N 307.306 -0.303 50 20 DBGD CC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 55380533 FMPNPYCBMUVSAP-CQSZACIVSA-N 322.296 -0.240 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(C#N)c1 264120068 KRKDWBKASKVWPG-QMMMGPOBSA-N 310.335 -0.743 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C(C)(C)C)co1 270080847 ZZBNBTBTYKUTQV-UHFFFAOYSA-N 303.340 -0.005 50 20 DBGD COc1cccc(NNC(=O)C(C)(C)NS(C)(=O)=O)n1 272570897 VYJKOBKKKUKYKB-UHFFFAOYSA-N 302.356 -0.139 50 20 DBGD Cc1cncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 273463617 ICQOVNJIBAPVFY-QMMMGPOBSA-N 300.340 -0.911 50 20 DBGD CN(C)C(=O)COc1ccccc1C(=O)NNC(=O)C(C)(C)O 278006156 RGSIMJCJDRRGSE-UHFFFAOYSA-N 323.349 -0.315 50 20 DBGD CNC(=O)NCCC(=O)NNc1nc(-c2ccncc2)no1 293065493 NVHXLLKCCOPQQY-UHFFFAOYSA-N 305.298 -0.106 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 366845921 FBPBFBOFZSARDS-HBNTYKKESA-N 322.365 -0.447 50 20 DBGD COC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 496332976 ZFTIFGFYIXVAES-UHFFFAOYSA-N 317.327 -0.276 50 20 DBGD O=C(NC1(c2ncon2)CCOCC1)c1cccc(B(O)O)c1 584974233 SBVPDCDVRITYHU-UHFFFAOYSA-N 317.110 -0.815 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCOC[C@@H]1[C@@H]1CCCO1 584988292 JZYQJWUWYXKIPY-KGLIPLIRSA-N 323.129 -0.475 50 20 DBGD CN1CC[C@@]2(CCN(C(=O)c3cc(B(O)O)ccc3F)C2)C1 584992588 PTPWBQWTEHYTLP-OAHLLOKOSA-N 306.146 -0.327 50 20 DBGD COCCn1ncc2c1[C@H](NCc1ccc(B(O)O)o1)CCC2 585034068 FWLQCKFBWQTSRC-CYBMUJFWSA-N 319.170 -0.031 50 20 DBGD O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@H](B(O)O)C1 585071697 ZIXUAWIMHRXYKP-VIFPVBQESA-N 302.095 -0.642 50 20 DBGD O=C(CC[C@@H]1CCCCO1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 731965444 YGMNILNEFUWIBA-MNOVXSKESA-N 318.395 -0.082 50 20 DBGD C[C@@]1(NNC(=O)NCCn2cccn2)CCS(=O)(=O)C1 734279367 FIFXDLPRHOLPOP-LLVKDONJSA-N 301.372 -0.736 50 20 DBGD COC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)O)CC1 737638366 QILNMWURAWYETQ-UHFFFAOYSA-N 302.287 -0.521 50 20 DBGD Cc1ccc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)cc1F 753438874 HDCUSSQUEPDBFN-VIFPVBQESA-N 309.297 -0.373 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1sc(C)nc1C 764326064 DWTNOVFGRLZIQL-UHFFFAOYSA-N 300.340 -0.118 50 20 DBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)Cc1ccncc1 765780021 CYUFYPUMEYWINC-VXGBXAGGSA-N 319.365 -0.131 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 780848407 MVGLSGQUTVCAKP-NSHDSACASA-N 307.306 -0.500 50 20 DBGD Cn1ncc(C(=O)NNC(=O)c2cc(Br)c[nH]2)n1 785722590 HCLKKJBWRWYYLR-UHFFFAOYSA-N 313.115 -0.020 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1n[nH]c2c1CCCCC2 789732158 GVJPFYPWNYSHJF-UHFFFAOYSA-N 307.354 -0.036 50 20 DBGD CCCS(=O)(=O)CC(=O)NNC(=O)C(C)(OCC)OCC 807370700 RZJCVJGZQNFSNB-UHFFFAOYSA-N 324.399 -0.252 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)nn1 808372509 QYIRCHPZZGUVCZ-UHFFFAOYSA-N 313.321 -0.295 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(CCO)C[C@@H](C)O)cc1 810039968 KSRSHABIEUNLHC-GFCCVEGCSA-N 309.366 -0.569 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(N)nc1 814814368 IKAKTKVZKXSCAT-SNVBAGLBSA-N 311.367 -0.126 50 20 DBGD CC(C)(C)c1csc(NC(=O)C(=O)NNC(=O)CO)c1C#N 815570681 JWPLXMGECOLYTO-UHFFFAOYSA-N 324.362 -0.005 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNc2ncncc2F)C1=O 817083040 UHXIHFDVLMKAOU-UHFFFAOYSA-N 310.289 -0.267 50 20 DBGD CN(CCC(=O)O)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 818463086 VFTSQFWSBAGCDE-UHFFFAOYSA-N 324.293 -0.238 50 20 DBGD CC(C)NC(=O)NNC(=O)CNS(=O)(=O)c1cccnc1 824404213 MVNSPAOEYBEIPK-UHFFFAOYSA-N 315.355 -0.901 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)N[C@@H]1CNCCC1(F)F 842002500 FTGWVQNBKXOJBN-DTWKUNHWSA-N 306.313 -0.117 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCCO[C@H](CN)C2)cc1 842479422 RXJOEECJXDWNOM-CQSZACIVSA-N 320.393 -0.194 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC(N2CCOC2=O)CC1 852722241 SZWZJAVBUNGMAY-JTQLQIEISA-N 312.370 -0.151 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCCN1C=O 854286475 QFZMHVYEUDUQAL-JTQLQIEISA-N 302.400 -0.519 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNc1ncc(Cl)cn1 857729097 JSOCBUIQKLAFCF-UHFFFAOYSA-N 312.717 -0.095 50 20 DBGD CCOC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCC1 858490476 IBXXIXZWLKDWFH-JTQLQIEISA-N 312.370 -0.055 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@H](CO)c2ccccc2)N1 858696532 MSUVZLAGAUCPTH-WDEREUQCSA-N 306.322 -0.671 50 20 DBGD CCN1CCN(CC(=O)NN[C@H](C)C(F)(F)F)C(=O)C1=O 862308836 FOZIJTOOAANPNN-SSDOTTSWSA-N 310.276 -0.751 50 20 DBGD COc1cc(CC(=O)NNC(=O)CS(C)(=O)=O)ccc1C 863459761 YURNSEDRHWJMOI-UHFFFAOYSA-N 314.363 -0.262 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N[C@H]1COCCC1(OC)OC 931672172 BCMMDJPGIGMGKW-ZJUUUORDSA-N 303.359 -0.700 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1117763254 CNXROCDVVJAKBR-MNOVXSKESA-N 323.374 -0.307 50 20 DBGD COc1cncc(NC(=O)C(=O)NNC(=O)C2CCCC2)n1 1261512100 CABGXFNSVUWHRY-UHFFFAOYSA-N 307.310 -0.239 50 20 DBGD CCOC(=O)Cc1csc(NC(=O)NNC(=O)CCO)n1 1320279133 HNEKSOFVORLWRZ-UHFFFAOYSA-N 316.339 -0.216 50 20 DBGD CCn1nc(C)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1C 1321154249 OTAOFTMMTNIURW-UHFFFAOYSA-N 310.358 -0.833 50 20 DBGD Cc1cc(OCC(=O)NNC(=O)C(=O)Nc2ccccn2)no1 1322515709 CUWKMUFFVBZTJQ-UHFFFAOYSA-N 319.277 -0.457 50 20 DBGD COC(=O)N(C)NC(=O)CCc1nc(O)c2cnn(C)c2n1 1323261617 OXBNKWJREUMAGB-UHFFFAOYSA-N 308.298 -0.269 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=S)NCC1CCN(C)CC1 1323875945 DNQGYGZNJWZANC-UHFFFAOYSA-N 315.443 -0.652 50 20 DBGD Nc1cnnc(NNC(=O)[C@@H]2CCCS2(=O)=O)c1Cl 1332888816 HTGVMGRVZPOTSM-LURJTMIESA-N 305.747 -0.268 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCn2ccnc2C1 1333426694 WAHVRPLLIXGMQY-JTQLQIEISA-N 305.338 -0.785 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)N2CCO[C@]3(CCNC3)C2)cn1 1579959680 UUXDDUHIXUIQJJ-NNSJBKGDSA-N 301.350 -0.082 50 20 DBGD O=C(O)c1cc(F)cc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 1602271634 AVGZYCSXCYFLKG-MRVPVSSYSA-N 317.103 -0.239 50 20 DBGD Cn1cc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)co2)cn1 1610600574 ZVSMIZRJWAZHCY-UHFFFAOYSA-N 314.279 -0.665 50 20 DBGD NCC(=O)N1CC2(CCCN2C(=O)CCBr)C1 1842637852 PQCVDSDZHORKJO-UHFFFAOYSA-N 304.188 -0.067 50 20 DBGD Cc1cc(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)[nH]n1 48824116 FMOQNRQDCJKWQL-QMMMGPOBSA-N 300.340 -0.696 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)CCC(=O)N2C 89487021 QPCKKYARVCFRJY-UHFFFAOYSA-N 304.350 -0.082 50 20 DBGD COCCN1CC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1 266999708 ZZOWRSBKUOCFET-ZDUSSCGKSA-N 321.381 -0.325 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CN1CCN(c2ccccn2)CC1 276189004 DNVLSVDIXHIXTG-UHFFFAOYSA-N 321.381 -0.878 50 20 DBGD C[C@H]1NC(C(=O)NN(C)C(N)=O)=NN(c2ccccc2)C1=O 373175043 DVYWPBXSPJTMNB-MRVPVSSYSA-N 304.310 -0.634 50 20 DBGD COC[C@H](C)n1ccc(NC(=O)c2cccc(B(O)O)c2)n1 584974219 NCJXOBPCTUTCNX-JTQLQIEISA-N 303.127 0.023 50 20 DBGD CC(=O)N1CC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584993332 QFVPXWPOEIMCTB-JTQLQIEISA-N 308.118 -0.896 50 20 DBGD Cn1c(=O)n(CCC(=O)N2CC[C@H](B(O)O)C2)c2ccccc21 585068955 JLSOIOFMGNXRSO-NSHDSACASA-N 317.154 -0.195 50 20 DBGD NC(=O)CNC(=S)NNC(=O)Cc1ccc(Cl)cc1 727067567 FKPBZEBTZLOOPK-UHFFFAOYSA-N 300.771 -0.137 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cccc(NS(C)(=O)=O)c1 727761645 WUFGNMVTEVTMQL-UHFFFAOYSA-N 314.367 -0.619 50 20 DBGD CCN1CCO[C@@H](C(=O)NNC(=O)COc2ccccc2O)C1 746234096 GEAFNXKMFZQEED-CYBMUJFWSA-N 323.349 -0.361 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)Cn1ccnc1 748454269 QYVKQSWOZHQSIS-GHMZBOCLSA-N 313.358 -0.347 50 20 DBGD Cc1oc(C(=O)NNC(=O)N(C)C)cc1S(=O)(=O)N(C)C 753599770 MGFNHOCARKZDPF-UHFFFAOYSA-N 318.355 -0.246 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C)nn1C(C)(C)C 764299038 AZOQLLSTQMTDLR-UHFFFAOYSA-N 311.342 -0.321 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C1CCC(NC(=O)C2CC2)CC1 793923493 HELAQVLNMONFLP-UHFFFAOYSA-N 311.382 -0.010 50 20 DBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)NCCCOC 795587898 KPUUXQIWVQCTGZ-ONGXEEELSA-N 302.375 -0.096 50 20 DBGD CC(C)(O)CN1CCC(=NNC(=O)C(=O)N2CCCC2)CC1 814218610 DXTJSLFWLZSNNN-UHFFFAOYSA-N 310.398 -0.052 50 20 DBGD CC1CCC(NS(=O)(=O)CC(=O)NN(C)[C@H](C)CO)CC1 823964567 BSOAAVOBPDBQCK-MOENNCHZSA-N 321.443 -0.172 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCC[C@H](CC(N)=O)C1 827289659 UQOZUMSBIKPGLD-HBNTYKKESA-N 312.370 -0.260 50 20 DBGD N#Cc1cc(Cl)nc(NNC(=O)C2(S(N)(=O)=O)CC2)c1 845908313 OVIBYWKNYLECDY-UHFFFAOYSA-N 315.742 -0.129 50 20 DBGD CC(C)CN1N=C(C(=O)NNC(=O)c2cc[nH]n2)CCC1=O 855357054 YYIJTXAMJQMVJF-UHFFFAOYSA-N 306.326 -0.195 50 20 DBGD C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862449328 NIXHPSVDVPLAKZ-MWLCHTKSSA-N 318.333 -0.769 50 20 DBGD Cc1csc(C(=O)NNC(=O)c2nc(N)nc(N(C)C)n2)c1 862479382 MORFOKWSUPWIRH-UHFFFAOYSA-N 321.366 -0.035 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 910152167 JGMWGEXLFJGUIQ-ZBEGNZNMSA-N 321.377 -0.263 50 20 DBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)c1ccncc1 920134535 ZJFJIVGSGOCPAX-UHFFFAOYSA-N 305.294 -0.825 50 20 DBGD CCN(CCC(=O)NC)CC(=O)NNC(=O)c1cccs1 933864351 ACEIWLUEFBMWOO-UHFFFAOYSA-N 312.395 -0.033 50 20 DBGD CCc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1C 1115975892 WAKQFDLAGCAVDB-QMMMGPOBSA-N 314.367 -0.822 50 20 DBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)c1ccc[nH]1 1116059226 OFZPYNKEUSKHNH-MRVPVSSYSA-N 302.356 -0.218 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=O)Cc2ccccc2F)C1=O 1118822060 UVNGGCIVVOHTNQ-UHFFFAOYSA-N 322.296 -0.590 50 20 DBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)Cc2ccncc2)S1 1252481205 DGLDRHBJCOXSAO-MRVPVSSYSA-N 307.335 -0.672 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1 1255507788 GUSRJPQYMPIULX-UHFFFAOYSA-N 318.289 -0.265 50 20 DBGD COC(=O)c1occc1C=NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317725786 HQFOOZJGXRIZQN-SECBINFHSA-N 314.319 -0.049 50 20 DBGD O=C(CCn1cccn1)NNC(=O)C(=O)Nc1ccccn1 1323812684 CXXYKSGZCOCJFP-UHFFFAOYSA-N 302.294 -0.546 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)nn1C 1329297719 DVZONKIFVMRIRS-SCZZXKLOSA-N 323.353 -0.507 50 20 DBGD Cc1noc([C@H]2CCCN2C(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1331534436 UYNSPJCEEJFPDO-RKDXNWHRSA-N 322.325 -0.466 50 20 DBGD O=C(NNS(=O)(=O)C[C@@H]1CCCOC1)C1CCOCC1 1331925104 OJXHRXGJRKLYPH-SNVBAGLBSA-N 306.384 -0.210 50 20 DBGD CCNC(=O)NNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 1333418914 JYNYJLBOYKLZPN-MRVPVSSYSA-N 307.372 -0.681 50 20 DBGD C[C@@H]1C[C@H]2CC[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CN2C1 1346387538 IEQZZHHBDAVLLK-FRRDWIJNSA-N 322.409 -0.123 50 20 DBGD Cc1nnc(CC(=O)NNC(=O)CNC(=O)c2ccco2)s1 1350616483 ORMPFLVTARLHPU-UHFFFAOYSA-N 323.334 -0.441 50 20 DBGD C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)[C@H]3COCCO3)CN2C1 1548662542 ZTSAEDNTAYMFOS-FVCCEPFGSA-N 311.382 -0.330 50 20 DBGD CN1CCNC[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1 1578537891 CJTRGXRBGYISPT-GFCCVEGCSA-N 310.785 -0.067 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H]([C@H]2CCNC2)C1 1580818837 RODLERHIHSXZCR-KBPBESRZSA-N 302.183 -0.172 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)c1=O 1594551424 DETAWHOUIYLSIW-RKDXNWHRSA-N 310.310 -0.507 50 20 DBGD COc1cccc([C@H](NNC(=O)[C@@H]2COCCO2)C(=O)O)c1 1599659741 NLWGNVAZVXGWKZ-RYUDHWBXSA-N 310.306 -0.143 50 20 DBGD Cn1cc(/C=C(\C#N)C(=O)NC[C@]2(C(=O)O)CCOC2)cn1 1600946654 NRRBTZVHSUQOLL-MCRQLQJRSA-N 304.306 -0.065 50 20 DBGD O=C(O)CCC(=O)OCC(=O)NNC(=O)c1cccs1 1611421456 HVYRBKFUWKTTRW-UHFFFAOYSA-N 300.292 -0.083 50 20 DBGD C[C@H]1CN(C)C[C@@H](C(=O)NN=Cc2cc(C(=O)O)cn2C)O1 1776092626 WAHRFHGFQVWGSW-CABZTGNLSA-N 308.338 -0.108 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)NC(=O)OC 270483467 QWBXBFJDRAXVDS-ZETCQYMHSA-N 302.331 -0.817 50 20 DBGD COC(C)(C)CC(=O)NNC(=O)CNC(=O)c1cccnc1 278689406 DZCLPQQKHKXKEF-UHFFFAOYSA-N 308.338 -0.226 50 20 DBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1OC(F)F 292094805 HFNCITMXVFYZDD-ZETCQYMHSA-N 304.253 -0.039 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CN(CC)CCO1 377260000 NREZMAXHIRMDFM-LLVKDONJSA-N 317.386 -0.356 50 20 DBGD CN1CC[C@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@H]2C1 584972497 YPEKBUPLHGKAFT-HZMBPMFUSA-N 306.146 -0.328 50 20 DBGD CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 584992231 ISCVEIGTUBPSFR-JTQLQIEISA-N 308.118 -0.896 50 20 DBGD CC(C)(CCNC(=O)c1cccc(B(O)O)c1)S(C)(=O)=O 584998742 CEIVQYZALPCLOB-UHFFFAOYSA-N 313.184 -0.691 50 20 DBGD Cn1cnc2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)ccc21 585057438 DTHWJJZXIPNSDN-VIFPVBQESA-N 309.156 -0.189 50 20 DBGD CCN(CC)CCC(=O)NNC(=S)NCCS(C)(=O)=O 729157225 UIHGTXYGURUTCU-UHFFFAOYSA-N 324.472 -0.742 50 20 DBGD C#CCN1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 730282131 GJKAMLYVLZUGTB-NSHDSACASA-N 318.333 -0.746 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)on1 733757078 ITOUBGDPYOGCJU-QMMMGPOBSA-N 315.351 -0.006 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)N(C)C(C)C 747617267 USJUSJBABSWCLX-UHFFFAOYSA-N 308.404 -0.503 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(O)cc(O)c1 753700608 MKPKUARGLBNPTJ-MRVPVSSYSA-N 315.351 -0.124 50 20 DBGD COC1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCCC1 754207657 QMTABFYASUUMMY-QMMMGPOBSA-N 307.372 -0.969 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC12CCCC2 758028086 BYMOBQBHGYKIEX-DTWKUNHWSA-N 303.384 -0.348 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)Cc1cccnc1 759783845 LRWPCQPCRAHZFW-UHFFFAOYSA-N 316.317 -0.353 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)COc1ccc(C#N)cc1 761135330 IGTAUGFUWCHZJC-UHFFFAOYSA-N 305.294 -0.987 50 20 DBGD CN(C)c1nccc(NNC(=O)[C@@H]2CN3CCCN2CC3)n1 764325762 DKIKYMVOWSYDMT-NSHDSACASA-N 305.386 -0.624 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)cn1 790655853 PANKMMAWLAONSV-LBPRGKRZSA-N 314.305 -0.231 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCN2C2CCCC2)CC1 822764603 KFALJSAWYWGKQF-CYBMUJFWSA-N 309.414 -0.009 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC2CCC1CC2 825731288 DVVRVMGEFGZYKL-AGVGLQIMSA-N 317.411 -0.102 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)cn1 827076190 NCEWVAFHPPDDQZ-SNVBAGLBSA-N 322.369 -0.237 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H]2COC(=O)N[C@H]2C1 830922702 TVMWZPOPHNRQLQ-ZJUUUORDSA-N 312.370 -0.390 50 20 DBGD CCC[C@@H](C(=O)NNc1ccc(OC)cn1)S(N)(=O)=O 832649079 JUOOJQHZQJHEOK-VIFPVBQESA-N 302.356 -0.010 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H](c1cncn1C)N(C)C 843970866 MHCLDOVKUIZHLQ-NHCYSSNCSA-N 309.370 -0.405 50 20 DBGD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1 852308391 DAFUBACMLWHJTR-OIBJUYFYSA-N 309.301 -0.311 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N2CCO[C@@H](c3ccco3)C2)N1 858697031 ONMRASZKLMZBDG-MWLCHTKSSA-N 322.321 -0.328 50 20 DBGD O=C(NNC(=O)c1ccnc(N2CCCC2)n1)c1cn[nH]c1 862472589 NRMCGZUHDFBMDM-UHFFFAOYSA-N 301.310 -0.125 50 20 DBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)CN2CCCC2=O)C1 913732425 WLAYVPXJLKGIRG-JTQLQIEISA-N 310.354 -0.985 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc2c1OCO2 920432879 IMHNCVCJUCKEFJ-UHFFFAOYSA-N 305.290 -0.201 50 20 DBGD COCCCNC(=O)NNC(=O)CCNC(=O)C(C)(C)C 920862277 WBHVRRQLHUSEDG-UHFFFAOYSA-N 302.375 -0.094 50 20 DBGD CN1CC(=O)N(CCCC(=O)NNC(=O)c2ccncc2)C1=O 921231109 LGHSZRBTHDUGKQ-UHFFFAOYSA-N 319.321 -0.483 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1116357361 SLAJNZYREJTEFW-SECBINFHSA-N 317.371 -0.253 50 20 DBGD Cn1ccc(S(=O)(=O)NNC(=O)c2n[nH]c3c2CCCC3)n1 1251539794 WVVDPLIWABHQGM-UHFFFAOYSA-N 324.366 -0.355 50 20 DBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)c1ccccc1F 1317702991 RVEDTAZHTANJEZ-SECBINFHSA-N 308.269 -0.425 50 20 DBGD C[C@@H]1C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC1=O 1321035584 VHPQCWXHMUZOHN-IWSPIJDZSA-N 319.383 -0.923 50 20 DBGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1Cl 1325520107 VVDWKPFZWNZDCT-UHFFFAOYSA-N 310.697 -0.320 50 20 DBGD CN(C)N(C(=O)c1ccn2nnnc2c1)[C@H]1CCS(=O)(=O)C1 1334407726 HKZUEWJWPAIQLW-JTQLQIEISA-N 324.366 -0.770 50 20 DBGD CO[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)c1cnn(C)c1 1344547607 BYIAVNMOVHONCZ-SNVBAGLBSA-N 305.298 -0.860 50 20 DBGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)N(C)C 1347479004 MWZDTLMXMZCMGQ-NSHDSACASA-N 324.385 -0.215 50 20 DBGD CCOCCOCCCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1349542565 FDVDODAGIIQWPC-SNVBAGLBSA-N 301.343 -0.754 50 20 DBGD CC(C)NC(=S)NNC(=O)[C@@H](C)n1cnc2c(N)ncnc21 1350526032 XAYQIKUSFDOFJF-SSDOTTSWSA-N 322.398 -0.127 50 20 DBGD CN(C)C(=O)[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 1520640010 OHTHUSNVDJCXNY-JTQLQIEISA-N 322.145 -0.554 50 20 DBGD CCC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 1594712327 HPUMTMPRFXBBJJ-JTQLQIEISA-N 321.289 -0.577 50 20 DBGD COC(=O)c1ccc(NNC(=O)Cn2cc(C(=O)O)nn2)nc1 1598982782 DBJSCTFGGQKOAK-UHFFFAOYSA-N 320.265 -0.699 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)NC1(C(=O)O)CCOCC1 1603761876 SMJLCYHONRGFMD-SNVBAGLBSA-N 315.370 -0.208 50 20 DBGD COCC(=O)NCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 1609316425 YVOMSMNJYBJRAC-UHFFFAOYSA-N 319.325 -0.538 50 20 DBGD CCOCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841349779 NTGWEIWIQLFSJN-JTQLQIEISA-N 304.774 -0.174 50 20 DBGD CCOCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842692099 PCMKMIVDCVCVHE-SNVBAGLBSA-N 304.774 -0.174 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cc1ccc(-n2cnnn2)cc1 276187162 DJFBXKSVAYXUCO-UHFFFAOYSA-N 304.310 -0.877 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1sccc1-n1cnnn1 294641453 MFDJXIAPIZYVCO-QMMMGPOBSA-N 308.323 -0.336 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 365373448 ZOOASOWKPPOKRU-LLVKDONJSA-N 309.297 -0.199 50 20 DBGD CC1(C)[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)[C@H]2CCCO[C@H]21 371100274 OZSLBJILDRZKQG-GMTAPVOTSA-N 324.381 -0.201 50 20 DBGD CCOCCN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584946310 QRDNQOJHXYRQQP-UHFFFAOYSA-N 306.171 -0.839 50 20 DBGD Cc1nc(CCCNC(=O)c2ccc(B(O)O)c(F)c2)n[nH]1 584955741 UIWHQKZYAZLUON-UHFFFAOYSA-N 306.106 -0.705 50 20 DBGD C[C@H]1C[C@@H](NC(=O)c2cc(B(O)O)ccc2F)CN1C1CC1 584958065 OVLSNQJAEDEWQP-GXSJLCMTSA-N 306.146 -0.140 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](N2CCC2)[C@@H](F)C1 584982163 LXXYHTIRCBRCKL-KBPBESRZSA-N 324.136 -0.236 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 733368743 DXEUAYVOXJPGHJ-UHFFFAOYSA-N 304.303 -0.563 50 20 DBGD CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1cnn(C)c1 735510248 JZIHBGWWMGOSLD-VIFPVBQESA-N 310.358 -0.331 50 20 DBGD COc1cc(C)nc(NNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 746623460 MNOTURFYRIXGRK-UHFFFAOYSA-N 308.258 -0.563 50 20 DBGD CCOC(=O)/C(C#N)=C\NNC(=O)CNC(=O)c1ccco1 751263038 UMZYTNFTRVEICV-CLFYSBASSA-N 306.278 -0.399 50 20 DBGD O=C(NNC(=O)C(C1CC1)C1CC1)N[C@H]1CCS(=O)(=O)C1 753481396 KLLKSKCQJFWDRJ-JTQLQIEISA-N 315.395 -0.060 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H](N2CCCC2=O)C1 761114705 NOIZDCZOCDQCBU-LLVKDONJSA-N 310.398 -0.123 50 20 DBGD CO[C@H](C(=O)NNc1ncnc2[nH]cnc12)c1cnn(C)c1 799099968 JVOHOYOYCPQLPR-VIFPVBQESA-N 302.298 -0.083 50 20 DBGD COC(=O)N(C)NC(=O)c1ccc(C)c(S(N)(=O)=O)c1 804121457 HXURQKDVCLLOGA-UHFFFAOYSA-N 301.324 -0.015 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(F)CCCCC1 810345315 FPPGWLXOFBRZMF-MRVPVSSYSA-N 309.363 -0.256 50 20 DBGD O=C(NNC(=O)[C@@H](O)C1CC1)C1CCN(c2ncccn2)CC1 826122000 WREWJMRVXMSMSV-LBPRGKRZSA-N 319.365 -0.389 50 20 DBGD O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCN1 828347248 IQIWEMDAWIYPLV-GFCCVEGCSA-N 310.379 -0.068 50 20 DBGD N#CC[C@@]1(O)CCN(CC(=O)NNC(=O)c2ccccc2)C1 829983479 VXDXMUMXSDWUFJ-OAHLLOKOSA-N 302.334 -0.202 50 20 DBGD O=C(O)C[C@@H]1CSCCN1CC(=O)NNC(=O)C1CC1 833221398 KUVNYSHENNFOLY-SECBINFHSA-N 301.368 -0.564 50 20 DBGD COC(=O)COCC(=O)NNC(=O)COc1ccc(C#N)cc1 854193450 XZIMWCXXLVVLPA-UHFFFAOYSA-N 321.289 -0.726 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCNC(=O)C1 854282068 BTSZZJZDJCHOHX-VIFPVBQESA-N 302.400 -0.613 50 20 DBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC(F)(F)F 855000056 AAKNOYUVHIXGRQ-SSDOTTSWSA-N 319.305 -0.340 50 20 DBGD C[C@@](O)(CCc1ccccc1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461941 NGZFCIPYXZDUJQ-MLGOLLRUSA-N 319.361 -0.204 50 20 DBGD COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(B(O)O)c1)C2 863884692 BZWABNUSROOVEV-LERXQTSPSA-N 317.150 -0.220 50 20 DBGD NC(=O)NC(=O)c1cccc(NCc2ccccc2B(O)O)c1 864036202 MHQIBBQNVDRFOJ-UHFFFAOYSA-N 313.122 -0.213 50 20 DBGD O=C(NN=Cc1cn(C[C@H]2CCCO2)nn1)N1CCOCC1 872346488 UVFIXFXSBZSANJ-GFCCVEGCSA-N 308.342 -0.167 50 20 DBGD CCCNC(=O)NNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116174171 RKGOMMOWTQRMBU-QXMHVHEDSA-N 309.326 -0.357 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 1253208163 NLOYRMJQBFFADL-QPUJVOFHSA-N 317.367 -0.456 50 20 DBGD Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)C(=O)NC(C)C 1254435326 SIHLQJAGEXPYBJ-UHFFFAOYSA-N 309.297 -0.011 50 20 DBGD CC(C)CC(=O)NNC(=O)NCCN1CCC2(C1)OCCO2 1263750384 YJLFIJJKSHRJMI-UHFFFAOYSA-N 314.386 -0.188 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)OC)[C@]12CCCO2 1320296280 PVSQRMXYTTYNAD-IGJMFERPSA-N 315.326 -0.784 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nc1 1322567198 UGTLSCCZOXVEDK-VIFPVBQESA-N 308.319 -0.851 50 20 DBGD O=C(CCn1cnccc1=O)NNC(=O)NCc1ccco1 1324177521 LQTGLSWXNQJRKI-UHFFFAOYSA-N 305.294 -0.243 50 20 DBGD CCn1ncc(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 1327268330 RGNAQAIOYZXUIM-VHSXEESVSA-N 323.353 -0.278 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCOCC1)[C@H]1C[C@H]2CC[C@H]1O2 1574578751 NUHVXVOHDPVSEN-KXUCPTDWSA-N 312.322 -0.417 50 20 DBGD C[C@@H]1[C@@H](NC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCN1C 1590170929 NGLHOKJSZNPUHQ-SCZZXKLOSA-N 317.357 -0.020 50 20 DBGD C[C@H](CC(=O)O)CC(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1592391365 IRTKIJZISIJIMM-LURJTMIESA-N 306.282 -0.434 50 20 DBGD CCOC(=O)N[C@@H](CNC(=O)NNC(=O)C(=O)O)CC(C)C 1596656959 BMYKTOSAFJQMLL-MRVPVSSYSA-N 318.330 -0.438 50 20 DBGD Cc1c(C(=O)NNC(=O)c2ccc(C(=O)O)cn2)nnn1C 1605076521 DIDSGYTVFAUJQL-UHFFFAOYSA-N 304.266 -0.708 50 20 DBGD O=C(CSC(F)(F)F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 41785335 WFAXSUYEJUCLNK-RXMQYKEDSA-N 320.314 -0.179 50 20 DBGD CNC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 48950526 IXPDJQYHHPOJIO-ZCFIWIBFSA-N 306.369 -0.625 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 49034568 TXUIHVSYZFFBJB-RXMQYKEDSA-N 303.262 -0.544 50 20 DBGD O=C(NNC(=O)c1cccc2cn[nH]c12)C(=O)N1CCCC1 132226465 OSZAXZIBWYWAAJ-UHFFFAOYSA-N 301.306 -0.054 50 20 DBGD COC(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 276028870 ZAFYLOYCILGAAR-GHMZBOCLSA-N 311.338 -0.185 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ns1 277635756 BSUCJTPRLMBWPH-LURJTMIESA-N 306.369 -0.850 50 20 DBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)Cn1nc(C)cc1C 285213243 WXVPQOPLSBDRNC-GHMZBOCLSA-N 308.338 -0.153 50 20 DBGD O=C(/C=C\c1cccc(O)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 492734179 JNKPTHUGRVFSKM-WYGGZMRJSA-N 324.358 -0.013 50 20 DBGD CCN(CC)C(=O)CN(C)C(=O)c1ccc(B(O)O)c(F)c1 584925684 KYTSWFFDWMNOPN-UHFFFAOYSA-N 310.134 -0.554 50 20 DBGD COC[C@@H](C)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584947357 MWVHOSCGIMDIRS-GFCCVEGCSA-N 306.171 -0.841 50 20 DBGD Cc1nnc2n1CCC[C@H]2NC(=O)c1cc(B(O)O)ccc1F 584961630 YCBFUZMEXKRHEK-GFCCVEGCSA-N 318.117 -0.330 50 20 DBGD CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1ccc(B(O)O)cc1)C[C@@H]3C2 584988475 OPYDGKMJXAICKA-IXDBCEGASA-N 301.151 -0.138 50 20 DBGD O=C1CC2(CCCCC2)N(C(=O)c2ccc(B(O)O)cc2)N1 584989030 JHOLCSXPPKNYNX-UHFFFAOYSA-N 302.139 -0.054 50 20 DBGD CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)CCCCl)C1 690669311 VJUYVGJOLSCGEL-SECBINFHSA-N 318.848 -0.184 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 732084006 DTKRGJQDQFAIME-GFCCVEGCSA-N 309.351 -0.455 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1 750658290 RRPMGNRYWJDWAG-VIFPVBQESA-N 306.326 -0.873 50 20 DBGD COc1nccnc1NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 764465555 NRPQHBAYULSSMP-UHFFFAOYSA-N 320.265 -0.302 50 20 DBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)C(C)C 770168625 SEPRLKJZLCXLPA-UHFFFAOYSA-N 305.342 -0.331 50 20 DBGD Cc1nccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 776495590 HONXPTCOWIOXFN-QMMMGPOBSA-N 313.339 -0.628 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2ccc3c(c2)NC(=O)C3)cn1 784016452 XNSKFDPBOYWXRZ-UHFFFAOYSA-N 313.317 -0.082 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)C1(O)CCOCC1 792799217 XSNUWBVPIVHIGM-UHFFFAOYSA-N 308.334 -0.073 50 20 DBGD CCc1noc(CCCC(=O)NNC(=O)N2CCN(C)CC2)n1 807381278 MJLVCMDAJMKYAX-UHFFFAOYSA-N 324.385 -0.057 50 20 DBGD O=C(Cc1ncc[nH]1)NNC(=O)[C@H]1COc2ccccc2O1 816814588 WMAGNCUCNCTWQM-LLVKDONJSA-N 302.290 -0.060 50 20 DBGD CC1=C(C(=O)NNC(=O)CC(F)(F)F)Cn2nnnc2N1C 855000420 ICEQDNUGEAHGGR-UHFFFAOYSA-N 319.247 -0.503 50 20 DBGD O=C(CSc1n[nH]c(O)n1)NNC(=S)NCC1CCC1 855089351 NGPIVMDCERMVTO-UHFFFAOYSA-N 316.412 -0.102 50 20 DBGD O=C(CS(=O)(=O)C1CC1)NNC(=O)c1cccc(F)n1 856428259 RVHJRJRJXFZFNF-UHFFFAOYSA-N 301.299 -0.441 50 20 DBGD CCCC[C@](C)(F)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 857116623 KSXUAHZNOWYELH-KCJUWKMLSA-N 311.379 -0.010 50 20 DBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccncn2)C1 857520847 QBEHERSAYRHQAH-SNVBAGLBSA-N 313.383 -0.019 50 20 DBGD C[C@@]1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)COc2ccccc2O1 862463739 KTJIXPGUAQIXLO-VFZGTOFNSA-N 319.317 -0.358 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)n1 1116865777 RSDFBZGQMPGVRU-MWLCHTKSSA-N 321.337 -0.633 50 20 DBGD NC(=O)C(=O)NN=Cc1c(Cl)nc(N)nc1N1CCCC1 1248532600 CGFHLHBPKUQOLE-UHFFFAOYSA-N 311.733 -0.752 50 20 DBGD Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 1252032901 UADFIGWOBWMGQC-ZETCQYMHSA-N 308.342 -0.601 50 20 DBGD CC1CC(C#N)(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 1319159827 AERWGBJMQWGXDQ-XEVUQIKYSA-N 314.367 -0.556 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cn(CC3(C)COC3)nn2)n[nH]1 1320163838 BYPJIUIJASSTCX-UHFFFAOYSA-N 319.325 -0.579 50 20 DBGD Cc1nc(Cn2cc(C(=O)NNC(=O)C3CCC3)nn2)no1 1320941193 GEOYAEUMTODQKX-UHFFFAOYSA-N 305.298 -0.421 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cnc(C2CC2)nc1 1321154378 UCXDROOAKLMXQU-UHFFFAOYSA-N 306.326 -0.999 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C[C@H]1COC(=O)C1 1323535185 PQHDICHEQVBDIF-MRVPVSSYSA-N 315.326 -0.388 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 1324919582 OKFKFQUBTCWKLY-UHFFFAOYSA-N 320.305 -0.844 50 20 DBGD CS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1328731842 SMRMUNHOUZVFMQ-SECBINFHSA-N 315.355 -0.727 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1329711365 BIEWHIMFNFVSKR-GUBZILKMSA-N 304.368 -0.616 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)Cc2cccnc2)CC1 1330338029 OOQIAECENWHLEB-UHFFFAOYSA-N 319.409 -0.201 50 20 DBGD CCn1nc(C)c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1Cl 1331804426 WCRRSUXQGZOTHN-SSDOTTSWSA-N 313.745 -0.096 50 20 DBGD O=C(CCc1ccoc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1340108760 AOXYAZVQQMVUFD-JTQLQIEISA-N 315.351 -0.270 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc2c(c1)OCCO2 1343600180 WCFUWYWBJYLLCT-UHFFFAOYSA-N 309.278 -0.539 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1ccc[nH]1)[C@H]1CN(C)CCN1C 1351788470 XPMLVNPMYCKCJD-ZYHUDNBSSA-N 308.386 -0.407 50 20 DBGD Cc1cccc(C(=O)NNC(=O)c2cnnn2C2CNC2)n1 1579750352 NTKHISNRMJVESG-UHFFFAOYSA-N 301.310 -0.799 50 20 DBGD Cc1nnc(NNC(=O)c2cccc(-c3nn[nH]n3)n2)nc1O 1581612814 VWDGCYHJMRUITI-UHFFFAOYSA-N 314.269 -0.782 50 20 DBGD O=C(O)[C@@H]1CSCCN(C(=O)c2ccc(B(O)O)cc2)C1 1601856572 QGZCWZPDIDJTSW-JTQLQIEISA-N 309.152 -0.744 50 20 DBGD O=C(O)C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)C1CC1 1601890899 MTPXCEAFEJQQOE-VIFPVBQESA-N 309.102 -0.264 50 20 DBGD CN(C)[C@H](CNC(=O)NNC(=O)C(=O)O)Cc1ccccc1 1606012392 WIBHYKMMQWXJQQ-NSHDSACASA-N 308.338 -0.426 50 20 DBGD CC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793105910 GKNRNJZEAURNOP-KZZRWZIVSA-N 318.801 -0.005 50 20 DBGD NC(=O)NC1(C(=O)NNC(=O)COCc2ccccc2)CC1 271211474 HSCGYHHBHHAWAY-UHFFFAOYSA-N 306.322 -0.449 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N 276173019 BKSHAVJDEWRJTQ-UHFFFAOYSA-N 300.246 -0.152 50 20 DBGD O=C(COc1ccc(B(O)O)cc1)NC(=O)NCC(F)(F)F 584909657 OMFUFDRIOJWBBZ-UHFFFAOYSA-N 320.032 -0.867 50 20 DBGD CC(C)(C)N1C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC1=O 584955986 VLNSPKLGOMXVFF-GFCCVEGCSA-N 304.155 -0.504 50 20 DBGD CN1CC[C@@H]2OCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@@H]2C1 584995928 ZSGZNDLZCLCWMV-KGLIPLIRSA-N 322.145 -0.949 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1sc(NC(C)=O)nc1C 727360582 CHAJKTRXIVQYSP-UHFFFAOYSA-N 321.384 -0.078 50 20 DBGD COC(=O)c1c(S(=O)(=O)NNC(=O)C2CCC2)n[nH]c1C 732047781 DPDBGCQMIXVFRX-UHFFFAOYSA-N 316.339 -0.386 50 20 DBGD COC[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736968785 TZVSXEHZXRIHMQ-MRVPVSSYSA-N 304.310 -0.090 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1 737975262 XBVSRIRPVJQQDM-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CSc2nc(N)n[nH]2)c1 741846907 ZCSLOFXSSMRRAG-UHFFFAOYSA-N 317.334 -0.188 50 20 DBGD CCN(CCS(C)(=O)=O)[C@H](C)C(=O)NNC(=O)CC(C)C 753203367 JYNNRYGIZXCHCQ-LLVKDONJSA-N 321.443 -0.065 50 20 DBGD CC[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCCO1 756739645 KPIYOVNEGUSQAC-QWRGUYRKSA-N 312.370 -0.103 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F 764299661 GVWLVUAXHRXKBL-UHFFFAOYSA-N 305.212 -0.164 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1OC 764300634 UTVYIEMCYLEZOF-UHFFFAOYSA-N 306.278 -0.701 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)C1(O)CCOCC1 771886474 YXLFKUMNKFTECA-UHFFFAOYSA-N 312.297 -0.107 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)C(C)(C)C)O1 774714435 BVBKXBSUYHJORQ-NXEZZACHSA-N 314.386 -0.001 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCC2)O1 774776062 PCPIHURSRNMYMX-WDEREUQCSA-N 312.370 -0.247 50 20 DBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 786851196 OGCPHPLDEXPRNX-ZJUUUORDSA-N 310.354 -0.952 50 20 DBGD CNS(=O)(=O)CC(=O)NNC(=O)Nc1ccc(OC)cc1 802058982 CFJWHKUSHXKDQF-UHFFFAOYSA-N 316.339 -0.603 50 20 DBGD Cn1cnc(S(=O)(=O)NCC(=O)NCCCSC#N)c1 819699049 RREQOZGQPOTTRS-UHFFFAOYSA-N 317.396 -0.581 50 20 DBGD O=C(Cn1nnc2c1CCCC2)NNC(=O)c1ccnnc1 848231282 WWRWZDRHJFSFLD-UHFFFAOYSA-N 301.310 -0.592 50 20 DBGD CNC[C@@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 851681656 QJLXCVKJOBPYIH-SECBINFHSA-N 318.341 -0.786 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)C2(n3cnnn3)CC2)cc1 854212488 MLCZGAWGXRCMPQ-UHFFFAOYSA-N 316.321 -0.303 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1 862123859 ZCSHZMINVIUGSH-NEPJUHHUSA-N 321.333 -0.122 50 20 DBGD CC(C)(C(=O)NNC(=O)c1cn[nH]c1)S(=O)(=O)C1CC1 862470499 QDMCACZZVXNTFQ-UHFFFAOYSA-N 300.340 -0.474 50 20 DBGD CCOC(=O)[C@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 863878426 FSPUXKZQNXDLLD-GFCCVEGCSA-N 309.102 -0.327 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](N2CCOC2=O)C1 863887141 VFCHVKJWEQJFAG-LBPRGKRZSA-N 304.111 -0.967 50 20 DBGD COCCOCC(=O)NNC(=O)CCCn1ccccc1=O 869910810 YGMNZIHUWYPNPE-UHFFFAOYSA-N 311.338 -0.561 50 20 DBGD Cn1nc(SCC(=O)NN=C2CC[C@@H]3C[C@H]23)c(=O)n(C)c1=O 872339579 QLXZZYBTCOAVFQ-SFYZADRCSA-N 323.378 -0.527 50 20 DBGD CCC(=O)NNS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 914746192 FXTKLJJSKXLZEC-UHFFFAOYSA-N 301.324 -0.486 50 20 DBGD CC(C)(C=NNC(=O)[C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O 1116380505 QFLSAPVXNPNALJ-MRVPVSSYSA-N 310.397 -0.654 50 20 DBGD O=C(NNC(=O)c1ccc2nc(O)oc2c1)C(=O)NC1CC1 1318035580 PTSVQXSZMZUUPE-UHFFFAOYSA-N 304.262 -0.427 50 20 DBGD CC#CCCCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320279694 LWQSZLZWWXCGDV-SNVBAGLBSA-N 301.368 -0.303 50 20 DBGD Cn1ccc(NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 1320979119 ZFTGKNVWGNTJCI-RBJBARPLSA-N 315.333 -0.330 50 20 DBGD Cc1ncccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1321630327 VYOHEKFURZVLFG-SECBINFHSA-N 312.351 -0.479 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 1323292148 PZPQPGCHURPDFK-SECBINFHSA-N 303.384 -0.106 50 20 DBGD CCNC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1 1326332438 GXZGSZYBJDYHQL-UHFFFAOYSA-N 300.340 -0.685 50 20 DBGD O=C(NNC(=O)N1CCN(C2CCOCC2)CC1)c1cn[nH]c1 1328803599 GHFLJWBDBHROTD-UHFFFAOYSA-N 322.369 -0.439 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)N=c1cc[nH]cc1 1329252745 IXDRBYWRUZVGQE-PSASIEDQSA-N 322.325 -0.705 50 20 DBGD COCc1nc(C(=O)NNc2ccc(C(N)=O)nn2)cs1 1340248892 JNDSNZPWHGMDFS-UHFFFAOYSA-N 308.323 -0.065 50 20 DBGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)N(C)C 1347479001 MWZDTLMXMZCMGQ-LLVKDONJSA-N 324.385 -0.215 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCN1CCc2ccccc21 1350977886 OQYUDYSQGWZXFD-UHFFFAOYSA-N 306.322 -0.448 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CN)N1Cc2ccccc2C1=O 1575820995 LEZFMKWASTVOBJ-ZDUSSCGKSA-N 304.350 -0.227 50 20 DBGD CO[C@@H]1COC[C@@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 1579867910 OZLWMLXYWXOQRM-WDEREUQCSA-N 319.325 -0.093 50 20 DBGD C[S@@](=O)CCNC(=O)NNc1ccc(-c2nn[nH]n2)cn1 1591684194 OBTUUEXVWBIWLU-OAQYLSRUSA-N 310.343 -0.734 50 20 DBGD O=C(CC1OCCO1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1592827025 KBUNYMQZVKVTEU-UHFFFAOYSA-N 318.293 -0.609 50 20 DBGD CO[C@](C)(C(=O)O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 1604464459 RWUYMNVXFRYJHB-LBPRGKRZSA-N 311.250 -0.155 50 20 DBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](C)O)C2 1846364862 NNWRVQCMMZGXNP-NXEZZACHSA-N 304.774 -0.176 50 20 DBGD O=C(NC[C@@H]1Cc2ccccc2O1)NNC(=O)C(=O)NC1CC1 46876994 PMEIFRHHUZHGHA-NSHDSACASA-N 318.333 -0.401 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)Cn2cnc3ccccc32)C1 81224378 MQASTWZAVQLKBJ-ZDUSSCGKSA-N 317.349 -0.486 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN(C)CC[C@H](C)O)n1 173563102 UWCQCFLBNFFPFS-JTQLQIEISA-N 314.411 -0.156 50 20 DBGD O=C1CN(CCNC(=O)NNc2ccc(Cl)nc2)CCN1 272759182 FTQAPEMWFQIKCV-UHFFFAOYSA-N 312.761 -0.207 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)O1 294318589 RYHAQPOOGBTZLJ-WPRPVWTQSA-N 324.293 -0.529 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccc(-n2cnnn2)c1 299365388 JULXTPOEKJSRGJ-UHFFFAOYSA-N 317.309 -0.651 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1CN2CCCN1CC2 367020684 NSJPWIRIUXCZKW-ZDUSSCGKSA-N 303.366 -0.839 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 367724257 KOOGOGKNXXUMGA-MRVPVSSYSA-N 311.725 -0.167 50 20 DBGD CN1C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1=O 494642790 ZJWTUVMEVHTRGG-QMMMGPOBSA-N 314.342 -0.863 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)COc1ccccc1O 730904149 NCGUNJOCGKNEJS-UHFFFAOYSA-N 310.310 -0.763 50 20 DBGD O=C(NCCN1CCCS1(=O)=O)NNc1ccc(F)cn1 731361448 JVZWZTHKEHEXIZ-UHFFFAOYSA-N 317.346 -0.118 50 20 DBGD CC(=O)NNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743285542 PXZAQASMPZRUNH-MRVPVSSYSA-N 324.362 -0.329 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cccc(C(N)=O)c1 748615577 RBGLPKFUMBRCKW-VIFPVBQESA-N 324.337 -0.010 50 20 DBGD COCC(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1C 761860951 FJGIIJQSLKRSLA-UHFFFAOYSA-N 305.298 -0.230 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C(=O)NCC(F)F 767887432 GQQZHDBLAAQRHT-UHFFFAOYSA-N 317.248 -0.700 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CCn2cnccc2=O)n1 794462608 RTRHHDBRAMDJHI-UHFFFAOYSA-N 301.306 -0.202 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCC(F)(F)C1 795080568 LEMKDZBHLFUKLB-BQBZGAKWSA-N 313.326 -0.493 50 20 DBGD CN(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 804030272 PNUABJDUYGYFGW-UHFFFAOYSA-N 314.367 -0.147 50 20 DBGD CN(C)CC(=O)NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 821583109 IVRGPOCKWVHYDM-UHFFFAOYSA-N 303.326 -0.882 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CCNC2=O)nc1C 831780081 OQVPYKBWNIFFHA-QMMMGPOBSA-N 307.310 -0.459 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ccc(OC)cn1 832648486 ACIBLZBJDCUYNL-MRVPVSSYSA-N 302.356 -0.139 50 20 DBGD Cn1cc(S(=O)(=O)NNC(=O)c2ccccn2)cc1C(=O)O 833054386 XKOFPPOYAREWHT-UHFFFAOYSA-N 324.318 -0.258 50 20 DBGD C[C@@H]1[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CCN1C 843889729 PROYXBVURWCNGL-IJLUTSLNSA-N 303.428 -0.181 50 20 DBGD CN(C)C(=O)NNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 845337652 ZZRYRMHUMADLKE-JTQLQIEISA-N 312.301 -0.781 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)C2(S(N)(=O)=O)CC2)cc1 845340217 PPGXKDZGUMXQET-UHFFFAOYSA-N 308.319 -0.860 50 20 DBGD C[C@]1(C(N)=O)CCN(C(=O)NNC(=O)c2cccc(F)n2)C1 852710183 LFLKUHORYDCOMJ-ZDUSSCGKSA-N 309.301 -0.228 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@H]1OC(C)(C)C 857116459 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DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 915261938 JSYJUUIDWXIEOA-CABZTGNLSA-N 321.333 -0.112 50 20 DBGD CCN1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 925982323 JBQWGIZCDJLOPD-QWRGUYRKSA-N 312.370 -0.103 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC2CCN(CC3CC3)CC2)N1 1118798322 BUOAEEQCQNGIME-GFCCVEGCSA-N 323.397 -0.530 50 20 DBGD Cn1cc(CC(=O)NNc2nccc(N3CCOCC3)n2)cn1 1319169536 RSYPNNJKOSIWFA-UHFFFAOYSA-N 317.353 -0.268 50 20 DBGD CCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 1320234878 KWHDDHKGBKJZPI-UHFFFAOYSA-N 318.333 -0.068 50 20 DBGD O=C(CCO)NNC(=O)Nc1cccc(N2CCNC2=O)c1 1320557535 NJGAAYWGHTVNST-UHFFFAOYSA-N 307.310 -0.249 50 20 DBGD CCN1CCC[C@@H]1CNC(=S)NNC(=O)C(=O)NC(C)C 1321527231 SKUWNKNIMQVZBF-SNVBAGLBSA-N 315.443 -0.509 50 20 DBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 1327085963 YWANBQXIGGZTEI-UHFFFAOYSA-N 304.310 -0.107 50 20 DBGD CS(=O)(=O)CCCNC(=O)NNC(=O)c1cccc(F)n1 1327526717 WURMIEGRZREVCS-UHFFFAOYSA-N 318.330 -0.401 50 20 DBGD NC(=O)CSCC(=O)NNc1nc(-c2ccncc2)no1 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305.356 -0.927 50 20 DBGD O=S1(=O)CCC[C@@H](NS(=O)(=O)CBr)C1 127469765 CLGMZNVOTWLOKV-ZCFIWIBFSA-N 306.203 -0.165 50 20 DBGD COCCN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 194592161 XLRNPVVHFIYKFT-UHFFFAOYSA-N 320.393 -0.288 50 20 DBGD CCOCCNC(=O)NNC(=O)CNC(=O)c1cccs1 263653911 CUHMTCWQTSYDGM-UHFFFAOYSA-N 314.367 -0.155 50 20 DBGD Cn1cc(N2CC[C@H](NC(=O)NNc3ncccn3)C2=O)cn1 265398131 OGVCXKUDAPZOLY-JTQLQIEISA-N 316.325 -0.358 50 20 DBGD CCNC(=O)N(C)NC(=O)CCn1nnc2ccccc2c1=O 271244766 BTHOSLRQPIWYJI-UHFFFAOYSA-N 318.337 -0.126 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNc1nc2ccccn2n1 276855056 JPEMFUDOBWKBNG-MRVPVSSYSA-N 312.355 -0.212 50 20 DBGD COC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 285576449 KAFZATVOAGJRLK-RKDXNWHRSA-N 323.305 -0.644 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)C(C)(C)O)C2 496175863 RVNHIRAUDQOVBR-GUBZILKMSA-N 311.338 -0.452 50 20 DBGD O=C1CN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H]2CCCC[C@H]2N1 584958904 UWBTZTNZFKTVSS-OLZOCXBDSA-N 320.129 -0.611 50 20 DBGD C[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C1=CCN(C)CC1 584971553 BIMSGRIEJPMGNZ-SNVBAGLBSA-N 306.146 -0.114 50 20 DBGD C[C@@H]1CN(C(=O)c2cccc(B(O)O)c2)CC2(CCOCC2)O1 584982922 KZAJFMNAWACEQC-GFCCVEGCSA-N 319.166 -0.224 50 20 DBGD CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584989461 OQLJNLFIROGIGZ-AWEZNQCLSA-N 318.182 -0.113 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCCN1CCCS1(=O)=O 728596371 HUTTVKDNJTZODL-UHFFFAOYSA-N 320.415 -0.212 50 20 DBGD CN(C)C(=O)NNC(=O)COCCNC(=O)OC(C)(C)C 732553926 SMUYYEPCDVYIDY-UHFFFAOYSA-N 304.347 -0.170 50 20 DBGD COCCCNC(=O)NNC(=O)Cn1cc([N+](=O)[O-])nc1C 743900875 LTSIZHKKVQCVEG-UHFFFAOYSA-N 314.302 -0.533 50 20 DBGD CC(=O)N[C@@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1 746548655 UDQOATFKIZBQAA-VIFPVBQESA-N 303.322 -0.451 50 20 DBGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2ccc[nH]2)C1=O 747663933 UJZXXKWCTHAENB-UHFFFAOYSA-N 321.337 -0.114 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)NC2CC2)c1 748704377 XVKUMBPHPZDGIZ-UHFFFAOYSA-N 318.380 -0.237 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 757806637 VFZDTAJPGBGJIZ-UHFFFAOYSA-N 305.254 -0.470 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCN2c2ncccn2)n[nH]1 763133707 AINHUSVXNMJMML-LLVKDONJSA-N 315.337 -0.062 50 20 DBGD CCc1ncc(S(=O)(=O)NNC(=O)N2CCOCC2)s1 763375018 TYQAKFLKZPNEPL-UHFFFAOYSA-N 320.396 -0.059 50 20 DBGD Cc1c(C(=O)NNC(=O)C(=O)NC2CC2)cnn1CC(C)C 766760634 ACMZUWKTCJKKBR-UHFFFAOYSA-N 307.354 -0.113 50 20 DBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccs1 806737788 WCJBCNAFCIOZHB-MRVPVSSYSA-N 324.362 -0.754 50 20 DBGD O=C(NNC(=O)c1cnc2[nH]c(O)nc2c1)C(=O)N1CCCC1 809643761 TWVLYOLODJSUEO-UHFFFAOYSA-N 318.293 -0.953 50 20 DBGD C=CCn1cc(CNC(=O)NNC(=O)[C@H]2CCCCO2)nn1 823808429 NDVPMSDYJPVXFV-LLVKDONJSA-N 308.342 -0.136 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cc1cccnc1 826123759 VRULOPDXDWPAIF-SECBINFHSA-N 314.367 -0.901 50 20 DBGD O=C1CC(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)=NN1 826479467 ZIPYAHZSUXYZRU-UHFFFAOYSA-N 321.688 -0.766 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)COCc1ccccc1 845547282 TXAUOAPRGZUTRN-UHFFFAOYSA-N 324.337 -0.399 50 20 DBGD Cc1nnc(NNC(=O)C2(n3cnnn3)CCCCC2)nc1O 846628128 NZYRUDAJPZOOLC-UHFFFAOYSA-N 319.329 -0.325 50 20 DBGD COc1cccc(NNC(=O)c2nc(N)nc(N(C)C)n2)n1 846639634 SHTMHZADJSDACS-UHFFFAOYSA-N 304.314 -0.320 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCC(N2CCOCC2)CC1 859354752 ALHOXSSMWPLPHI-GFCCVEGCSA-N 312.414 -0.271 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)nn1C(C)(C)C 862453154 SGFAPEVRIVQBLI-SECBINFHSA-N 307.354 -0.014 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCc2ccccc21 862453265 JXZNXYXGMJZTIE-PWSUYJOCSA-N 316.361 -0.136 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2ccc3c(c2)CCOC3)N1 862463455 DQCCJUHYBRRYQB-LBPRGKRZSA-N 303.318 -0.201 50 20 DBGD O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cccc(B(O)O)c1 863877671 DDLUGRNHXGYWKA-CYBMUJFWSA-N 305.139 -0.218 50 20 DBGD CNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 863882762 MKANLDKEXBZJNR-CYBMUJFWSA-N 320.154 -0.283 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ncc(Br)cn1 894135181 SAHJPDCRSQDAAG-UHFFFAOYSA-N 302.132 -0.438 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@H]2CCCCN21)C(=O)N1CCCC1 900455053 QPSVOMOYKHSDBN-VXGBXAGGSA-N 308.382 -0.227 50 20 DBGD CCn1nc(C)c(CC(=O)NNC(=O)C(=O)NC2CC2)c1C 1261246364 LSPDLYCQHFKUFE-UHFFFAOYSA-N 307.354 -0.512 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CO[C@@H]1CCOC1 1328624391 IDPVHIKWEQHHAU-SNVBAGLBSA-N 305.400 -0.334 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)NCCOCC(F)(F)F)N1 1329710463 LIFOWVMVMJJVIC-LURJTMIESA-N 312.248 -0.826 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNc1nccc(N2CCOCC2)n1 1331120068 INIJWYQPIDKBNY-VHSXEESVSA-N 320.353 -0.732 50 20 DBGD O=C(CN1CCC(CO)CC1)NNC(=S)NCC1CCC1 1337335114 VRPJSUWUQQPZQH-UHFFFAOYSA-N 314.455 -0.014 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](Cc1ccccc1)N(C)C 1339816903 DHCGPMBBPGZSCY-GFCCVEGCSA-N 322.365 -0.337 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@]12CNC[C@@H]1C2 1580551823 DHCZHBLAROBMSH-ISVAXAHUSA-N 308.363 -0.765 50 20 DBGD CC[C@H](CNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C(=O)O 1589538247 FXHAWJOXDQDMPJ-KCJUWKMLSA-N 307.372 -0.522 50 20 DBGD COc1ccnc(NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)n1 1594151190 XLJYSXYPLGJDDB-QMMMGPOBSA-N 323.309 -0.749 50 20 DBGD COc1cc(OC)cc(C(=O)NNC(=O)COCC(=O)O)c1 1599450126 BUBRIMUHRBFWJA-UHFFFAOYSA-N 312.278 -0.434 50 20 DBGD O=C(COCc1ocnc1C(=O)O)NNc1ncc(F)cn1 1601339819 ATFONKLFXJAQTA-UHFFFAOYSA-N 311.229 -0.038 50 20 DBGD CCOc1ccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)cc1OC 25395934 ACURAUBBQIMTTB-QMMMGPOBSA-N 324.337 -0.088 50 20 DBGD CCCN(CCO)CC(=O)NNC(=O)Cc1nc(C)cs1 97261988 BALATBHGVZFIST-UHFFFAOYSA-N 314.411 -0.154 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCS(=O)CC1 137094611 TYULLZCICYDMCP-UHFFFAOYSA-N 323.418 -0.251 50 20 DBGD CCCCNC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 138958138 UDDLMINJTKSBSF-MRVPVSSYSA-N 308.429 -0.348 50 20 DBGD COCCOCCC(=O)NNC(=O)COc1ccccc1O 264546013 OKAGLLWRUZTGIJ-UHFFFAOYSA-N 312.322 -0.029 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCOc1ccc(C=O)cc1 264580389 KCIORLHWLLYUEB-UHFFFAOYSA-N 321.333 -0.060 50 20 DBGD COC(=O)C[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 268662034 DSNCOPUNCAWRNO-SECBINFHSA-N 322.321 -0.842 50 20 DBGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nc1 273478153 KPYHHPSGNNNGRO-MRVPVSSYSA-N 315.355 -0.520 50 20 DBGD CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)CO)CC1=O 367892477 JPVXQCZNLAALCW-SNVBAGLBSA-N 321.333 -0.422 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H]1CCOC1 491549845 ODDWRIJKAAGYBK-VIFPVBQESA-N 316.358 -0.122 50 20 DBGD O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1cc(B(O)O)ccc1F 584962804 KTVJFPJZACUXRI-ONVGCPIPSA-N 307.130 -0.358 50 20 DBGD O=C([C@H]1COCCN1CC(F)(F)F)N1CC[C@@H](B(O)O)C1 585065243 WGHLLGMHTZGQPM-RKDXNWHRSA-N 310.081 -0.675 50 20 DBGD NC(=O)N[C@@H](CC(=O)NNC(=O)c1cnn[nH]1)c1ccccc1 729456864 LLCQZDXZYHIFNJ-VIFPVBQESA-N 317.309 -0.635 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)NC1CCCC1 730538410 QORQPZNSWKNUNH-UHFFFAOYSA-N 319.325 -0.656 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NCCn1ccnc1 730905511 ULZZXBKVVPKICP-UHFFFAOYSA-N 319.321 -0.002 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)CN1CCOCC1 739050787 YBNNGHGTGXPHNQ-LLVKDONJSA-N 324.385 -0.668 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1C[C@H]1C(=O)O 739297058 HKONDJVVSMBTAD-RNFRBKRXSA-N 311.319 -0.654 50 20 DBGD COc1cc(C(=O)NNC(=O)C(C)C)sc1S(N)(=O)=O 754185872 ZFAXTTNOMMTRJF-UHFFFAOYSA-N 321.380 -0.179 50 20 DBGD CC(C)CN1C[C@H](C(=O)NNc2ccc(C(N)=O)nn2)CC1=O 757402448 NBTXAUMTBZYXDG-SECBINFHSA-N 320.353 -0.477 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CCN1 760282581 PHXBIFZUNQRSJJ-VIFPVBQESA-N 309.297 -0.122 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1C)OCO2 764301765 FWMMRDGLPZDQNM-UHFFFAOYSA-N 309.278 -0.544 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(C(N)=O)CCC1 769098708 SUFPBCXLJJWVMW-VIFPVBQESA-N 313.354 -0.233 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1ccccn1 777473136 WYCONCGJPCSVGT-PNZRWIHMSA-N 316.317 -0.313 50 20 DBGD CCNC(=O)N(C)NC(=O)Nc1cc(C)n(CC(=O)NC)n1 785861957 KQGIXRRRUXTUMF-UHFFFAOYSA-N 311.346 -0.365 50 20 DBGD COCCCNC(=O)NNC(=O)Cc1nnn(C(C)(C)C)n1 823810138 ISJVWQHMAXZROG-UHFFFAOYSA-N 313.362 -0.663 50 20 DBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN(C)[C@@H](C)CO 823971524 WADWYACEBUQAGY-NWDGAFQWSA-N 321.443 -0.076 50 20 DBGD CN1C(=O)CC[C@H](NC(=O)NNc2cncc(Cl)n2)C1=O 824794818 WQJBOOALHMXMPC-LURJTMIESA-N 312.717 -0.097 50 20 DBGD CS(=O)(=O)c1ccccc1NNC(=O)C1(n2cnnn2)CC1 830426078 KVUXXRLPHAXLTA-UHFFFAOYSA-N 322.350 -0.291 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCCN1CCCC1=O 845476376 GAEYECWUBCDXPD-UHFFFAOYSA-N 305.338 -0.423 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 854922497 AMPPZYWZSRSJTN-SECBINFHSA-N 322.456 -0.486 50 20 DBGD O=C1N[C@@H](C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCO1 858122528 WNDQDXIIVNMRNL-LDYMZIIASA-N 321.289 -0.528 50 20 DBGD C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858418274 KEQWCCRFZACAPF-SCVCMEIPSA-N 310.354 -0.423 50 20 DBGD COc1cccc(C[C@H](O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 862461296 NGYHSOWBGCJOCM-NEPJUHHUSA-N 321.333 -0.975 50 20 DBGD CCn1c(S)nnc1CNC(=O)c1cccc(B(O)O)c1 863873669 GXYDIZPKCWXXRB-UHFFFAOYSA-N 306.156 -0.804 50 20 DBGD COC(=O)[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)CC1CC1 863886472 AXIPAHFZLVYZSB-SNVBAGLBSA-N 323.129 -0.175 50 20 DBGD COC(=O)[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C)C1 886373836 DVESEFRZFILBKT-ZYHUDNBSSA-N 305.139 -0.220 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc[n+]([O-])c2)C[C@H](C)O1 912921386 OUBODUKLTMIGGK-RYUDHWBXSA-N 322.365 -0.420 50 20 DBGD COc1ccc(NC(=O)NN[C@H]2CCS(=O)(=O)C2)cn1 918542508 ZECBXNDQBQZLLR-VIFPVBQESA-N 300.340 -0.097 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN1CCCC1=O 920433855 ZVNLFENLOLKZED-NSHDSACASA-N 324.381 -0.453 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)OC[C@H]1CCCCO1 921166973 VNNQQCOAYPBISN-WDEREUQCSA-N 315.370 -0.367 50 20 DBGD O=C(NN=Cc1cnc2cnccn12)N[C@H]1CCS(=O)(=O)C1 1252420746 QNLQOYBLBALHMC-VIFPVBQESA-N 322.350 -0.451 50 20 DBGD CCNC(=O)NNC(=O)c1coc(S(=O)(=O)N(C)C)c1 1253647291 WUHIIPPUZMNWLJ-UHFFFAOYSA-N 304.328 -0.506 50 20 DBGD C#CCNC(=O)C1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1261792473 YMAPEHKAFVYUAH-UHFFFAOYSA-N 318.337 -0.775 50 20 DBGD O=C(NNC(=O)[C@H]1CCCS1)N[C@H]1CCS(=O)(=O)C1 1318854407 ZHMWEHMRJIBMJK-JGVFFNPUSA-N 307.397 -0.601 50 20 DBGD Cc1cc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)ncn1 1319611267 LVRZZVKSLRLWRP-GFCCVEGCSA-N 313.383 -0.334 50 20 DBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCO1 1320192870 ZSDMTVXFSOBHSK-HBNTYKKESA-N 318.395 -0.226 50 20 DBGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccn(C)n1 1320239212 FVJJBQMLGIIHDK-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD CCc1nncn1CCNC(=O)NNC(=O)Cc1ccncc1 1320414556 AHEVYYKOLRPPPE-UHFFFAOYSA-N 317.353 -0.191 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 1323598347 SCXVJSWNTKQLMH-UHFFFAOYSA-N 310.335 -0.007 50 20 DBGD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNC(=O)C1CCC1 1323943300 DOVJYHXAOUGKQO-UHFFFAOYSA-N 318.333 -0.020 50 20 DBGD O=C(NCCCOC1CCOCC1)NNC(=O)c1cn[nH]c1 1331313129 TXJLGSGAOLWPQC-UHFFFAOYSA-N 311.342 -0.061 50 20 DBGD Cc1nc(N(C)C)sc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331802521 DUMKATYHZDWDHO-ZETCQYMHSA-N 311.367 -0.443 50 20 DBGD CO[C@]1(C(=O)NNc2ncccc2F)CCS(=O)(=O)C1 1334935113 SQNLROTUJMTXBN-LLVKDONJSA-N 303.315 -0.133 50 20 DBGD CN(C)N(C(=O)c1cc2n(n1)CCO2)[C@@H]1CCS(=O)(=O)C1 1347443225 XOSCUANJZGKJGZ-SECBINFHSA-N 314.367 -0.619 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nnn2C 1349136926 GPSGNRIGQYGFGK-UHFFFAOYSA-N 304.310 -0.290 50 20 DBGD CC(C)c1nccnc1NNC(=O)[C@H](C)N1CCNCC1=O 1575871462 ODSGCYDLSBYHRR-JTQLQIEISA-N 306.370 -0.137 50 20 DBGD CO[C@H](C(=O)NNC(=O)NC1CCNCC1)[C@@H]1CCOC1 1578890760 ANCNPAKGGDIFEG-KOLCDFICSA-N 300.359 -0.880 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N(C1CCNCC1)C1CC1 1580810017 BRDYBTKWCRXMQH-UHFFFAOYSA-N 306.146 -0.138 50 20 DBGD OB(O)c1ccc(CNCc2ccc(-c3nn[nH]n3)s2)cc1 1593498628 QREYDOXGCPKTMS-UHFFFAOYSA-N 315.167 -0.102 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@](C)(OC)C(=O)O 1593994410 CZPMKCKCQJDKTE-NSHDSACASA-N 307.372 -0.650 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(/C=C\C(=O)O)o2)nn1 1600932023 ITUFUUFYAMEEMU-HYXAFXHYSA-N 305.250 -0.419 50 20 DBGD COc1ccc(F)cc1S(=O)(=O)NNC(=O)NCC(=O)O 1607268166 OPZUYIYJJXKNQN-UHFFFAOYSA-N 321.286 -0.589 50 20 DBGD O=C(O)c1cnc(CCNCc2ccc(B(O)O)cc2)s1 1608970773 DCCWORPYGCNWMD-UHFFFAOYSA-N 306.152 -0.147 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 247638796 UNHBZXOYNQKZOD-KKJSVHSVSA-N 306.366 -0.016 50 20 DBGD CN1CC[C@@H](N(C)CC(=O)NNC(=O)c2ccccc2)C1=O 265662535 SUMSQASJXGNQPF-GFCCVEGCSA-N 304.350 -0.390 50 20 DBGD CN(CC(=O)NNc1ccc(C(N)=O)nn1)C(=O)OC(C)(C)C 268248774 OGLMROBOOSPGCF-UHFFFAOYSA-N 324.341 -0.115 50 20 DBGD COc1cccc(NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 273068445 ZNOGFRQNSMNNTN-NSHDSACASA-N 321.381 -0.057 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 276304839 UARZBUJZFWAQRO-UHFFFAOYSA-N 304.310 -0.742 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c1O 287369125 YZJADSOLEREGJB-UWVGGRQHSA-N 323.305 -0.805 50 20 DBGD Cc1cccc(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)c1C 368157430 DFAAZBYAPJZSIU-LLVKDONJSA-N 305.334 -0.204 50 20 DBGD O=C(Nc1cccc(B(O)O)c1)[C@@H]1COCCN1CC1CCC1 584914160 QQPIJPRQLDZRKN-HNNXBMFYSA-N 318.182 -0.194 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCN(c2ncc[nH]2)CC1 584983226 PQHFOVKQDGYCHD-UHFFFAOYSA-N 318.117 -0.809 50 20 DBGD CC1(C)CN(C(=O)c2cccc(B(O)O)c2)C[C@@]2(CCOC2)O1 584984370 UQAQAAZZZBKBEJ-MRXNPFEDSA-N 319.166 -0.224 50 20 DBGD C[C@H]1OCC[C@]12CN(C(=O)c1cccc(B(O)O)c1)CCO2 584985904 SDYNOCCKTSQYJD-ABAIWWIYSA-N 305.139 -0.614 50 20 DBGD CN1CC[C@@]2(CCN(C(=O)c3ccc(B(O)O)c(F)c3)C2)C1 584991730 GRFHNDLMVNLDAS-OAHLLOKOSA-N 306.146 -0.327 50 20 DBGD CNC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(B(O)O)cc1F 585030628 WKIKVKMSGYGLFM-JSGCOSHPSA-N 308.162 -0.100 50 20 DBGD Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@@H](B(O)O)C1)C2=O 585074165 JFWBTTHAICDMED-SNVBAGLBSA-N 316.122 -0.334 50 20 DBGD O=C1Nc2ccccc2O[C@H]1CC(=O)N1CC[C@H](B(O)O)C1 585074215 KGOLIYRYSAUSPE-CABZTGNLSA-N 304.111 -0.149 50 20 DBGD CCN(CCNC(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 726711131 HLZBDBFNPIDEKR-UHFFFAOYSA-N 313.402 -0.331 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 730842584 IQHQRMHSFXFNLD-UHFFFAOYSA-N 300.340 -0.394 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)CN(C)C(=O)O)c1 738106870 QLAAAOAOIBGJBD-UHFFFAOYSA-N 310.310 -0.136 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)[C@@H]1CCOC1 748632503 DTZXKPPVBBOUJX-HBNTYKKESA-N 303.359 -0.207 50 20 DBGD CC(C)C(=O)NNC(=O)NCC1CCN(S(C)(=O)=O)CC1 748827469 JNQHSHWLNYYCBE-UHFFFAOYSA-N 320.415 -0.356 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)cc(C)c1C 751720055 XJYHPVRERXNSGQ-UHFFFAOYSA-N 314.367 -0.085 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cnn(-c2cccnc2)c1 755280326 VMDMXUMLROAKLW-UHFFFAOYSA-N 311.305 -0.006 50 20 DBGD Cc1nc(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cs1 758045792 PJEWKNODEXRNJX-LURJTMIESA-N 320.396 -0.921 50 20 DBGD COCCC[C@@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758046722 JNUYHKYLTDHRQW-BDAKNGLRSA-N 309.388 -0.866 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)c1ccccn1 769676517 SZTGURWAQZVARA-UHFFFAOYSA-N 314.301 -0.022 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCn1ccccc1=O 772020335 JTGOFCSADKZDKT-JTQLQIEISA-N 309.322 -0.273 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)NC1 772023882 RAYRKGOHKFINMU-ZJUUUORDSA-N 313.354 -0.362 50 20 DBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NN(C)C(N)=O)c1 778412398 PAYHXFANYQUXJI-UHFFFAOYSA-N 300.340 -0.442 50 20 DBGD CCC[C@@H](C)C(=O)NCCNC(=O)NNC(=O)c1cnn(C)c1 814434982 PMGVOFVIQWKKPL-SNVBAGLBSA-N 324.385 -0.084 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1sccc1-c1nn[nH]n1 823273426 NCSYEKZDSLEVBU-SSDOTTSWSA-N 324.322 -0.895 50 20 DBGD O=C(NNc1cnc2ccccc2n1)[C@@H]1CCS(=O)(=O)N1 845945716 GJPWQVWEUOVYNR-JTQLQIEISA-N 307.335 -0.235 50 20 DBGD CNC(=S)N(C)NC(=O)c1cncc(N2CCOCC2)c1 854922696 FMPSMQRDEYVRPQ-UHFFFAOYSA-N 309.395 -0.001 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1C1CCCC1)c1cc[nH]n1 855356522 NTUDMQISUBJDMM-GFCCVEGCSA-N 307.354 -0.186 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCCO3)N1 860214483 IJOZNEQAVFBOIO-SECBINFHSA-N 320.305 -0.111 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@]2(O)CCc3ccccc3C2)N1 862463086 XVXOPTNCAVTUAE-WBMJQRKESA-N 317.345 -0.668 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccc2c(c1)OCO2 862463185 ZSBNJKMHJJKZLI-PSASIEDQSA-N 319.317 -0.055 50 20 DBGD COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(B(O)O)ccc1F 863878852 LMBBHQSHUNXVSQ-RNCFNFMXSA-N 323.129 -0.081 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1CCCNC1=O 865985563 RPASBPUNPPDNBM-LBPRGKRZSA-N 305.334 -0.123 50 20 DBGD CCON1CCC(CC(=O)NNC(=O)COCCOC)CC1 869905437 NBUNEEPDUNCPAI-UHFFFAOYSA-N 317.386 -0.150 50 20 DBGD C#CC1(O)CN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 934447398 UKGDUPDIAVFBSL-UHFFFAOYSA-N 307.737 -0.219 50 20 DBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1ccc2c(c1)OCO2 1116194531 QEQIKRNSEVCYEN-JTQLQIEISA-N 308.290 -0.018 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21 1116407609 PSHVSNNQPBUVBM-CSMHCCOUSA-N 319.408 -0.131 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 1318875969 CXDRYNXSLDIHSB-LURJTMIESA-N 312.248 -0.874 50 20 DBGD COc1ncncc1NC(=O)C(=O)NNc1nc(C)cc(C)n1 1320381005 KQXZRRASLBXOFX-UHFFFAOYSA-N 317.309 -0.026 50 20 DBGD N#Cc1ccc(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1321109349 CFZYLKNYURTBQV-LBPRGKRZSA-N 321.358 -0.317 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)NCC[C@@]1(O)CCCOC1 1328691029 ZNIKVLLPVHQBOH-AWEZNQCLSA-N 323.353 -0.229 50 20 DBGD Cn1cc(N2CC[C@@H](NCc3ccc(B(O)O)cc3)C2)cn1 1330609099 XQOKLWMSEYALHX-CQSZACIVSA-N 300.171 -0.532 50 20 DBGD CCn1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCCCO2)n1 1350156658 ZIICSFHSFOTJFV-VIFPVBQESA-N 309.326 -0.442 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)C12CC(CN1)C2 1575098533 FYHJAMGJXFDYCZ-UHFFFAOYSA-N 310.398 -0.172 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCO1)c1csc(-c2nn[nH]n2)c1 1582561699 RFKAWSGCOPUSDW-ZETCQYMHSA-N 324.322 -0.895 50 20 DBGD O=C(CN1CCC(O)(C(=O)O)CC1)NNC(=O)c1ccccc1 1601303697 CIEBVJLXLCIZOH-UHFFFAOYSA-N 321.333 -0.641 50 20 DBGD O=C(NCC1(C(=O)O)CCOCC1)NNC(=O)c1ccc[nH]1 1605762429 DZEPKRYGZQSHTQ-UHFFFAOYSA-N 310.310 -0.160 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnccc1-c1nn[nH]n1 1606014032 MMGXLYLYILEQKW-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD CS(=O)(=O)CCC(=O)NNC(=O)Cc1ccccc1F 66775585 GXHVHXMMXSLWSJ-UHFFFAOYSA-N 302.327 -0.050 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](O)C2)n1 96965887 XIHBBYVOHWSQPI-JTQLQIEISA-N 312.395 -0.402 50 20 DBGD O=C(NCCN1C(=O)CCC1=O)NNC(=O)c1ccccc1F 265073437 ZSWGHRAYLLLIFK-UHFFFAOYSA-N 322.296 -0.081 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(C#N)cc1 270356645 QFBWPAHSHFBWQG-UHFFFAOYSA-N 310.335 -0.741 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCc1ccco1 299590561 SUHZIYJEYOJVIT-QMMMGPOBSA-N 303.340 -0.703 50 20 DBGD CC(C)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584925997 WLHBXLNRMIPUCC-UHFFFAOYSA-N 308.162 -0.081 50 20 DBGD CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(B(O)O)cc1 584965408 QQGHIKKHOXECKU-STQMWFEESA-N 304.155 -0.599 50 20 DBGD O=S1(=O)CC[C@@H](Cc2nc(-c3cccc(B(O)O)c3)no2)C1 585052327 ZBNPPVHQUDBTIQ-VIFPVBQESA-N 322.151 -0.606 50 20 DBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O 729625618 ALWJEOYIODWOJX-OLZOCXBDSA-N 322.409 -0.123 50 20 DBGD COCCCNC(=O)NNC(=O)c1c(OC)ncnc1OC 732062185 BOAPQVWQHDPHEX-UHFFFAOYSA-N 313.314 -0.526 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732259991 MZLDJUHJJYVWCN-STQMWFEESA-N 314.430 -0.027 50 20 DBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)C(C)(C)C)cn1 743253279 MKLPMFFDKZHWSW-UHFFFAOYSA-N 318.355 -0.588 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=S)NC[C@@H]1CCOC1 749725005 ZVJHZMPQTYWTGW-UWVGGRQHSA-N 305.400 -0.430 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCNC2=O)cc1 759433066 HNEOJURYARZYAJ-GFCCVEGCSA-N 304.350 -0.424 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 765570195 WKQZKIGAOJCSBO-UHFFFAOYSA-N 322.350 -0.042 50 20 DBGD CC(=O)NCC(=O)NCC(=O)OC[C@@H](C)CBr 770348985 GWRFVYPONZZXLO-ZETCQYMHSA-N 309.160 -0.187 50 20 DBGD CC(C)[C@]1(C)C[C@@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 776139322 QEAABXCDKDXZPX-SBMIAAHKSA-N 305.400 -0.246 50 20 DBGD COc1cc(C(=O)NNC(=O)C(C)(C)O)cc2c1OCCO2 787944698 DTXWKYLIJPOMLG-UHFFFAOYSA-N 310.306 -0.002 50 20 DBGD CCOC1CC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 805167607 CKZKSGLKMMFFKK-HWOCKDDLSA-N 319.383 -0.681 50 20 DBGD Cc1nn[nH]c1C(=O)OCC(=O)NNC(=O)c1ccccc1 805547829 KSKOHMPZAVNZPP-UHFFFAOYSA-N 303.278 -0.269 50 20 DBGD CC[C@H](C)C(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807964302 CWSXMDRTQHQMDK-VIFPVBQESA-N 309.370 -0.354 50 20 DBGD Cn1ncc(C=NNC(=O)C2CCN(c3ncccn3)CC2)n1 814836953 BIINGBUXQYKSOM-UHFFFAOYSA-N 314.353 -0.028 50 20 DBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CC(=O)N1 832282918 FKFYGOHRLPIQTK-SSDOTTSWSA-N 313.335 -0.570 50 20 DBGD O=C(CCc1ccco1)NNC(=O)Cn1cc(C(=O)O)nn1 833103636 YNDLFZWQIYKVMW-UHFFFAOYSA-N 307.266 -0.651 50 20 DBGD O=C(Cc1cccc(C(=O)O)c1)NNC(=O)C(=O)NC1CC1 833765551 DGMRXNOJWVMHDW-UHFFFAOYSA-N 305.290 -0.647 50 20 DBGD O=C(NCC(=O)N1CCCCC1)NNC(=O)[C@@H]1CCCCO1 836237750 BPNFXRQZFKLYHW-NSHDSACASA-N 312.370 -0.102 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CCC1 843659724 YNKJBDKXSYEKQP-RKDXNWHRSA-N 304.368 -0.474 50 20 DBGD CCC(CC)(CO)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 847300319 XJIVDFFICAOKJW-VIFPVBQESA-N 306.384 -0.633 50 20 DBGD Cc1c(F)cccc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863411939 DDHJYWFSZWPPRW-VIFPVBQESA-N 315.326 -0.278 50 20 DBGD O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc(B(O)O)cc1 863877935 IXUKUFYZHZXTHZ-CYBMUJFWSA-N 305.139 -0.218 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN2C)C[C@@H](C)O1 895511947 ZJORLDBERCFOAL-FRRDWIJNSA-N 312.414 -0.273 50 20 DBGD CSCCNC(=S)NNC(=O)CNC(=O)N1CCCC1 901292709 VLURWTAFLVWHCI-UHFFFAOYSA-N 319.456 -0.350 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](N)[C@H](c2cnn(C)c2)C1 1118136359 GZTAFGGWPAHUID-ZMLRMANQSA-N 308.386 -0.908 50 20 DBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccnn1C 1252057236 OLOFHWKLUQDTTQ-UHFFFAOYSA-N 317.371 -0.966 50 20 DBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccnc1C(=O)O 1261630333 JRPFGJDEBUXXPX-UHFFFAOYSA-N 308.294 -0.088 50 20 DBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)c1cnn(C)c1)CC2 1320040519 WLYJBSJHQZMENT-VIFPVBQESA-N 303.326 -0.656 50 20 DBGD Cc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)co1 1324269264 IIMBTWSCWCRAAL-SECBINFHSA-N 301.324 -0.281 50 20 DBGD COc1ccc(NC(=S)NNC(=O)c2ncn(C)n2)cn1 1330914153 AQKLNSODGPECBY-UHFFFAOYSA-N 307.339 -0.150 50 20 DBGD CCS(=O)(=O)N1CCC(C(=O)NN(C)C[C@@H](C)O)CC1 1332149398 QZIPOFVPPHQYQR-SNVBAGLBSA-N 307.416 -0.608 50 20 DBGD Cn1cc(C(=O)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1 1338099139 YAFRUEMUYSCWOD-UHFFFAOYSA-N 317.261 -0.028 50 20 DBGD Cn1cnnc1COCC(=O)NNc1nc2ccccn2n1 1344085621 CFPCXOIKHUAVOS-UHFFFAOYSA-N 302.298 -0.482 50 20 DBGD CCNC(=O)NNC(=O)c1nnn(Cc2ccncc2)c1C 1345415621 PJQJWESHMMGIQB-UHFFFAOYSA-N 303.326 -0.006 50 20 DBGD C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)C(=O)Nc1ccccn1 1345781516 VQPHPSFLOBRTOB-DTWKUNHWSA-N 308.342 -0.524 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ncoc1C1CC1 1347630551 VJZONJYPMHOJDG-MRVPVSSYSA-N 313.335 -0.252 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCN2CC(F)(F)C[C@H]2C1 1349100728 YNMHNIQTVCGTTH-JTQLQIEISA-N 304.341 -0.185 50 20 DBGD CN(C)C(=O)O[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1351352966 NPRDYLJUZXYDDD-VIFPVBQESA-N 310.314 -0.463 50 20 DBGD O=C(NC[C@@H]1CNCCC1(F)F)NNC(=O)c1cn[nH]c1 1580663404 BWZLRQUVGHWKOH-QMMMGPOBSA-N 302.285 -0.402 50 20 DBGD CCOC(=O)NNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1590767608 YNYTVRZEWUIHRD-UHFFFAOYSA-N 312.311 -0.194 50 20 DBGD COCCOCC(=O)NNC(=O)C12CCC(C(=O)O)(CC1)C2 1599246680 CLWBRMXFDWAKDA-UHFFFAOYSA-N 314.338 -0.168 50 20 DBGD Cc1nnc(NNC(=O)c2cccc(-c3nn[nH]n3)n2)n1C 1606123981 DLXHWNBKKCXECK-UHFFFAOYSA-N 300.286 -0.544 50 20 DBGD O=C(c1cc[nH]n1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841348449 SBVFPCYHVWWESX-JTQLQIEISA-N 312.757 -0.174 50 20 DBGD C=CCOCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 273354566 BORYOKRGFUTMRY-VIFPVBQESA-N 307.372 -0.946 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cn(-c2ccccc2)nn1 299363177 JFDFXWDNXLURFT-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD CC[C@H]1C(=O)N(CC)CCN1C(=O)c1ccc(B(O)O)cc1 584974398 OFNAOBFRYYBCNL-ZDUSSCGKSA-N 304.155 -0.551 50 20 DBGD CC(C)[C@H](CNCc1ccc(B(O)O)cc1)N1CCOCC1 585015092 OHDUSPXCQYHJHO-INIZCTEOSA-N 306.215 -0.187 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCC1CCOCC1 725871086 GBJGVUXXQPHUGV-UHFFFAOYSA-N 324.337 -0.234 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnn[nH]2)c(N)c([N+](=O)[O-])c1 729541173 DPEOJYJFEUHYMN-UHFFFAOYSA-N 305.254 -0.322 50 20 DBGD CCn1cc(C#N)c(=O)n(CC(=O)NNC(=O)C(C)(C)C)c1=O 742452519 WBODTJMSZKHYNE-UHFFFAOYSA-N 321.337 -0.905 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)Nc1ccc2c(c1)OCO2 744450769 AUSOSWGYTUDRQI-LLVKDONJSA-N 309.278 -0.017 50 20 DBGD CCOCC(=O)NNC(=O)Nc1ccc(-n2nccn2)nc1 755947718 NUEFGZLEHHENIE-UHFFFAOYSA-N 305.298 -0.149 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1C(C)(C)C1(C)C 758040077 NSTMTBHTLDWONO-SSDOTTSWSA-N 305.400 -0.246 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 761135737 NWXPULXPZSTAKI-UHFFFAOYSA-N 303.322 -0.213 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 764204338 LVASJKANTQTCPY-UHFFFAOYSA-N 323.740 -0.141 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(OC(F)F)cc1 764422356 XMTSNSSIJBEAPT-UHFFFAOYSA-N 303.221 -0.634 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 764429785 YVYZCCGPWHNVBJ-UHFFFAOYSA-N 316.657 -0.674 50 20 DBGD COC[C@](C)(O)C(=O)NNc1ccccc1S(C)(=O)=O 766663369 POEQJEPKFHKMSR-LBPRGKRZSA-N 302.352 -0.069 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)Cn2cnc(C#N)n2)cc1 769044797 DJGLPGRZHAUJAB-UHFFFAOYSA-N 314.305 -0.315 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(C(N)=O)cc1 771946408 JRZRIZISUJBDJX-MRVPVSSYSA-N 307.306 -0.112 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 780711472 IPYONXBVJUQRQW-UHFFFAOYSA-N 317.371 -0.429 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 807381347 OOFWMPBDNTUULC-LBPRGKRZSA-N 319.365 -0.006 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](CC(=O)O)[C@@H]1C 814835507 SLLCVSZODOJPAA-CIUDSAMLSA-N 319.383 -0.083 50 20 DBGD Cn1c(C=NNC(=O)CC2CC2)nc2c1c(O)nc(=O)n2C 814988376 DOJULJOYKPUETL-UHFFFAOYSA-N 304.310 -0.377 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N1CCO[C@H](C(=O)O)C1 819165735 VJPOTTJQMJYHJY-JTQLQIEISA-N 308.294 -0.850 50 20 DBGD CN1CCCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 823014282 NSJPEGSSBWMRJM-RYUDHWBXSA-N 303.428 -0.037 50 20 DBGD Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)o1 823906114 TVZVFOVHZDWCKK-MRVPVSSYSA-N 308.294 -0.321 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNC(=O)CC2CC2)n1 824449787 YQHORSDUWZUQNF-UHFFFAOYSA-N 310.314 -0.206 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)CO1 825847918 QUMGPCYXZBFPAA-BDAKNGLRSA-N 310.310 -0.483 50 20 DBGD COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)CBr)C1 828382679 VXALYTSQZMEGHM-NKWVEPMBSA-N 316.173 -0.476 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1COCCN1CC(F)(F)F 830696588 HLFPJGAXWFJFNU-ZETCQYMHSA-N 313.276 -0.832 50 20 DBGD CCCNC(=O)NNC(=O)CC1CCN(S(C)(=O)=O)CC1 847393568 HKLNWQGOPDOJQL-UHFFFAOYSA-N 320.415 -0.212 50 20 DBGD CNS(=O)(=O)c1csc(C(=O)NN(C)CCOC)c1 848377190 AYZXMXRJWJFPAG-UHFFFAOYSA-N 307.397 -0.121 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCC(=O)N(C)CC2)cc1 852578134 UDJNVCXHIGSSSA-UHFFFAOYSA-N 318.377 -0.080 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 854162581 OALLLVKHIPFQRI-QMMMGPOBSA-N 322.387 -0.542 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1CCCCO1 854682656 DJIZXRUHQMTTMB-RKDXNWHRSA-N 307.372 -0.969 50 20 DBGD C=CC(=O)N(C)CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 858121635 JNGAKQMWZTZENN-LBPRGKRZSA-N 319.317 -0.382 50 20 DBGD Cc1nn(CC(=O)NNCC(F)(F)C(F)(F)F)c(=O)n1C 863102539 MLNRPYLEMYIHSD-UHFFFAOYSA-N 317.218 -0.291 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=O)CNc2ccccc2)C1=O 863852913 HVNWDXDUCJDFHG-UHFFFAOYSA-N 319.321 -0.860 50 20 DBGD CC(C)NC(=O)OC1CN(C(=O)c2cc(B(O)O)ccc2F)C1 863883358 XJILHLIMWXBHIY-UHFFFAOYSA-N 324.117 -0.536 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@]1(C)C[C@H]1Br 905361540 HHTVVOCCPVRJNP-LDWIPMOCSA-N 306.160 -0.168 50 20 DBGD CCCNC(=O)NNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 921041636 GNJXYYSYPRTDEX-AOOOYVTPSA-N 310.354 -0.098 50 20 DBGD CN1CC[C@H]1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 1122108678 MZHJMOBZIWANPO-GWCFXTLKSA-N 320.349 -0.139 50 20 DBGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)C2CC2)c1C 1320224029 JBISTSWMMCEZHM-UHFFFAOYSA-N 323.353 -0.358 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 1320231006 DYLSJDPANRLHSS-UHFFFAOYSA-N 319.321 -0.074 50 20 DBGD C[C@@H]1CN(C(=O)C(=O)NNC(=O)CCO)c2ccccc2O1 1320241470 UKLVUEUFVDPFDN-SECBINFHSA-N 307.306 -0.670 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1c(C)nn(CCOC)c1C 1320346532 CPIBBKUJMNXLQK-UHFFFAOYSA-N 311.342 -0.358 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 1320653247 RDWDSPWPRNJNPB-UHFFFAOYSA-N 314.363 -0.237 50 20 DBGD COC(=O)c1cnc(C(=O)NNc2nccnc2OC)cn1 1325525898 MVLFBHYBNCURNU-UHFFFAOYSA-N 304.266 -0.181 50 20 DBGD CCOC(=O)[C@H]1CNCCN1S(=O)(=O)CBr 1327609481 BDEOOEIWVYBEMV-SSDOTTSWSA-N 315.189 -0.495 50 20 DBGD CCNC(=O)NNC(=O)c1cc(OC)c(S(N)(=O)=O)s1 1332054294 XUBKSKLUDAZJAN-UHFFFAOYSA-N 322.368 -0.632 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)c2cnn(C)c2)C1 1333676676 GJHHMXBPWLJLJA-LBPRGKRZSA-N 304.354 -0.538 50 20 DBGD CCOC(=O)C[C@@H](NC(=O)NNC(=O)CCO)C(F)(F)F 1333917162 ACIJPTWJOANENE-ZCFIWIBFSA-N 315.248 -0.417 50 20 DBGD C[C@]1(C(=O)NNC(=O)C(=O)Nc2ccccn2)CCCOC1 1342052366 YBRKOOYJPBXOIJ-AWEZNQCLSA-N 306.322 -0.016 50 20 DBGD CN1CCC(=O)Nc2cc(C(=O)NNC(=O)[C@H]3CCN3)ccc21 1578523597 OIXCADCYBBWZEZ-SNVBAGLBSA-N 317.349 -0.412 50 20 DBGD Cc1c(C(=O)NNC(=O)c2cn[nH]c2)cccc1-c1nn[nH]n1 1580543828 SHGLDZCAGFYTMZ-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2coc(-c3nn[nH]n3)c2)cn1 1592565840 HVLBBSYWGOMRFE-UHFFFAOYSA-N 302.254 -0.732 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@@]2(C(=O)O)CCCO2)cc1 1605597351 NOLXROHWCQFPCO-CQSZACIVSA-N 303.274 -0.047 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)O)ccc1OC(C)C 1607674095 VSGPNAIDFXDJEP-UHFFFAOYSA-N 323.305 -0.047 50 20 DBGD COCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 5692511 LHHVCOBOKHYCHQ-UHFFFAOYSA-N 311.250 -0.455 50 20 DBGD CCc1nnc(SCC(=O)NNC(=O)C(C)(C)C)n1N 20843323 XVXXXLICRFCAIW-UHFFFAOYSA-N 300.388 -0.160 50 20 DBGD NC(=O)C1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 48615195 ZVKGBWNUUAWJMX-UHFFFAOYSA-N 304.350 -0.355 50 20 DBGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)NC1CC1 64427823 SWNUIERSEFSPDO-UHFFFAOYSA-N 323.353 -0.266 50 20 DBGD Cn1cc(C(=O)NNC(=O)Nc2nc3ccccn3n2)cn1 184332178 FTWDXESHDVXYQG-UHFFFAOYSA-N 300.282 -0.071 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)[C@H]2CCCCO2)C1 297441692 URIYTLUHOVBFGJ-SECBINFHSA-N 300.315 -0.664 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1CCCC1=O 299495545 JJEQBISKVKWFSU-GFCCVEGCSA-N 324.381 -0.597 50 20 DBGD O=C(CN1CCOC[C@@H]1C(=O)O)NNC(=O)c1ccccc1 388142165 PPDHNGFTVAYIER-LLVKDONJSA-N 307.306 -0.767 50 20 DBGD COCCN(CCCN(C)C)C(=O)c1cccc(B(O)O)c1 584945536 IQLAPCAEDSXIDG-UHFFFAOYSA-N 308.187 -0.593 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC(O)(C2CC2)CC1 585009450 WJWPLOWNBXOFDB-UHFFFAOYSA-N 307.130 -0.117 50 20 DBGD CSCCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 726278893 MSNSUNOFJUMMDR-UHFFFAOYSA-N 321.366 -0.031 50 20 DBGD CNC(=O)NNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 731472805 KNHQPQYPIKUFIO-UHFFFAOYSA-N 305.254 -0.251 50 20 DBGD O=C(NNC(=O)[C@]12CCC(=O)N1CCS2)N1CCOCC1 745987601 ASBIVAQVSPAYJM-GFCCVEGCSA-N 314.367 -0.875 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(C#N)c1 746846374 AOGNLTDJPSZBOZ-SECBINFHSA-N 309.347 0.000 50 20 DBGD CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1nccn1C 755698151 IQDVYVXOJRNDDL-QMMMGPOBSA-N 301.372 -0.412 50 20 DBGD CCC(=O)NNC(=O)Nc1cnn(CC(=O)NCCOC)c1 756845784 VAIBINPLMBEXJS-UHFFFAOYSA-N 312.330 -0.792 50 20 DBGD CC(C)Oc1cncc(C(=O)NNC(=O)C(=O)NC2CC2)c1 764609883 WAMCYMSQCNLERM-UHFFFAOYSA-N 306.322 -0.092 50 20 DBGD Cc1cc(C(=O)NNC(=O)COc2ccc(C(N)=O)cc2)n[nH]1 768278073 ZAHRVASVGPNZAD-UHFFFAOYSA-N 317.305 -0.343 50 20 DBGD CCOCC(=O)NNC(=O)NCCn1cc([N+](=O)[O-])cn1 769226086 PXVRDJHBXLYPIH-UHFFFAOYSA-N 300.275 -0.842 50 20 DBGD CC(C)c1nc(C#N)c(NNC(=O)CN2CCN(C)C(=O)C2)o1 780515652 HLYVVJCTLASSGW-UHFFFAOYSA-N 320.353 -0.113 50 20 DBGD CCOC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)C(C)C 788877053 SABKFYCWMDQCGC-JTQLQIEISA-N 300.359 -0.344 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 792146341 SFYPGTXVGYTGEY-MRVPVSSYSA-N 319.287 -0.016 50 20 DBGD NC(=O)C(=O)NN=C1C(=O)Nc2cccc(C(F)(F)F)c21 800804752 BXSLOFNCZDNIHB-UHFFFAOYSA-N 300.196 -0.037 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)Cc1ccccc1F 807553356 PSQVQKHAPRCMPA-UHFFFAOYSA-N 307.285 -0.662 50 20 DBGD CCn1nncc1C(=O)NNC(=O)Cc1cn2ccccc2n1 815740366 IDFOTSSCRVFHNM-UHFFFAOYSA-N 313.321 -0.051 50 20 DBGD O=C(CNC(=O)c1cccnc1)NN=C1CCN(CCO)CC1 819808896 IELBAONUACTABL-UHFFFAOYSA-N 319.365 -0.628 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@H](CO)[C@@H]1CCCOC1 827258902 GAQLWSKGEMSIEG-WHOHXGKFSA-N 315.370 -0.471 50 20 DBGD O=C(NCC1(C(=O)O)CCCC1)NNC(=O)[C@@H]1COCCO1 833136684 VCUQGSLGBBCAKD-VIFPVBQESA-N 315.326 -0.623 50 20 DBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843975621 SGDLMLSODPEOHM-GUBZILKMSA-N 300.359 -0.214 50 20 DBGD C[C@H]1CCNC(=O)[C@H]1NC(=O)NNC(=O)c1cccc(F)n1 852308393 DAFUBACMLWHJTR-XVKPBYJWSA-N 309.301 -0.311 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855832244 YRHRHVHHCNZMDE-UHFFFAOYSA-N 315.374 -0.995 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 858218841 WJHMAYTWVOMBMF-PHDIDXHHSA-N 312.248 -0.827 50 20 DBGD CSc1nsc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)n1 860747060 BVSOYFALEYMAFC-BYPYZUCNSA-N 316.368 -0.309 50 20 DBGD Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862455065 CWLHXCJJNYLPKS-VIFPVBQESA-N 306.278 -0.057 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H](O)c1ccc(Cl)cc1 863466491 UEFNBZZQRXBXGI-SNVBAGLBSA-N 320.754 -0.435 50 20 DBGD CCO[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCOCC2)[C@H]1OC 883584842 ZCUNNZGMRQABIX-QJPTWQEYSA-N 315.370 -0.064 50 20 DBGD COC(=O)NC1CCN(C(=O)NNC(=O)c2ncccn2)CC1 1118501405 BNZQXQQHAYWLQL-UHFFFAOYSA-N 322.325 -0.349 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)C(=O)N1CCCC1 1318736374 IHEIWHOJLJJVPO-VIFPVBQESA-N 305.338 -0.716 50 20 DBGD Cn1ccnc(NNC(=O)c2cccc3c2oc(=O)n3C)c1=O 1319615732 CMUTUDUHIJXONT-UHFFFAOYSA-N 315.289 -0.018 50 20 DBGD C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)[C@H]1CCOC1 1321313161 USPUNPQIGAZJPT-UWVGGRQHSA-N 324.337 -0.235 50 20 DBGD C[C@H](NC(=S)NNC(=O)CN1CCC(=O)NC1=O)C1CC1 1329350632 QZOODMAGUPDCRX-ZETCQYMHSA-N 313.383 -0.778 50 20 DBGD COCCOCC(=O)NNC(=O)c1cc2c(cn1)OCCC2 1332169671 CGIAJYTXQDOITP-UHFFFAOYSA-N 309.322 -0.169 50 20 DBGD CCn1cc(-c2nn(C)cc2C(=O)N2CC[C@H](B(O)O)C2)cn1 1335434284 VJYXUKXJLKTDEK-NSHDSACASA-N 317.158 -0.008 50 20 DBGD CCOCCO[C@@H](C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1337848456 JSURTZXMVLJZQD-VHSXEESVSA-N 322.383 -0.990 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1cccc(C#N)n1 1349152736 KZFFXMCPASSEAI-SCZZXKLOSA-N 317.305 -0.536 50 20 DBGD O=C(NN=C1CCN(CCO)CC1)[C@@H]1CN2CCC[C@H]2CO1 1549313914 JERMAYHWJYFBPM-KBPBESRZSA-N 310.398 -0.590 50 20 DBGD C[C@@H]1NCC[C@@H]1C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1576886975 WEKGMDNSDZUPSB-DRZSPHRISA-N 310.398 -0.615 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CC[C@@]2(CC(C(=O)O)=NO2)C1 1590940050 JZGHRQIYXOYSTG-CYBMUJFWSA-N 312.326 -0.905 50 20 DBGD CS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)O)s1 1599770115 WLUHBYQYXDATLQ-UHFFFAOYSA-N 321.336 -0.933 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)NC[C@H]1C[C@H]1C(=O)O 1601345292 YLEBBNSTMVNTMU-RKDXNWHRSA-N 323.305 -0.178 50 20 DBGD O=C(NNC(=O)[C@H](C(=O)O)C1CCCC1)[C@H]1COCCO1 1605814740 QXUROPKMDBPWKA-NXEZZACHSA-N 300.311 -0.560 50 20 DBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NN=C1CC(C(=O)O)C1 1776089982 PCMNYNBGAXYCRW-NETXQHHPSA-N 315.326 -0.161 50 20 DBGD O=C(O)Cn1cc(C=NNC(=O)c2ccc(C(=O)O)cc2)nn1 1776099811 AZDCTWWSGJMMCP-UHFFFAOYSA-N 317.261 -0.175 50 20 DBGD O=C([C@@H](F)Cl)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845065587 SDLLEWGVLNAQQS-LPEHRKFASA-N 319.764 -0.553 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)Cn1nc(C)cc1C)C(C)C 5704530 ZNSNXTWSPIVOFO-ZDUSSCGKSA-N 309.370 -0.192 50 20 DBGD CCOCC(=O)NNC(=O)NC1CCN(C(=O)OCC)CC1 66687674 XKCNDTLOZXNJLO-UHFFFAOYSA-N 316.358 -0.026 50 20 DBGD CCN(CC)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 111544314 OTWBMXMTTORIQO-BETUJISGSA-N 314.430 -0.025 50 20 DBGD O=C(CCNS(=O)(=O)CBr)N1CCOCC1 159646671 QBBYFURDVUDKCD-UHFFFAOYSA-N 315.189 -0.493 50 20 DBGD CCCN(CC(=O)NC)CC(=O)NNC(=O)c1ccccc1 182070359 BYLSOFLUQWIGIB-UHFFFAOYSA-N 306.366 -0.094 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 263929915 XGCDNEQWGZHMGO-UHFFFAOYSA-N 323.309 -0.966 50 20 DBGD Cn1c(NNC(=O)[C@H]2COCCO2)nc2ccccc2c1=O 264878576 CDLTWPWVDNHJDC-LLVKDONJSA-N 304.306 -0.208 50 20 DBGD COc1ccnc(NNC(=O)N[C@H](C)CS(C)(=O)=O)n1 265015351 LIQQPUMJAMWKHF-SSDOTTSWSA-N 303.344 -0.456 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O 269692236 HIUSPGZLKNDSEU-ZETCQYMHSA-N 316.310 -0.273 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2ccnc(N(C)C)c2)CC1 288055878 SLUIOBJOQMZSKZ-UHFFFAOYSA-N 306.370 -0.251 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)COc1ccccc1C=O 298149986 HTVSPYNSZPHDQR-UHFFFAOYSA-N 307.306 -0.450 50 20 DBGD COC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1Cl 495366808 ISLSCCGBHOTHDW-UHFFFAOYSA-N 307.715 -0.012 50 20 DBGD CCN1CCC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584969336 TYDPYGKBMONEFW-NSHDSACASA-N 308.162 -0.033 50 20 DBGD CN1C[C@H](N(C)C(=O)c2ccc(B(O)O)c(F)c2)CCC1=O 584993641 YOJILOZZQLHFGS-SNVBAGLBSA-N 308.118 -0.802 50 20 DBGD Cc1cc(Cl)c(S(=O)(=O)NCB(O)O)cc1[N+](=O)[O-] 585055551 DXZPSVMUQKQKQK-UHFFFAOYSA-N 308.508 -0.153 50 20 DBGD O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCB(O)O 585059026 XNIFSUZKZFYFTL-UHFFFAOYSA-N 308.187 -0.163 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=S)NCC1CCC1 728449842 OAAMYYWAVLMXRG-ZETCQYMHSA-N 308.429 -0.781 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O 728608442 ZKDKPHBWWQGMSA-SECBINFHSA-N 305.400 -0.006 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O 728608443 ZKDKPHBWWQGMSA-VIFPVBQESA-N 305.400 -0.006 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 732046195 NHLQBBQQAGDIRI-ZCFIWIBFSA-N 318.355 -0.140 50 20 DBGD COC(=O)NNC(=O)Nc1cnn(CCN2CCOCC2)c1 747563019 PBNBEDJNRLEUNS-UHFFFAOYSA-N 312.330 -0.392 50 20 DBGD C[C@@H](CO)CCCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1 759631258 ILQBUTHMKTWJBX-ZYHUDNBSSA-N 307.416 -0.224 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H](C)CS(C)(=O)=O)nc1 759739516 QHFRPNAGVRAWQZ-MRVPVSSYSA-N 315.351 -0.008 50 20 DBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)Cc1cccnc1 800329555 HRNGHJJODANSEK-NSHDSACASA-N 307.354 -0.146 50 20 DBGD CO[C@@H]1CCC[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 814380567 KAZDKKRXLWLYCG-GARJFASQSA-N 318.395 -0.226 50 20 DBGD Cn1cc(C=NNC(=O)N=c2cc[nH]cc2)c(=O)n(C)c1=O 815000952 RPSQQZYWRGVGQF-UHFFFAOYSA-N 302.294 -0.944 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 816814092 HYHDAIFGVUIBOZ-VDDIYKPWSA-N 319.317 -0.515 50 20 DBGD CC(=O)N1CCN(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)[C@@H](C)C1 827286649 AWGKJUFEYMJAIR-HOSYDEDBSA-N 312.370 -0.295 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)sn1 832674361 DHZFUFAAUNZTSO-HTQZYQBOSA-N 312.351 -0.038 50 20 DBGD Cn1nnc2c1CC[C@H](NS(=O)(=O)CBr)C2 848490554 IKYRIURAPQJBPY-LURJTMIESA-N 309.189 -0.056 50 20 DBGD NCCCC(=O)NNC(=O)Nc1ccc2c(c1)CCNC2=O 850754790 WJBHIMFURLMFNS-UHFFFAOYSA-N 305.338 -0.136 50 20 DBGD CNC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1C#N 851681058 MGRVGYICAFOLDK-SNVBAGLBSA-N 305.338 -0.125 50 20 DBGD COCC1(NCC(=O)NNC(=O)C(C)(C)C)CCOCC1 852089653 IGKQDSGVZGYKBC-UHFFFAOYSA-N 301.387 -0.035 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)/C=C\c1ccc(C(N)=O)o1 855007347 UZLVMHNBYMSGJR-KKTDHCNCSA-N 307.306 -0.036 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)CNc1ccc(OC)cc1 856791498 OMUWCWMYEVPRQS-GFCCVEGCSA-N 311.338 -0.084 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)N1 858593457 CRBKYKSGAVZQOW-IJLUTSLNSA-N 323.397 -0.388 50 20 DBGD CON=Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862449354 NRWMZGCOFVQDGP-NSHDSACASA-N 304.306 -0.294 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@H]1CCCNC1=O 864590708 OADRTRYVHKKGQN-VIFPVBQESA-N 302.400 -0.613 50 20 DBGD O=C1C[C@H](C(F)(F)F)[C@H](C(=O)NNC(=O)NC2CC2)CN1 874194226 TZPQMDHHXACAEG-RQJHMYQMSA-N 308.260 -0.206 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 915916212 NYDQUASXSIXBAM-NSHDSACASA-N 322.321 -0.707 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc2[nH]ncc12 918209161 LLUCWIUCOJCFIQ-MRVPVSSYSA-N 322.346 -0.241 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCO[C@@H](c2ccnn2C)C1 933541258 OCTDACRDENQDQW-GFCCVEGCSA-N 309.370 -0.403 50 20 DBGD CN(C)C(=O)CCNC(=O)NNc1nc(O)c2cnn(C)c2n1 1116319263 KQXVGQUYJJEJQJ-UHFFFAOYSA-N 322.329 -0.827 50 20 DBGD COC1(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCC1 1116771652 SRCVNBGQUJOPHI-VIFPVBQESA-N 304.368 -0.472 50 20 DBGD CNC[C@@H](C)NC(=O)NNC(=O)c1nnc(O)c2ccccc12 1118548601 OEEWQWZHQIMVIT-MRVPVSSYSA-N 318.337 -0.113 50 20 DBGD CO[C@H](C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1251620060 RJGRMQWTMIKKIN-SNVBAGLBSA-N 307.354 -0.125 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCc2nnc(C)n2C1 1253470951 LTDPAGCWWCXIFZ-SECBINFHSA-N 303.326 -0.358 50 20 DBGD C[C@H]1C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CCN1C 1318837740 OGJIWVLLVXFWMH-WDEREUQCSA-N 311.386 -0.578 50 20 DBGD CNC(=O)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 1319324138 HMEJAKMIBBCFLS-UHFFFAOYSA-N 308.342 -0.484 50 20 DBGD C[C@]1(NNC(=O)NCC2CCOCC2)CCS(=O)(=O)C1 1322213066 FJIKHJOZTFTJCQ-LBPRGKRZSA-N 305.400 -0.206 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(CCCCO)CC1 1324298689 NUHSABYVQNWHCS-UHFFFAOYSA-N 314.430 -0.430 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1332349161 WJVUXUQVQJHWOO-RITPCOANSA-N 317.289 -0.488 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)OC)c(C)c1 1338693632 JSCXSCKBQVQADE-UHFFFAOYSA-N 323.305 -0.347 50 20 DBGD NS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1COCCO1 1339454734 QEDLUIIUYYNFAW-VIFPVBQESA-N 301.324 -0.808 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)CCO)c(C)cc1C 1344451239 JVHZZDAUMXADFA-UHFFFAOYSA-N 309.322 -0.220 50 20 DBGD CN(C)c1noc(CNC(=O)NNC(=O)Cc2ccncc2)n1 1347422102 IMRUZDIOGMEANM-UHFFFAOYSA-N 319.325 -0.396 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(C2CCOCC2)nn1 1349433584 QSZUBIMZGPSCNP-KOLCDFICSA-N 323.353 -0.184 50 20 DBGD C[C@@H](C(=O)NN(C)C(=O)OC(C)(C)C)N1CCNCC1=O 1575069228 LDJDOQYYRLVYTR-VIFPVBQESA-N 300.359 -0.295 50 20 DBGD O=C(NNC(=O)[C@@H](O)C1CCC1)c1ccc(-c2nn[nH]n2)cc1 1593155000 UNKQNDJYAMVXFW-NSHDSACASA-N 316.321 -0.211 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1 1602948496 ARZWNNWSUONNIP-UHFFFAOYSA-N 303.282 -0.719 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1605698423 BVVINBXNFZLBHL-DTWKUNHWSA-N 323.305 -0.342 50 20 DBGD O=C(O)Cn1ccc(NC(=O)NNC(=O)[C@@H]2CCCCO2)n1 1606348701 GPDAYEAHRVZEPD-QMMMGPOBSA-N 311.298 -0.311 50 20 DBGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)C(=O)O)cc1F 1610291320 JEBMFCBEQGZLFM-UHFFFAOYSA-N 313.241 -0.687 50 20 DBGD COC(OC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847560431 YDYFVVZXWQHKLV-GUBZILKMSA-N 320.773 -0.593 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 36666188 XHQBERZPGBVBMQ-JGVFFNPUSA-N 312.301 -0.203 50 20 DBGD CCOC(=O)N[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)C(C)C 48104492 OFUIEXCSELPXMY-SECBINFHSA-N 314.342 -0.817 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(C)=O 265852234 DNDKOOLRVORLGS-NSHDSACASA-N 312.370 -0.551 50 20 DBGD Cn1c(=O)oc2c(C(=O)NNC(=O)N3CCOCC3)cccc21 270235948 PNFFDDDDDWIGQK-UHFFFAOYSA-N 320.305 -0.182 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)CNc1ccccc1 270483766 LBMIVHYVICLEDY-UHFFFAOYSA-N 308.338 -0.649 50 20 DBGD CC(=O)NCC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 273269958 QCNDNFNRPBHCMK-SSDOTTSWSA-N 302.331 -0.817 50 20 DBGD Nc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1[N+](=O)[O-] 299468104 FMYFCCDTETZIMW-UHFFFAOYSA-N 321.293 -0.440 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCn1ccnn1 492696524 OSVQWAPQXWWXTK-UHFFFAOYSA-N 312.330 -0.660 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)/C=C/c1ccc[nH]1 492890678 FDQKFDSODKSQOB-HQZHTGGTSA-N 300.340 -0.887 50 20 DBGD Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 584968843 FSQGWUSCKXXULH-GFCCVEGCSA-N 300.127 -0.528 50 20 DBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@@H](C(N)=O)C1 584973367 GXMPTOKWJJCVCV-PRHODGIISA-N 308.118 -0.769 50 20 DBGD CC(C)N1C[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)CC1=O 584995603 OJAGHDRIPKYRPQ-SNVBAGLBSA-N 322.145 -0.508 50 20 DBGD O=C(NC[C@@H]1CCCN1CCCO)c1cc(B(O)O)ccc1F 584995805 RPHLKXZQPWCDCS-LBPRGKRZSA-N 324.161 -0.918 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)C2(C(N)=O)CC2)cc1 731597269 IAPUTXOHQZBBAM-UHFFFAOYSA-N 302.290 -0.650 50 20 DBGD COc1ccnc(NNC(=O)NCc2ccc(C(N)=O)nc2)n1 753941535 UHWXGQWFKABRPL-UHFFFAOYSA-N 317.309 -0.195 50 20 DBGD O=C(NCCS(=O)(=O)CC1CC1)NNC(=O)C1CCC1 765959820 RGOZKUOWDCSSAU-UHFFFAOYSA-N 303.384 -0.058 50 20 DBGD O=C(O)CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 767071014 GNNBYMVMSMGDAL-UHFFFAOYSA-N 304.266 -0.712 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cn1 770215247 YGVMNOQDCCTTIZ-UHFFFAOYSA-N 323.334 -0.607 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCn1ccnn1 787626332 LEYQYXLVCYKQJM-SNVBAGLBSA-N 311.342 -0.207 50 20 DBGD O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COCCO1 823273502 PQQOLVOEWWGHST-NSHDSACASA-N 302.294 -0.268 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)N2CCOCC2)n1 824621783 XLHUELHZEFADGR-UHFFFAOYSA-N 311.346 -0.956 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COCC1CCCC1 839650086 NXVMXAPFJQKZQW-VIFPVBQESA-N 321.399 -0.722 50 20 DBGD COC(=O)c1ccc(NNC(=O)C2(S(N)(=O)=O)CC2)nc1 845889733 YPFCMRLYKJCEAX-UHFFFAOYSA-N 314.323 -0.868 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC(c3cccnc3)=NO2)N1 862459359 RWBNFFPKXAHQTB-MWLCHTKSSA-N 317.305 -0.999 50 20 DBGD C=CCOc1cccnc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862461313 NQEDGRGIMGPESM-SECBINFHSA-N 304.306 -0.314 50 20 DBGD COC(=O)C(C)(C)CCNC(=O)c1cc(B(O)O)ccc1F 863882899 OLJDJLCUFHOUEP-UHFFFAOYSA-N 311.118 -0.175 50 20 DBGD CN(C)CCn1nccc1C(=O)NNC(=O)N1CCN(C)CC1 908054735 IFNBBZWGDRLDGU-UHFFFAOYSA-N 323.401 -0.954 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 910162912 KXXDYBBKZKDJBM-QWRGUYRKSA-N 317.386 -0.034 50 20 DBGD O=Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cs1 1252776885 YBKGGZGEMKMWLD-ZETCQYMHSA-N 316.360 -0.244 50 20 DBGD COC(=O)NCc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1254889182 WFTJXUPVKAIUGU-UHFFFAOYSA-N 308.294 -0.352 50 20 DBGD O=C(NNC(=S)NCCCN1CCOCC1)c1cnccn1 1317741077 KTITZAZCVCRAQJ-UHFFFAOYSA-N 324.410 -0.692 50 20 DBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1ccccc1O 1318484095 UYHGZSQZGIZCQD-QMMMGPOBSA-N 315.351 -0.231 50 20 DBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@@H]1CCCOC1 1320793438 UJMCHIMDCROTDF-WDEREUQCSA-N 312.370 -0.246 50 20 DBGD CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 1321154260 OZEJLUPTOHVKEE-UHFFFAOYSA-N 321.337 -0.708 50 20 DBGD NC(=O)c1ccc(C(=O)NNC(=O)NCc2ccco2)cn1 1322077597 NYAMSVZAOPZRBJ-UHFFFAOYSA-N 303.278 -0.082 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)[C@@H]1CN(C)CCO1 1324115254 UXZRTPIMHVEUGM-KOLCDFICSA-N 310.358 -0.917 50 20 DBGD CNC(=O)CCCCC(=O)NNC(=O)Cn1nc(C)cc1C 1326203684 CCHDUMCOQWYWHF-UHFFFAOYSA-N 309.370 -0.046 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1CC12CCNCC2 1328252301 ZHVWXHMQDAUDPY-LLVKDONJSA-N 304.354 -0.019 50 20 DBGD Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cnn(C)c2)s1 1328654150 RTUAJUHZSJQLLO-UHFFFAOYSA-N 321.362 -0.019 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(S(C)(=O)=O)cc1 1330142336 IAVDIWMFPHQJFY-UHFFFAOYSA-N 318.376 -0.415 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)C1CCOCC1 1334102283 VHYUKQOMBCXIPG-UHFFFAOYSA-N 302.400 -0.567 50 20 DBGD Nc1cnnc(NNC(=O)NCC(=O)NCC2CC2)c1Cl 1337381426 NBOMCUPNGNPBFJ-UHFFFAOYSA-N 313.749 -0.136 50 20 DBGD CCONC(=O)CNC(=O)NNC(=O)c1ccc(OC)cc1 1349544438 FOGQIAYHAVTWST-UHFFFAOYSA-N 310.310 -0.293 50 20 DBGD CNNC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1578741401 NPUYVCNXBUPJPW-VIFPVBQESA-N 300.359 -0.295 50 20 DBGD NCCN1CCC[C@@H](C(=O)NNC(=O)c2ccncc2)C1=O 1580311401 SCZMLBXYMARQGO-NSHDSACASA-N 305.338 -0.960 50 20 DBGD COc1cc(C(=O)N2CC[C@H](B(O)O)C2)ccc1-c1nn[nH]n1 1591509800 AXDPRUHRRUIGOW-VIFPVBQESA-N 317.114 -0.436 50 20 DBGD CCCCNC(=O)NNC(=O)CN1CCC[C@@H](C(=O)O)C1=O 1595758408 BGDINNSZLUPFQS-SECBINFHSA-N 314.342 -0.560 50 20 DBGD COCCS(=O)(=O)CC(=O)NNc1cccc(C(=O)O)c1 1610263464 DNROLZOFBPQNGU-UHFFFAOYSA-N 316.335 -0.111 50 20 DBGD CC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796782069 MWBBEEQUTGDGIZ-OSUNSFLBSA-N 316.833 -0.072 50 20 DBGD COc1cccc(OCC(=O)NNC(=O)C(=O)NC2CC2)c1 48397752 KBOSNPUMGQQAGA-UHFFFAOYSA-N 307.306 -0.500 50 20 DBGD COC(=O)NCC(=O)NNC(=O)c1c(C)nc2ccccn12 53137706 YWEQNLOZMUDDCP-UHFFFAOYSA-N 305.294 -0.240 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cccc(-n3cnnn3)c2)cn1 117682082 UODNHGZNWZQKBZ-UHFFFAOYSA-N 312.293 -0.529 50 20 DBGD CN1CCC(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 266848631 QOJBZWOXMCPHGH-UHFFFAOYSA-N 324.406 -0.033 50 20 DBGD COC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccc(C)o1 266935391 GQNBXUTZHLPODE-JTQLQIEISA-N 324.337 -0.115 50 20 DBGD COc1cccc(NNC(=O)NCCC(=O)N2CCOCC2)n1 272462765 VKVLQWQVAXHPNA-UHFFFAOYSA-N 323.353 -0.035 50 20 DBGD CN1CCC(CCO)(NC(=O)c2ccc(B(O)O)c(F)c2)CC1 584971601 UTWHZPOHGYYMOZ-UHFFFAOYSA-N 324.161 -0.918 50 20 DBGD O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(B(O)O)c(F)c1 584997966 MKGZWRKOOIQEGR-ZWNOBZJWSA-N 320.129 -0.611 50 20 DBGD Cn1nccc1N1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585039170 PGCUKQBNNTTZHR-LLVKDONJSA-N 304.159 -0.549 50 20 DBGD O=C(CCn1c(S)nc2ccccc2c1=O)NCB(O)O 585060245 BHGNHCYDCQKMSW-UHFFFAOYSA-N 307.140 -0.797 50 20 DBGD O=C(NCB(O)O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 585061564 AEBHRMIHTAMOSI-UHFFFAOYSA-N 316.119 -0.992 50 20 DBGD COC[C@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 726081780 DUGXFSKBOQHBFL-QMMMGPOBSA-N 314.367 -0.157 50 20 DBGD CC(C)NC(=O)NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 745139905 ZEVIKXITNNLVFZ-UHFFFAOYSA-N 318.330 -0.175 50 20 DBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)C2CCCC2)CC1=O 746122729 YTNXJUVJRDEBMD-LBPRGKRZSA-N 310.398 -0.266 50 20 DBGD CCn1nnnc1-c1cccc(NC(=O)NNC(=O)CO)c1 756688210 YYMDZZBABDXKQK-UHFFFAOYSA-N 305.298 -0.495 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)C(F)(F)F 758034090 DMFVAQLJCNRRRL-UHNVWZDZSA-N 305.278 -0.730 50 20 DBGD O=C(NN=c1cc[nH]cc1Cl)C1=NN(CCO)C(=O)CC1 768443869 FAEXJIGMPGXDOD-UHFFFAOYSA-N 311.729 -0.429 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1(O)CCOCC1 773634103 MRILICHDYLONMF-UHFFFAOYSA-N 317.342 -0.800 50 20 DBGD COC(=O)c1c(F)cccc1NNC(=O)Cn1ncn(C)c1=O 773642194 YAXWTZXHSDYFBZ-UHFFFAOYSA-N 323.284 -0.349 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@]1(O)CCSC1 778438326 UHNGRADDZFPHBV-GFCCVEGCSA-N 319.383 -0.474 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798309469 GBCQWSWVMJSGRF-UHFFFAOYSA-N 320.349 -0.084 50 20 DBGD CC(C)C(=O)NNC(=O)CN(C)[C@H](C)CN1CCOCC1 829321736 HZZAJUZGAFJLJY-GFCCVEGCSA-N 300.403 -0.558 50 20 DBGD CCNC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 843774900 JDCUJVBNJREECX-UHFFFAOYSA-N 318.330 -0.546 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)C1(n2cnnn2)CCCCC1 844620153 RIBKCCNLTKDSFM-MNOVXSKESA-N 322.369 -0.095 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@@H](N3CCCCC3)C2)N1 858696527 JSECJELEWRGJNB-NEPJUHHUSA-N 323.397 -0.434 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N[C@@H]2COCc3ccccc32)N1 858702814 OFSOAAQYUPLJSP-NWDGAFQWSA-N 318.333 -0.133 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 859193006 KECUGVQNNKRTBF-WDEREUQCSA-N 302.290 -0.648 50 20 DBGD C[C@@]1(C(=O)N2CC(NS(C)(=O)=O)C2)C[C@H]1Br 913009193 CIONLCZQZNTWSD-VXNVDRBHSA-N 311.201 -0.080 50 20 DBGD O=C(NNC(=O)c1cc2c(cc1O)OCO2)C(=O)NC1CC1 1115855996 ZHQKZDJSLUWVJK-UHFFFAOYSA-N 307.262 -0.840 50 20 DBGD O=C(NC[C@H]1CCN(C2CC2)C1)NNC(=O)C(=O)N1CCCC1 1115925599 QETSBJRIJUGPAY-LLVKDONJSA-N 323.397 -0.577 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)C(=O)NC1CC1)CCCC2 1116304139 ZUNCUOHZUYGPJQ-UHFFFAOYSA-N 305.338 -0.662 50 20 DBGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1116598714 SYKNNUAKIZBZTQ-UHFFFAOYSA-N 322.321 -0.693 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(Cl)nc1 1319234707 AUQHGHCSMVJSAS-UHFFFAOYSA-N 300.702 -0.219 50 20 DBGD CCONC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1320426622 PXAKIWNMFDYXBS-UHFFFAOYSA-N 308.342 -0.025 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(C(N)=O)C1 1320492783 XYVMDVZYIIBWJN-RKDXNWHRSA-N 314.342 -0.734 50 20 DBGD Cc1nccn1CCCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1328782721 GVHZFBBKWCPMFJ-NSHDSACASA-N 322.369 -0.419 50 20 DBGD COC(=O)C[C@H](C)CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1329716914 VOPZJTAGALTPBT-BDAKNGLRSA-N 320.367 -0.842 50 20 DBGD COCCCn1cc(C(=O)NNc2ccc(C(N)=O)nn2)cn1 1331869624 UULKBUWWDPOLJD-UHFFFAOYSA-N 319.325 -0.435 50 20 DBGD Nc1cnnc(NNC(=O)NC[C@@H]2COCCO2)c1Cl 1333465919 MVCDIAGYTDMQII-ZCFIWIBFSA-N 302.722 -0.246 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H]1COC2(CCCCC2)O1 1337263505 NJOQLZQECCVNIR-SECBINFHSA-N 315.326 -0.434 50 20 DBGD O=C(NNC(=O)[C@H]1CC12CCC2)N[C@@H]1CCS(=O)(=O)C1 1340325037 PEQXLUGSDKXZLG-RKDXNWHRSA-N 301.368 -0.306 50 20 DBGD CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NNC(=O)CN 1575208437 KJKZMQVADOOVHE-ZCFIWIBFSA-N 310.301 -0.359 50 20 DBGD O=C(NNC(=O)c1cnns1)c1ccc(-c2nn[nH]n2)cc1 1593159395 KPPZJCCTYHICHO-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)NNC(=O)C(=O)O 1609768952 RKHSWHUJBQASOR-RQJHMYQMSA-N 318.330 -0.297 50 20 DBGD CO[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C(=O)O)C1 1610236151 AXYAMFUGJGUEAT-ZJUUUORDSA-N 315.370 -0.256 50 20 DBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)c1ccncc1 15628366 XXGCFWOZGGNKMI-UHFFFAOYSA-N 324.300 -0.352 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2cnnn2)c1 70695348 FENJMEDXGJAKNA-UHFFFAOYSA-N 304.310 -0.484 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C1 174686899 PBCJGRWUUOALPB-LBPRGKRZSA-N 317.349 -0.645 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1 263797785 JEICURMIKNITAD-UHFFFAOYSA-N 308.294 -0.191 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cn1 265366993 YKYXNOSBRREZJJ-ZANVPECISA-N 323.378 -0.365 50 20 DBGD CCCNC(=O)CCC(=O)NNC(=O)C(=O)NC(CC)CC 265902568 VOEKXWILHNVPNF-UHFFFAOYSA-N 314.386 -0.255 50 20 DBGD CC(C)N1C(=O)C[C@@H](NS(=O)(=O)CBr)C1=O 272799974 LCAAEWFOYUDDDN-ZCFIWIBFSA-N 313.173 -0.206 50 20 DBGD COc1ncc(/C=C/C(=O)NNC(=O)N2CCOCC2)cn1 492677899 IPOHNIVFLBLLPZ-NSCUHMNNSA-N 307.310 -0.429 50 20 DBGD O=C(NC[C@@]1(CCO)CCOC1)c1ccc(B(O)O)c(F)c1 584959467 HGDWMTSEGNLWQF-CQSZACIVSA-N 311.118 -0.976 50 20 DBGD OC[C@@H](C[C@H](O)c1ccccc1)NCc1ccccc1B(O)O 585035424 UFNMYUFOHMSYSK-WBVHZDCISA-N 315.178 -0.059 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccccc1-n1cnnn1 730091025 YXAFZKMMQORWOD-UHFFFAOYSA-N 312.293 -0.611 50 20 DBGD CN(CC(=O)NNC(=O)CCc1ccccc1)S(C)(=O)=O 749801330 ZVQHLIOZEIMZRM-UHFFFAOYSA-N 313.379 -0.342 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC12CCCC2 758028089 BYMOBQBHGYKIEX-RKDXNWHRSA-N 303.384 -0.348 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 764211205 JYPAOBWNSJFFKF-UHFFFAOYSA-N 304.310 -0.790 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(CCN(C)C)cc1 764302925 PYLZNLKNDIHMNE-UHFFFAOYSA-N 322.365 -0.477 50 20 DBGD C[C@H]1C[C@@H]1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764818961 YDLBIYSWHKJPLK-DTWKUNHWSA-N 318.337 -0.808 50 20 DBGD CC(C)CN1N=C(C(=O)NNC(=O)C(=O)NC2CC2)CCC1=O 766632524 RAXNSMBYYKAJMO-UHFFFAOYSA-N 323.353 -0.953 50 20 DBGD Cn1nncc1NNC(=O)Cn1nnc2ccccc2c1=O 816769779 VWJZSYAWMKVQKN-UHFFFAOYSA-N 300.282 -0.937 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 823970961 NJMMMRXBBWHPPD-DTWKUNHWSA-N 321.424 -0.241 50 20 DBGD O=C(CCc1ccccc1)NNC(=O)[C@@H]1CC(=O)NC(=O)N1 825089778 JDJLULGIRAELNZ-JTQLQIEISA-N 304.306 -0.635 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ncc1C(N)=O 843656206 AFWQUAXWQKIXAW-IUCAKERBSA-N 306.322 -0.325 50 20 DBGD CNC(=O)NNC(=O)CNS(=O)(=O)c1cc(C)ccc1C 843773679 HWZOPLBKTRJHSE-UHFFFAOYSA-N 314.367 -0.458 50 20 DBGD CCN1C[C@@H](CNC(=O)NNC(=O)Cc2ccncc2)CC1=O 845492085 DYRGJOVZXMVYEO-GFCCVEGCSA-N 319.365 -0.177 50 20 DBGD Cn1c(NNC(=O)[C@H]2CC[C@H]2C(N)=O)nc2ccccc2c1=O 847493380 SEVMVEWSMIGYDO-BDAKNGLRSA-N 315.333 -0.112 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccncc1 854118121 GOIURBJSESPZLR-MRVPVSSYSA-N 300.340 -0.830 50 20 DBGD NS(=O)(=O)CCOCCNC(=O)NNc1ccccc1 854136939 OWHQYQLPFTVFRT-UHFFFAOYSA-N 302.356 -0.382 50 20 DBGD C[C@H](C(=O)NNC(=O)OCC(F)(F)F)N1C(=O)CCC1=O 856025558 UDEMVDFGLOUVRI-RXMQYKEDSA-N 311.216 -0.156 50 20 DBGD CN(C)C1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCC1 858272857 OLIDKIOAOWAGEQ-SNVBAGLBSA-N 311.386 -0.530 50 20 DBGD CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1(C)C 858347946 JOQNPWCXQUIQGB-DEKFOEGESA-N 312.370 -0.345 50 20 DBGD COCc1cnc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)s1 861101929 PTWKACZNTTXGQV-SSDOTTSWSA-N 313.339 -0.279 50 20 DBGD O=C(NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)c1cn[nH]c1 862467498 XDEMOLLGAAAQNY-CQSZACIVSA-N 305.338 -0.133 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C 871595885 WZBSPSYBBMBYEG-QMMMGPOBSA-N 300.359 -0.791 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)N=c2cc[nH]cc2)C1 1119310372 ZCHSHJHXIOKINJ-ZDUSSCGKSA-N 316.365 -0.063 50 20 DBGD CO[C@H]1Cc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc2C1 1254905983 WWVUPKWISQTFPQ-LBPRGKRZSA-N 321.333 -0.732 50 20 DBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc2nc(C)nn2c1 1261203161 QQQQJRSZSBQYKG-UHFFFAOYSA-N 306.282 -0.246 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C 1320579648 FKQKSNYRWYZRLU-UHFFFAOYSA-N 313.697 -0.093 50 20 DBGD Cc1nnc(NNC(=O)CS(=O)(=O)C(C)(C)C)nc1O 1323286434 XARGDCSAJJNVNI-UHFFFAOYSA-N 303.344 -0.458 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1326751647 HRFPBDHTSHYCOV-SECBINFHSA-N 307.372 -0.822 50 20 DBGD CC(C)CN1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1=O 1329192997 JVEBBLFWEJXYPF-UHFFFAOYSA-N 308.342 -0.436 50 20 DBGD O=C(NNC(=O)c1cn[nH]c1)Nc1ccnc(-c2nn[nH]n2)c1 1582561565 LISFYHUTDSQJOH-UHFFFAOYSA-N 314.269 -0.549 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)C(=O)O)c(N2CCCC2)n1 1600416961 ZQCMHJZREWZYHH-UHFFFAOYSA-N 321.337 -0.095 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 1601313354 NXDINJGHUYQCGT-UWVGGRQHSA-N 311.338 -0.353 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNc1nc2ccccn2n1 1608376495 GANZNGGFUOORLG-UHFFFAOYSA-N 302.254 -0.838 50 20 DBGD O=C(C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2)C1CC1 1841304336 LBZVETWLUMZBET-JTQLQIEISA-N 314.769 -0.231 50 20 DBGD O=C(NNC(=O)c1ccsc1)N[C@@H]1CCS(=O)(=O)C1 48952855 WCZKQBHKKVBQSR-MRVPVSSYSA-N 303.365 -0.121 50 20 DBGD COCCCNC(=O)NNC(=O)CNC(=O)c1ccccc1 65623974 HSBVTSNUZDOIJF-UHFFFAOYSA-N 308.338 -0.217 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cnccn2)C[C@H](C)O1 68194848 WDNQXADDLSKWGE-QWRGUYRKSA-N 307.354 -0.263 50 20 DBGD Cn1cnn(CC(=O)NNc2ccc(C(F)(F)F)nn2)c1=O 182674987 BFBCHLXAMMJQTE-UHFFFAOYSA-N 317.231 -0.466 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN(C)CC#N)cc1OC 263904051 DFXNNUHKSUKNBA-UHFFFAOYSA-N 306.322 -0.080 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNC(=O)NC2CCCCC2)c1=O 298421091 QPWWFYDFARBSEV-UHFFFAOYSA-N 323.353 -0.790 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)N[C@H]2CN(C)NC2=O)cc(C#N)n1C 490813485 PRFUTFWBHNPJBF-KPVYPLCOSA-N 312.333 -0.426 50 20 DBGD CCCCOCCOCCNC(=O)c1cccc(B(O)O)c1 584953766 GKHJZMONEDNYGV-UHFFFAOYSA-N 309.171 -0.071 50 20 DBGD O=C(CNC(=O)c1ccc(Br)cc1)NCB(O)O 585062346 GBNAZVAAZMKYEH-UHFFFAOYSA-N 314.932 -0.693 50 20 DBGD CCNS(=O)(=O)CCNC(=O)NNc1nccc(OC)n1 731758675 FJVOCYDGNHXVDA-UHFFFAOYSA-N 318.359 -0.949 50 20 DBGD CN(CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C1CC1 732891512 LCAMGGMVTRLPEE-GFCCVEGCSA-N 304.416 -0.538 50 20 DBGD CCCC[C@@H](COC)NC(=O)NNC(=O)C(=O)NC1CC1 737061109 IKSRRKCIITWUQG-JTQLQIEISA-N 300.359 -0.199 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1cnccn1 743412413 JASNQGWMFSWFBA-FUAUIPCOSA-N 317.305 -0.918 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)Nc1ccc(N(C)C)cc1 743826962 UGLSCAYEEOTJEB-QMMMGPOBSA-N 308.342 -0.038 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)c1ccc2c(c1)OCO2 750607206 SHWQQLODSGUKGS-UHFFFAOYSA-N 303.278 -0.073 50 20 DBGD O=C(NNC(=S)NC[C@@H]1CCCCO1)C(=O)NC1CC1 758185910 UPQXZUDGSXTLJK-VIFPVBQESA-N 300.384 -0.671 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2cccnc12 764299922 PJWHDLAXKBKLEY-UHFFFAOYSA-N 302.290 -0.033 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(OC)cc(OC)c1 764300174 MDTUKOMJEYNIHE-UHFFFAOYSA-N 311.294 -0.564 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1ncnc2ccsc12 766694455 XDNRWGIXGHTBTP-UHFFFAOYSA-N 322.350 -0.613 50 20 DBGD CCNC(=O)CC(=O)OCC(=O)NNC(=O)c1ccccc1 782345606 WOWFHNNVBKQQMA-UHFFFAOYSA-N 307.306 -0.483 50 20 DBGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1OCCO 798342994 RRYBGBOWTJQMFC-UHFFFAOYSA-N 312.322 -0.402 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnc(C)nc1N 807369719 HMSGDHKEIRZHMF-UHFFFAOYSA-N 311.342 -0.083 50 20 DBGD CCc1ccc(C(=O)NNC(=O)Cn2nc(C)n(C)c2=O)cc1 846772793 ABCHAUULOONMRR-UHFFFAOYSA-N 317.349 -0.086 50 20 DBGD COC[C@]1(CO)CCN(S(=O)(=O)CBr)C1 849397489 SCCZIVKHCFQGAX-MRVPVSSYSA-N 302.190 -0.001 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 854121236 ADTMSGJXLKGLDC-LLVKDONJSA-N 306.278 -0.023 50 20 DBGD Cc1ccc(S(=O)(=O)NCC(=O)NNc2cnnn2C)cc1 857272143 HPIJDJHQZQDMCX-UHFFFAOYSA-N 324.366 -0.455 50 20 DBGD C[C@@H](CCc1cccn1C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858252609 MKMYCMDBUHMQIG-CMPLNLGQSA-N 321.381 -0.045 50 20 DBGD CC[C@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCOCC1 858696094 INFBRFBNQHRZMU-QWRGUYRKSA-N 312.370 -0.199 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=O)OCC(F)(F)F)C1=O 862216017 ITMMHOCGUVBJPX-UHFFFAOYSA-N 312.204 -0.800 50 20 DBGD O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1CCC(=O)N1 862456039 LWMMQJAIEHNRLZ-JTQLQIEISA-N 306.278 -0.437 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCN(c3ccccc3)C2)N1 862462865 ZNHXZUCTCDGWKC-AAEUAGOBSA-N 316.361 -0.061 50 20 DBGD CC(C)(C)S(=O)(=O)CCNC(=O)c1cccc(B(O)O)c1 863873036 UDXNEPDDBOFOFN-UHFFFAOYSA-N 313.184 -0.691 50 20 DBGD CN1C(=O)C(=CNNC(=O)CC(F)(F)F)C(=O)N(C)C1=O 917604819 LRGZWVUVUIISDU-UHFFFAOYSA-N 308.216 -0.506 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)NC[C@H]1COCO1 923861516 RLLHWRXULJNKPG-VIFPVBQESA-N 313.285 -0.092 50 20 DBGD CC1(C)CNC(=O)[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1 931660614 JNXSTEYYCOBOPQ-LBPRGKRZSA-N 322.340 -0.299 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(C2CC2)no1 1116908723 JWAYTJFMKSIDDZ-QMMMGPOBSA-N 313.335 -0.252 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](Cc1ccccc1)OC 1117812584 OFPRDYDBDOSROZ-LLVKDONJSA-N 309.322 -0.253 50 20 DBGD C[C@@H]1CCN(CC(=O)NNC(=O)C2CC2)CCS1(=O)=O 1255807785 VWFSTAYQZMMIPI-SECBINFHSA-N 303.384 -0.947 50 20 DBGD Cc1csc(CCC(=O)NNC(=O)CS(C)(=O)=O)n1 1261835471 WWXRFINOCYJVGR-UHFFFAOYSA-N 305.381 -0.424 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)ccc1=O 1320347881 XGFXNAHGPZSUEY-UHFFFAOYSA-N 314.301 -0.215 50 20 DBGD Cn1cnnc1COCC(=O)NNc1cc(Cl)nc(N)n1 1324326295 WAUGTPSCPLEKIV-UHFFFAOYSA-N 312.721 -0.499 50 20 DBGD O=C(Cc1cc[nH]n1)NN=C1CCC2(CC1)NC(=O)NC2=O 1327800967 RIDMCIRWUUBVHN-UHFFFAOYSA-N 304.310 -0.423 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCCn1cncn1 1330535130 XDCDCQDHQJTSDR-SNVBAGLBSA-N 314.346 -0.950 50 20 DBGD O=C(O)CN1CCCC[C@H](NC(=O)NNc2ncccn2)C1=O 1574723255 DEUYROHONAXMHW-VIFPVBQESA-N 322.325 -0.432 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@]23CC[C@H]2CNC3)c1 1575028330 ASCXKSRULGNAFT-NHYWBVRUSA-N 317.349 -0.199 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NC[C@H]2CNC[C@H]2O)cc(C#N)n1C 1579529661 LJOYIIOSIBOPQH-FPZUHBNUSA-N 313.361 -0.191 50 20 DBGD C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)C(=O)NC1CC1 14311839 CSQYPZYQPRKEJO-UFBFGSQYSA-N 319.317 -0.359 50 20 DBGD O=C(CCn1nnc2ccccc2c1=O)NNC(=O)C1CC1 26970056 IMOUGOZPOPQHGE-UHFFFAOYSA-N 301.306 -0.261 50 20 DBGD COC(=O)NNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 50530620 XPDZCALTJGBAED-UHFFFAOYSA-N 314.323 -0.574 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)cc1F 126488071 APFNYBKHVYLJDA-UHFFFAOYSA-N 300.265 -0.388 50 20 DBGD O=C(NCC(=O)N1CCOCC1)NNc1ccc(Cl)nn1 272128968 VASIESGQIQKKNQ-UHFFFAOYSA-N 314.733 -0.385 50 20 DBGD COc1cccc(NNC(=O)NC[C@@H]2CN(C)CCN2C)n1 272490465 FFMVZEMGKJCSQW-LLVKDONJSA-N 308.386 -0.038 50 20 DBGD COC[C@](C)(NCC(=O)NNC(=O)c1ccccc1)C(=O)OC 273191464 CVJMVDYMCQVQRR-HNNXBMFYSA-N 323.349 -0.385 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNc1nc2ccccn2n1 276870961 SWOYOJVIWPGQNT-UHFFFAOYSA-N 312.355 -0.546 50 20 DBGD C#CCNC(=O)CN1CCN(C(=O)/C(C#N)=C\OCC)CC1 491172916 AEPRBHBSIAUUJC-SEYXRHQNSA-N 304.350 -0.676 50 20 DBGD C[C@@H](CNC(=O)c1ccc(B(O)O)cc1)N1CCCCC1=O 584980169 SCPYHIMFICYWLW-NSHDSACASA-N 304.155 -0.503 50 20 DBGD CC(C)[C@@H]1CN(C(=O)c2cc(B(O)O)ccc2F)CCN1C 584980911 OGUDTTLUESKIMC-AWEZNQCLSA-N 308.162 -0.082 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCO[C@@H](C#N)C2)c1 744397729 DPKOWPQEIVUMPF-ZDUSSCGKSA-N 302.334 -0.020 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 749866110 GKNHECXAASCOJW-SNVBAGLBSA-N 312.351 -0.480 50 20 DBGD CC(C)CC(=O)NNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 753092216 DCQQAIWUSCJBJM-JTQLQIEISA-N 320.415 -0.356 50 20 DBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)CN1C1CC1 753944758 LKGKOKPAIPIDCG-WDEREUQCSA-N 323.397 -0.436 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc2ccccc2[nH]1 758047293 KTTRKGFAROIRIO-QMMMGPOBSA-N 324.362 -0.133 50 20 DBGD CC(C)Oc1cc(C(=O)NNC(=O)C(=O)NC2CC2)ccn1 759695215 YEOSOYBBZAYJTA-UHFFFAOYSA-N 306.322 -0.092 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cncc(Cl)n1 760812166 XHJHQBRAEGBOEW-UHFFFAOYSA-N 323.696 -0.086 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCCS1(=O)=O 772899831 SYEKPLIJGIPBFE-VIFPVBQESA-N 300.340 -0.554 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)c1cc(OC)cc(OC)c1 780848398 MNQRTVSBUBGWMN-UHFFFAOYSA-N 309.322 -0.009 50 20 DBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ccnc(F)c2)c1 781435909 ITDVGOUGKVSIJJ-UHFFFAOYSA-N 314.302 -0.792 50 20 DBGD N#C[C@]1(F)CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 786117368 SYGOUUGSCZDUGS-CYBMUJFWSA-N 323.284 -0.312 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(F)CCCCC1 810345321 FPPGWLXOFBRZMF-QMMMGPOBSA-N 309.363 -0.256 50 20 DBGD COCCOCCS(=O)(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 842592872 PVUFLXORYNCZAI-NXEZZACHSA-N 310.372 -0.975 50 20 DBGD C[C@@H]1[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CCN1C 843784052 RHRKIKYOANSJRV-NXEZZACHSA-N 308.338 -0.503 50 20 DBGD CCS(=O)(=O)CC(=O)NN(C)C(=S)NCCCOC 854279688 AUBBYGIVEXSYGT-UHFFFAOYSA-N 311.429 -0.705 50 20 DBGD Cc1onc(CC(=O)NNC(=O)N2CCN(C)CC2)c1C#N 854379036 MCVKSYADALYXHK-UHFFFAOYSA-N 306.326 -0.615 50 20 DBGD C[C@@H](Cc1cnn(C)c1)C(=O)NNC(=O)N1CCN(C)CC1 854381716 QREXTQMHFLSADD-NSHDSACASA-N 308.386 -0.413 50 20 DBGD CCO[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 858173887 ITSXCXFCKISHJA-NXEZZACHSA-N 304.368 -0.616 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@H]2CCN3CCCC[C@H]23)N1 858190236 FBOPJFFCCLKBJL-HBNTYKKESA-N 309.370 -0.778 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CC(c3ccccc3)=NO2)N1 862451552 DLYWZIAZLCXXBT-ZYHUDNBSSA-N 316.317 -0.394 50 20 DBGD COC(=O)c1cc(C=NNC(=O)[C@H]2CCC(=O)N2)n(C)c1C 863153448 UTTZAFHGKNKLEP-LLVKDONJSA-N 306.322 -0.151 50 20 DBGD CS(=O)(=O)CC(=O)NN=C1CCCC[C@@H]1S(C)(=O)=O 863189913 XFEVPKIVVLOADF-VIFPVBQESA-N 310.397 -0.510 50 20 DBGD COCCN(C)NC(=O)[C@H]1CC[C@@H]1C(=O)NN(C)CCOC 868242884 YERXQSODDVSHBJ-RYUDHWBXSA-N 316.402 -0.769 50 20 DBGD COC(=O)Cc1ccc(NNC(=O)[C@H]2OCCN(C)C2=O)cc1 911877999 SSMAXJWXYOENTH-CYBMUJFWSA-N 321.333 -0.298 50 20 DBGD C=CCNC(=S)NNC(=O)c1coc(S(N)(=O)=O)c1 1116910183 ZAXFPKMYCUUJFT-UHFFFAOYSA-N 304.353 -0.778 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1118887427 SCFIJKSORFHTRN-KTKRTIGZSA-N 318.337 -0.016 50 20 DBGD Cn1cc(C(=O)NNc2nccc(N3CCOCC3)n2)cn1 1319357999 ZSRAQIFEKWRNGH-UHFFFAOYSA-N 303.326 -0.196 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccnc(O)c1 1319447792 UWWFUXIBRROWEQ-UHFFFAOYSA-N 315.289 -0.627 50 20 DBGD C[C@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)n1ccnc1 1319880408 UOLPSMFETTZKOZ-SSDOTTSWSA-N 302.298 -0.030 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)Cc2cc[nH]n2)n1 1320482509 GQCWMBHQDKLDIT-UHFFFAOYSA-N 307.314 -0.819 50 20 DBGD Cn1cc(-c2nn(C)cc2C(=O)NNC(=O)C(C)(C)O)cn1 1320808759 QCQBEZIAVQAMNN-UHFFFAOYSA-N 306.326 -0.648 50 20 DBGD C#CCOCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1323779001 UOKXLOXGOAXKPR-UHFFFAOYSA-N 305.294 -1.000 50 20 DBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329645399 XVGOIWRCJZENJL-GMSGAONNSA-N 307.354 -0.434 50 20 DBGD COCCC[C@H](C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1337363218 DKMZNKHCUNARFI-UWVGGRQHSA-N 306.384 -0.369 50 20 DBGD C[C@@H](NC(=O)NNc1ccc(-c2nn[nH]n2)cn1)C(=O)N(C)C 1591728038 ZLODFADGQIMIDN-SSDOTTSWSA-N 319.329 -0.636 50 20 DBGD O=C(CN1CCOCC1)NNc1ccc(-c2nn[nH]n2)cn1 1592868432 GBVLYSMOTXHOPW-UHFFFAOYSA-N 304.314 -0.963 50 20 DBGD Cc1cc(C(=O)O)oc1C(=O)NNC(=O)CS(C)(=O)=O 1600133516 IHIGMKZQITVNOV-UHFFFAOYSA-N 304.280 -0.908 50 20 DBGD O=C(O)Cc1cccc(NC(=O)c2ccc(B(O)O)cc2)n1 1608786355 AHHIWDRKSXPTEA-UHFFFAOYSA-N 300.079 -0.359 50 20 DBGD C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839807552 GVSVVVODMXNPHN-DGCLKSJQSA-N 318.732 -0.390 50 20 DBGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NN(C)C(N)=O 181056615 VZVYMAAASHOXNM-LLVKDONJSA-N 321.316 -0.054 50 20 DBGD COc1nccnc1NNC(=O)CS(=O)(=O)CC(C)C 274154986 ZWQGYXKOJGAGQB-UHFFFAOYSA-N 302.356 -0.001 50 20 DBGD CN(C)c1noc(CCC(=O)NNC(=O)c2ccncc2)n1 275242274 GDOURFSSDNICJN-UHFFFAOYSA-N 304.310 -0.076 50 20 DBGD O=C(Cc1n[nH]c2ccccc12)NNC(=O)C(=O)N1CCCC1 299487914 MHNSLYNYHAAAEW-UHFFFAOYSA-N 315.333 -0.125 50 20 DBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CO)CC1 494435972 VHPJJYWQGYEDKM-UHFFFAOYSA-N 301.343 -0.227 50 20 DBGD CCOC(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 495665018 QGOAKZSUAVHWHD-UHFFFAOYSA-N 319.314 -0.119 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ncccn1 496865036 NHCMFKZEQKCUNV-UHFFFAOYSA-N 324.341 -0.055 50 20 DBGD O=C(Cn1nnc2c1CCCC2)Nc1cccc(B(O)O)c1 584912094 OYSFTLXGDSPFQO-UHFFFAOYSA-N 300.127 -0.525 50 20 DBGD Cc1nc2n(n1)CCN(C(=O)c1ccc(B(O)O)c(F)c1)C2 584958405 YFYQEZYSXISANL-UHFFFAOYSA-N 304.090 -0.939 50 20 DBGD CCN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@H](C)C1=O 584974742 PWJOTYGXBFFXDG-SECBINFHSA-N 308.118 -0.802 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)cc2)[C@]12CCCO2 584975336 MTCYWYCJQVJAQT-IIAWOOMASA-N 319.166 -0.177 50 20 DBGD COCCO[C@@H]1COCC[C@H]1NCc1ccc(B(O)O)cc1 585036002 BSZMDYDNWFPFRM-HUUCEWRRSA-N 309.171 -0.724 50 20 DBGD COCCOC1(CNCc2ccccc2B(O)O)CCOCC1 585043866 UWPCYJFMWDFDJM-UHFFFAOYSA-N 323.198 -0.332 50 20 DBGD CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CBr 696853178 JPWNBMLRSVCHTR-NTSWFWBYSA-N 322.202 -0.930 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCNC(N)=O 725910340 JIQCOUJMJZAFGE-UHFFFAOYSA-N 304.310 -0.538 50 20 DBGD CNC(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)cn1 747324847 LWLNUUCPOCGZFX-UHFFFAOYSA-N 313.317 -0.160 50 20 DBGD CCN(c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1)C(C)C 764428232 DBTMALGEWBZCBC-UHFFFAOYSA-N 322.365 -0.001 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 765568196 NBYIFCVNWZMDDY-LURJTMIESA-N 322.350 -0.044 50 20 DBGD CCCCS(=O)(=O)N1CCC(C(=O)NN(C)C(N)=O)CC1 770436320 FATCWZPWGFJKEQ-UHFFFAOYSA-N 320.415 -0.130 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)Cc1cccnc1 775278246 BPJBHUIRZYGRDV-UHFFFAOYSA-N 323.378 -0.016 50 20 DBGD COC(=O)NNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 775708902 VMDUTRHQDSNIBR-VIFPVBQESA-N 321.293 -0.170 50 20 DBGD CSc1nc2nc(C)c(CC(=O)NNC(=O)CO)c(C)n2n1 777781693 ICLODBXKBHBKOH-UHFFFAOYSA-N 324.366 -0.855 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 782477880 CATOJSDZFIFMRD-SECBINFHSA-N 322.387 -0.575 50 20 DBGD C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)N1CCN(C)CC1 788166203 JXLZHZMFUBDMGR-JTQLQIEISA-N 313.402 -0.475 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)C1=O 823801243 RBOCHVNVHPJSPT-JTQLQIEISA-N 311.725 -0.042 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)nn12 843642423 WNMIDTZKPJHGEY-DTWKUNHWSA-N 304.310 -0.381 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1cc(Cl)ccn1 845924360 ZFBLDUXHCWLBGF-UHFFFAOYSA-N 321.790 -0.084 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@@H]2CCNC2=O)cc1OC 854180722 PZTFRVJIVIQOIK-SECBINFHSA-N 307.306 -0.399 50 20 DBGD COCCCNC(=S)N(C)NC(=O)C(C)(C)NC(C)=O 854281315 UASLOUCUFHIANB-UHFFFAOYSA-N 304.416 -0.225 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNC(=O)CCCNC(=O)C(C)(C)C 855828579 FEPVGTGCAOMNKN-QMMMGPOBSA-N 315.374 -0.867 50 20 DBGD Cc1ccc(O)c(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858700856 FJUITXMMGWQBBV-JTQLQIEISA-N 306.322 -0.190 50 20 DBGD COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1S(=O)(=O)CCl 859304348 CFVLIKXCHXMDEA-SFYZADRCSA-N 313.759 -0.061 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2COc3ccccc3C2)N1 862449912 LWSXUDJNHBYBMM-WDEREUQCSA-N 303.318 -0.336 50 20 DBGD COc1cccc(OC)c1CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 862456451 PXIQZBYUFICFKA-JTQLQIEISA-N 321.333 -0.328 50 20 DBGD Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 863883345 WSIKMEDDRVZPAL-JTQLQIEISA-N 317.179 -0.308 50 20 DBGD O=C(CO)NNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 897606409 PDCDIRYLPMPNTF-UHFFFAOYSA-N 320.271 -0.080 50 20 DBGD O=C(COc1ccc(F)cc1)NNC(=O)NC[C@@H]1COCO1 923859533 FUOBNIXZSDQUEF-LLVKDONJSA-N 313.285 -0.092 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CC(c2cn(C)nc2C)=NO1 929243076 RGJSMXUJHUZULY-LLVKDONJSA-N 322.394 -0.097 50 20 DBGD COC[C@H]1COCCN1CC(=O)NNC(=O)c1cccs1 933333400 LGCGVZDSYBBLPB-JTQLQIEISA-N 313.379 -0.144 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cnc2ccccc2c1 1116729781 LUTZMNXLHUQBKA-UHFFFAOYSA-N 316.273 -0.506 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCCS1(=O)=O 1324103682 VJDJJNYDYKPTLO-LLVKDONJSA-N 311.363 -0.261 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1nnc2n1CCC2 1326269184 FVPAWCVNWPEROY-BDAKNGLRSA-N 308.342 -0.520 50 20 DBGD COCCCNC(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1326751652 HRFPBDHTSHYCOV-VIFPVBQESA-N 307.372 -0.822 50 20 DBGD C[C@]1(CCCC(=O)NNC(=O)CC(F)(F)F)NC(=O)NC1=O 1328417362 NRJZAKPZOSMTAB-SNVBAGLBSA-N 324.259 -0.145 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1ccc(O)nn1 1329348712 BPJQSXIFRQSKJZ-UHFFFAOYSA-N 323.353 -0.114 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CCC(=O)c3cccn32)N1 1331690484 JPHAYCBLKVFVFU-SCZZXKLOSA-N 304.306 -0.568 50 20 DBGD Nc1cnnc(NNC(=O)C2(CO)CCOCC2)c1Cl 1334796215 UIXXVDLENOHYCK-UHFFFAOYSA-N 301.734 -0.056 50 20 DBGD CCn1ncc(Cl)c1C(=O)NNC(=O)C(=O)NC(C)C 1334841769 SVLJTWGHIWHYDU-UHFFFAOYSA-N 301.734 -0.158 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n(C)n1 1345811340 GVJVVYVHJDVDJA-DTWKUNHWSA-N 309.326 -0.761 50 20 DBGD O=C(NNc1ccc(-n2cccn2)nn1)N[C@H]1[C@@H]2CNC[C@@H]21 1580737538 SFSLAMCMAQUHFE-GDGBQDQQSA-N 300.326 -0.494 50 20 DBGD CCN1CC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 1590731156 IYMYOAKDEDCTBS-NSHDSACASA-N 315.337 -0.278 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NCCO)cc(-c2nn[nH]n2)n1C 1591816249 QJQXIXFGUPULTI-BJMVGYQFSA-N 301.310 -0.471 50 20 DBGD O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)c1cc[nH]n1 1592921099 JUXQSMQZJZZLJS-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cc(C(=O)O)co1 1594644770 NPUYODOLNKFKKL-HTRCEHHLSA-N 318.307 -0.288 50 20 DBGD O=C(NCC1CC1)NNS(=O)(=O)c1cncc(C(=O)O)c1 1608433079 UWDSWXQTAYCJOF-UHFFFAOYSA-N 314.323 -0.318 50 20 DBGD COCc1cc(C(=O)O)cc(S(=O)(=O)NNC(C)=O)c1 1610266991 CQOCMOLDPJTIOC-UHFFFAOYSA-N 302.308 -0.139 50 20 DBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1799265889 OYBGHCWCCZOYDM-DTHBNOIPSA-N 303.790 -0.448 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 158646201 RLBXYRSVUSACSM-QXMHVHEDSA-N 306.366 -0.147 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)c1ccncc1 274391017 DEBMQNDHGJHLFR-UHFFFAOYSA-N 300.340 -0.876 50 20 DBGD COC(=O)NNC(=O)[C@H]1CC(C)C[C@@H]1C(=O)NNC(=O)OC 274830869 HKVRDAJSMDNARS-YUMQZZPRSA-N 316.314 -0.577 50 20 DBGD CC(C)[C@@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)N(C)C 584930200 UFWBVQXEOZOHJU-GFCCVEGCSA-N 310.134 -0.652 50 20 DBGD CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584936113 FLFDVIFPZYISQO-NSHDSACASA-N 322.145 -0.506 50 20 DBGD C[C@@H](CCN1CCOCC1)NC(=O)c1cccc(B(O)O)c1 584944311 KEJATVIUSZUDBP-LBPRGKRZSA-N 306.171 -0.793 50 20 DBGD O=C(NCCN1CCSCC1)c1cc(B(O)O)ccc1F 584946115 XWHXMDDIOGCVOU-UHFFFAOYSA-N 312.175 -0.716 50 20 DBGD O=C1C[C@]2(CCCN(C(=O)c3cc(B(O)O)ccc3F)C2)CN1 584954085 CFLCGRVMRZFWID-OAHLLOKOSA-N 320.129 -0.752 50 20 DBGD CN(C)CCn1nccc1NC(=O)c1cccc(B(O)O)c1 584995789 ZDTJGNHDUCSRRL-UHFFFAOYSA-N 302.143 -0.623 50 20 DBGD COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058526 HSXYRJQFCIRTGV-JTQLQIEISA-N 310.140 -0.196 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(N)=O)cc1 728435400 ZWQIXGJHNHSYOJ-MRVPVSSYSA-N 312.351 -0.827 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 731596592 RMICJNMKHVAEGE-UHFFFAOYSA-N 312.307 -0.917 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)C2=NNC(=O)C2)cc1C 731862079 YZKNEFLLZAYENW-UHFFFAOYSA-N 304.306 -0.294 50 20 DBGD O=C(CN1CCC[C@H]1CN1CCOCC1)NNC(=O)C1CC1 744414098 VKPSQOMWCHHMTP-ZDUSSCGKSA-N 310.398 -0.660 50 20 DBGD N#Cc1ccc(NNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 749267822 PBJLNCTXIJGFHO-UHFFFAOYSA-N 320.334 -0.455 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](CC(=O)OC)C1 752337044 KWNZRLNDIAKRDN-ZJUUUORDSA-N 301.343 -0.804 50 20 DBGD Cc1cc(C(=O)NNC(=O)Cn2cnnn2)c2ccccc2n1 754777429 KFQGLEUXABBDDN-UHFFFAOYSA-N 311.305 -0.009 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CO)cnn1-c1ccccc1 764422423 YXYLGJCUSHTGAF-UHFFFAOYSA-N 317.305 -0.741 50 20 DBGD O=C(NNS(=O)(=O)CCC1CC1)[C@H]1CCS(=O)(=O)C1 770632110 AILDOUCWVVJGRX-VIFPVBQESA-N 310.397 -0.828 50 20 DBGD NC(=O)N[C@@H](CO)C(=O)NNc1ncc(Cl)cc1Cl 775269290 FTFVRVQCIRBKPT-LURJTMIESA-N 308.125 -0.139 50 20 DBGD CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 775459915 PMQAGZUQCGZSGF-WDEREUQCSA-N 312.370 -0.246 50 20 DBGD C[C@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CCO1 776347006 PAQXHMNEGOLTSB-WDEREUQCSA-N 320.349 -0.226 50 20 DBGD CC[C@H](CO)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 779740462 PRCXDHOYGDDWKH-SECBINFHSA-N 314.363 -0.130 50 20 DBGD Cc1nc(Cl)cc(NNC(=O)CN2CCN(C)C(=O)C2)n1 781943524 PMUMVFNJBCCWQW-UHFFFAOYSA-N 312.761 -0.344 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 782477787 YEWVDZVJUUPYEB-UHFFFAOYSA-N 320.331 -0.334 50 20 DBGD CN(NC(=O)c1cc2c(=O)n3ccccc3nc2n1C)C(N)=O 784461126 QXIFBZRFTDVZSH-UHFFFAOYSA-N 314.305 -0.159 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)N2C(=O)CCC2=O)n1 794080366 PRWAMZLTTPQLEX-VIFPVBQESA-N 304.306 -0.311 50 20 DBGD CSCCNC(=S)NNC(=O)CCn1cnccc1=O 794412955 LQTFOGBOXPLPCR-UHFFFAOYSA-N 315.424 -0.508 50 20 DBGD CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)NNC(=O)C3CC3)[C@H]2C1 808784002 WJPGGCFAGKHIKL-MELADBBJSA-N 322.409 -0.220 50 20 DBGD Cc1cccnc1NNC(=O)NCCS(=O)(=O)N(C)C 811977823 SKCJLCGZWNOEHD-UHFFFAOYSA-N 301.372 -0.092 50 20 DBGD COc1ccnc(NNC(=O)c2nc(N)nc(N(C)C)n2)n1 816860612 RKWVUBAVFLSPNF-UHFFFAOYSA-N 305.302 -0.925 50 20 DBGD CC(=O)N[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)C1 817280529 IKQWPVDTXAEBLI-CQSZACIVSA-N 318.377 -0.034 50 20 DBGD Cc1onc(CC(=O)NNC(=O)c2ccoc2)c1-c1nn[nH]n1 826348556 RZVDSURVFQOJOI-UHFFFAOYSA-N 317.265 -0.240 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccc(C(N)=O)n1 831571016 MYZDGMHLVZNBDP-SFYZADRCSA-N 307.310 -0.242 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CCCCN2)n1 841922841 SJRIOHHELUZBGP-LBPRGKRZSA-N 308.386 -0.028 50 20 DBGD O=C(CNC(CO)CO)NNC(=O)c1cccc(Cl)c1 846939853 NILIUZOECYOEFZ-UHFFFAOYSA-N 301.730 -0.956 50 20 DBGD Cn1c(NNC(=O)CCNS(C)(=O)=O)nc2ccccc21 848378990 ABNPJKCMLSXSCS-UHFFFAOYSA-N 311.367 -0.044 50 20 DBGD CCC[C@@H](C(=O)NNC(=S)N[C@@H](C)C1CC1)S(N)(=O)=O 855097445 QLVILGNYSCBZTK-CBAPKCEASA-N 322.456 -0.263 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)Cn1cccn1 855830021 YRHOETRBOWEGEQ-UHFFFAOYSA-N 309.370 -0.027 50 20 DBGD CC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C1CCOCC1 858696092 INFBRFBNQHRZMU-GHMZBOCLSA-N 312.370 -0.199 50 20 DBGD COCCN(C)c1ccc(C=NNC(=O)[C@H]2CCC(=O)N2)cn1 863153330 RORNGYSFFVNZEB-GFCCVEGCSA-N 319.365 -0.107 50 20 DBGD C[C@@H]1CN(CCNC(=O)NNC(=O)C2CCOCC2)CCO1 883271335 KJLBTXOUSZTPMT-LLVKDONJSA-N 314.386 -0.536 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccn(CCOC)n1 1254896481 CHLGEEHPTRCILB-VIFPVBQESA-N 311.342 -0.339 50 20 DBGD Cc1nn(C)c(C)c1CC(=O)NNc1ccc(C(N)=O)nn1 1319074920 HFNOAGNTKNNPSM-UHFFFAOYSA-N 303.326 -0.388 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cn(C(C)C)cn1 1319931875 SMAKJLFKUGDIJE-UHFFFAOYSA-N 319.343 -0.871 50 20 DBGD COC1CCC(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1320833786 SCDCTZIWULDKNO-YVNMAJEFSA-N 318.395 -0.226 50 20 DBGD COCCOC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1331313763 ZVSKJAUMJQGADT-UHFFFAOYSA-N 311.342 -0.109 50 20 DBGD CCCc1cnc(NC(=O)C(=O)NNC(=O)C(=O)OC)s1 1343643955 XMFOAXJMOWIYNJ-UHFFFAOYSA-N 314.323 -0.646 50 20 DBGD C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)C[C@@H](O)CN1 1573600182 ACISWSIONFGLMS-BMIGLBTASA-N 321.333 -0.668 50 20 DBGD C[C@]1(C(=O)N2CCN(C(=O)C(=O)O)CC2)C[C@@H]1Br 1589181609 MXFMYQJABMASNS-CPCISQLKSA-N 319.155 -0.085 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1CC(=O)O 1593953042 LQYRVOKLOIFNJV-UHFFFAOYSA-N 309.278 -0.954 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)ccc1=O 1594530389 QMTSGKNXNNVJKF-DTORHVGOSA-N 308.294 -0.808 50 20 DBGD C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)NNC(=O)C(=O)O)O2)[C@H]1C 1594641349 XACWSZCNDLMBNO-DWURIKNASA-N 315.326 -0.626 50 20 DBGD O=C(O)CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ncccn2)CO1 1595005328 NPRNOEZYTLKWHR-RKDXNWHRSA-N 308.294 -0.493 50 20 DBGD CCOc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1 1597137656 OWUFISNRJUEZRS-UHFFFAOYSA-N 317.323 -0.338 50 20 DBGD COCCCNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 67237020 LJPMWQGPBABHPL-UHFFFAOYSA-N 304.347 -0.122 50 20 DBGD CN(C)CC(=O)NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 111648151 KKWDDUQVKSFRFV-UHFFFAOYSA-N 307.358 -0.121 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNc2ccc(F)cc2F)c1=O 113432407 OQNXGJSXQVCAJT-UHFFFAOYSA-N 310.260 -0.032 50 20 DBGD O=S(=O)(CCCCCl)NCCN1CCCS1(=O)=O 153878403 PENQXUQCZZLICJ-UHFFFAOYSA-N 318.848 -0.040 50 20 DBGD Cc1c(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)nnn1C 266558947 JGUXBRIFSPCTBL-NXEZZACHSA-N 324.385 -0.616 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1ccc[nH]1 279674006 DHFNQUCXJLOYGB-HNNXBMFYSA-N 318.333 -0.303 50 20 DBGD COc1cncc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 282124482 YCMJJSSUQFRGPJ-UHFFFAOYSA-N 316.339 -0.675 50 20 DBGD CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)C(=O)N1CCCC1 285924718 IFRVMSUNDBQQKU-ONGXEEELSA-N 312.370 -0.693 50 20 DBGD COc1ncnc(N(C)C)c1NC(=O)NNC(=O)[C@@H]1CCCO1 292709285 OHVWMYNWLTURMN-QMMMGPOBSA-N 324.341 -0.117 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cnc3c(c2)NC(=O)CO3)O1 294062184 ZXYRPXFNRSHXJO-XVKPBYJWSA-N 320.305 -0.259 50 20 DBGD O=C(NCCc1ccc(O)cc1)NNC(=O)C(=O)N1CCCC1 299533702 OQMLVPCFSHBGMR-UHFFFAOYSA-N 320.349 -0.113 50 20 DBGD CC(C)(C)CC[C@@H](NC(=O)c1cccc(B(O)O)c1)C(N)=O 584983140 SZHQXWOZGRHUML-GFCCVEGCSA-N 306.171 -0.224 50 20 DBGD Cn1cc(N2CCC[C@@H](NCc3ccc(B(O)O)o3)C2)cn1 585027217 PEDYTWALJGUAHJ-LLVKDONJSA-N 304.159 -0.549 50 20 DBGD OB(O)c1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)o1 585028409 JNAKNDUPFBIQFC-SNVBAGLBSA-N 305.118 -0.138 50 20 DBGD CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@H](B(O)O)C1 585058960 VIXFZQSTEJGYRB-VIFPVBQESA-N 315.204 -0.218 50 20 DBGD COc1ccccc1[C@](N)(C(=O)NCB(O)O)C(F)(F)F 585074445 YUAUNSMJHBCCOV-JTQLQIEISA-N 306.049 -0.460 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1sccc1-n1cnnn1 730091463 ATJGZHOADWGDLI-UHFFFAOYSA-N 318.322 -0.549 50 20 DBGD COC(=O)c1cccc(C(=O)NNC(=O)c2cnn(C)c2)n1 735470999 JFVVQEBJIRJFLN-UHFFFAOYSA-N 303.278 -0.324 50 20 DBGD CO[C@H](CNC(=O)NNC(=O)c1cnn(C)c1)C(F)(F)F 735512494 IGDQIBDGVUKFLP-SSDOTTSWSA-N 309.248 -0.059 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(-n2cnnn2)cc1 739454089 PLJBIWUPOMUACI-VHSXEESVSA-N 316.277 -0.856 50 20 DBGD COCCN1C[C@H](C(=O)NNc2ccnc(N(C)C)n2)CC1=O 740103467 QQIGCKLCEBPTJF-SNVBAGLBSA-N 322.369 -0.519 50 20 DBGD O=C(CO)NNC(=O)CS(=O)(=O)CCCc1ccccc1 753445998 XXJMQFUORHKFAM-UHFFFAOYSA-N 314.363 -0.826 50 20 DBGD NC(=O)c1ccc(NNC(=O)Cc2ccc3c(c2)OCO3)nn1 757403891 HYFSPDXNWSYKTI-UHFFFAOYSA-N 315.289 -0.010 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)NCCCOC 761147540 SJZQXXKMNIAFON-UHFFFAOYSA-N 324.403 -0.927 50 20 DBGD O=C(CN1CSCC1=O)NNC(=S)Nc1ccccn1 768581510 RJYSHARHWUPPJP-UHFFFAOYSA-N 311.392 -0.068 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](F)c1ccccc1 769651602 UOZFUJAESGINEK-PSASIEDQSA-N 317.342 -0.218 50 20 DBGD CCC[C@](C)(O)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 770885765 YEQNWMFMWQICPI-KCJUWKMLSA-N 307.372 -0.945 50 20 DBGD COC(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 772038756 USNKWTHARLMQNN-MRVPVSSYSA-N 303.315 -0.532 50 20 DBGD CNC(=O)NNC(=O)CN1C(=O)C(F)(F)Oc2ccccc21 794245253 SFBVYVGOPNKCDS-UHFFFAOYSA-N 314.248 -0.035 50 20 DBGD CCCN(CC(N)=O)CC(=O)NNC(=O)c1cccc(C#N)c1 795526799 QASDNRADZOTVOT-UHFFFAOYSA-N 317.349 -0.483 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1=O 826063241 ZBSQVKIZJHSLOG-HBNTYKKESA-N 312.370 -0.249 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(-n2cncn2)n1 854682727 GETDFUXECHDRIT-NSHDSACASA-N 316.321 -0.008 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1ncc(Cl)cn1 856887881 XYSLXJJDDCQEJX-UHFFFAOYSA-N 308.751 -0.695 50 20 DBGD O=C(CCC(=O)NC1CCCC1)NNC(=O)[C@@H]1CCC(=O)N1 862457856 SCGCYWBKYPHZLE-JTQLQIEISA-N 310.354 -0.749 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN(C)CCc1ccccc1 873837373 SYCRRVBDOJJMAX-UHFFFAOYSA-N 320.393 -0.167 50 20 DBGD C#CCN1CCC[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1 890372106 FNPKEHDXBHBZBC-LBPRGKRZSA-N 321.381 -0.963 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 1116181887 LBYDOYDCCIJFEU-UWVGGRQHSA-N 300.359 -0.390 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 1253208120 NLOYRMJQBFFADL-PELKAZGASA-N 317.367 -0.456 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)N=c1cc[nH]cc1 1321228482 LHTLHAFNDITFHB-UHFFFAOYSA-N 310.383 -0.471 50 20 DBGD Cc1c(C#N)cccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 1325234511 TUUWMNFNYVIIMD-VIFPVBQESA-N 324.362 -0.435 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)N[C@H]1CC12CCNCC2 1328252302 ZHVWXHMQDAUDPY-NSHDSACASA-N 304.354 -0.019 50 20 DBGD CCOC1CC(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 1338891841 XQLXHKXCFJJIIP-YVNMAJEFSA-N 318.395 -0.226 50 20 DBGD O=C(Cn1cc(C2CC2)nn1)NNC(=O)N=c1cc[nH]cc1 1340043413 WVYWPLFGTXRRHL-UHFFFAOYSA-N 301.310 -0.175 50 20 DBGD CNC(=O)C1(C(=O)NNc2nc(O)c3cnn(C)c3n2)CCC1 1340732082 KFCGBCHUPRDUSJ-UHFFFAOYSA-N 319.325 -0.572 50 20 DBGD CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NNC(=O)CO)c1 1342606800 HGISQCFBRNUDPY-UHFFFAOYSA-N 308.294 -0.968 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1353550020 ROIAJLQZVLSZCJ-GARJFASQSA-N 301.343 -0.595 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1579788575 XNPKBLLHPWUQQP-UHFFFAOYSA-N 322.329 -0.814 50 20 DBGD O=C(CCNC(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1CCN1 1580537018 ZIWDXRFDBKJNNP-NSHDSACASA-N 308.313 -0.545 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2sccc2-c2nn[nH]n2)nn1 1581762177 MTCMVNOYOQYDDH-UHFFFAOYSA-N 319.310 -0.869 50 20 DBGD CNC(=O)NNC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 1591212422 QMXNGHKGUIGFEQ-ZETCQYMHSA-N 305.298 -0.406 50 20 DBGD O=C(O)C1=NO[C@@H](C(=O)NN=c2cc[nH]c3cccnc23)C1 1594888341 CJUYNYBRBDLXOI-SNVBAGLBSA-N 301.262 -0.276 50 20 DBGD COc1cccc(C(=O)NNS(=O)(=O)CCC(=O)O)c1O 1599642594 WEUGSMLUUNTOGH-UHFFFAOYSA-N 318.307 -0.560 50 20 DBGD O=C(O)[C@@H]1CCCCCN1C(=O)c1cc(B(O)O)ccc1F 1601810316 ANVFEJJULORAKW-LBPRGKRZSA-N 309.102 -0.025 50 20 DBGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NN(C)C(N)=O 181056598 VZVYMAAASHOXNM-NSHDSACASA-N 321.316 -0.054 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(-n2cnnn2)cc1 269429137 GOWMBVPMENIEBG-GFCCVEGCSA-N 316.321 -0.008 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cc(S(=O)(=O)NC)oc1C 271460115 WYFBFNHYQJKZOW-UHFFFAOYSA-N 318.355 -0.198 50 20 DBGD COc1ccc(NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)nc1 275483411 GBAJMGQYERBPHJ-QPUJVOFHSA-N 308.338 -0.191 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CCn2ncn(C)c2=O)s1 294357236 ZTFJNVKKLZGNEN-UHFFFAOYSA-N 309.351 -0.197 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)N1CCCC1 299492170 NRJZIOHNWXOEKK-LLVKDONJSA-N 324.381 -0.453 50 20 DBGD CCc1nnc(CNC(=O)c2ccc(B(O)O)c(F)c2)s1 584990750 JHZHBZGHSBUHSW-UHFFFAOYSA-N 309.131 -0.151 50 20 DBGD CC(C)[C@]1(c2nc(-c3ccc(B(O)O)cc3)no2)CNC(=O)C1 585055226 SXESCCZDCDOQDF-OAHLLOKOSA-N 315.138 -0.170 50 20 DBGD COC[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccs1 745319028 SIDVONBSQXCUNQ-LBPRGKRZSA-N 316.335 -0.550 50 20 DBGD CC(C)(C)N1C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)CC1=O 748240668 HXRAUZLSEHYVQV-JTQLQIEISA-N 324.381 -0.597 50 20 DBGD CC(C)Nc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cn1 752789935 STIUJKDUTLYTKJ-UHFFFAOYSA-N 305.338 -0.059 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2nn(C)cc2C#N)n1 756873322 XQVXYHAEFVZJEF-UHFFFAOYSA-N 316.325 -0.042 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12 764428589 HRTUJCNWBJLPGI-UHFFFAOYSA-N 322.708 -0.034 50 20 DBGD CO[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 769715188 MEKBEZSVSVQBMP-SNVBAGLBSA-N 324.337 -0.139 50 20 DBGD CSC1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC1 787885305 AECXAVIJUWWKJV-SSDOTTSWSA-N 309.413 -0.643 50 20 DBGD CC(C)NC(=O)CCCC(=O)NNC(=O)N1CCN(C)CC1 807379248 WEIXYCKPANHSGO-UHFFFAOYSA-N 313.402 -0.331 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)N2CCN(C)CC2)ccn1 807381293 MYRXNYHDQMPUJQ-UHFFFAOYSA-N 321.337 -0.530 50 20 DBGD CC(=NNC(=O)C(=O)NN=C(C)c1cc[nH]n1)c1cc[nH]n1 814692056 GWBDETYPTWCSPX-UHFFFAOYSA-N 302.298 -0.487 50 20 DBGD CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](O)C(N)=O)cc1 819525621 LOHRJZAAGWOBMD-SVTZGKHISA-N 303.318 -0.045 50 20 DBGD C[C@@H](C(=O)NNC(=O)C1CCC1)n1cnc2c(N)ncnc21 827215721 BYMSIKPTVKPZTD-ZETCQYMHSA-N 303.326 -0.083 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C[C@H]2CCC(=O)N2)cc1 854261291 YQHHPJOSXVBJFO-LLVKDONJSA-N 318.333 -0.250 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)[C@H]1CCCCO1)C(C)=O 854683630 SHGNFUUVDXPHPN-GHMZBOCLSA-N 314.338 -0.139 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccn(CCn2cccn2)n1 854921532 KUQIFOMQTBOKAI-UHFFFAOYSA-N 307.383 -0.139 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1cc(Cl)ccc1O 856772685 BVHBPCDPEFSAQD-UHFFFAOYSA-N 322.712 -0.018 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CC[C@@H](O)C23CCCC3)N1 858699987 BRPJODCNYZOLNK-VHSXEESVSA-N 310.354 -0.615 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)COc1ccccc1O 859271374 YZDIQSUGFBCMHW-ZDUSSCGKSA-N 309.322 -0.311 50 20 DBGD Cc1cccc2c1O[C@@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)C2 862462427 WVVZDBHBPYLGTE-WDEREUQCSA-N 303.318 -0.275 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cn[nH]c2)CCCC1 862474807 PLZSVGGAHQDWOU-UHFFFAOYSA-N 300.340 -0.472 50 20 DBGD COC(=O)[C@H]1C[C@H]2CC(=NNC(=O)CS(C)(=O)=O)[C@H]1C2 863183829 NUMKEJVZOVJWOP-CIUDSAMLSA-N 302.352 -0.278 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@]12CCOC2=O 863879593 WHNCEEQPPAQOAN-CQSZACIVSA-N 307.086 -0.573 50 20 DBGD COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(B(O)O)cc2)C1 863885284 HJRAWFMLBCUOMG-HNNXBMFYSA-N 305.139 -0.218 50 20 DBGD COC(=O)C[C@H]1CCCCN1C(=O)c1ccc(B(O)O)cc1 864988050 UOYJDFCCILWHKA-CYBMUJFWSA-N 305.139 -0.076 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3COC[C@H]3C2)cc1 872319220 BAQKLEGNTJGSFX-OKILXGFUSA-N 314.345 -0.103 50 20 DBGD CON(C)C(=O)[C@H](C)NC(=O)NNC(=O)CC(F)(F)F 875898620 JDUNFTSGOZKLQC-YFKPBYRVSA-N 300.237 -0.323 50 20 DBGD COC(=O)c1c(S(=O)(=O)NN(C)C(=O)OC)n[nH]c1C 912551694 CNMAMDJZTIMAQS-UHFFFAOYSA-N 306.300 -0.604 50 20 DBGD CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CN1CCCC1=O 913730153 JJMVKJRJNWIPGU-LLVKDONJSA-N 324.381 -0.453 50 20 DBGD CN(C)CCC(=O)NNC(=S)NCCCN1CCOCC1 916124460 UFEUEMJGJVDDIQ-UHFFFAOYSA-N 317.459 -0.844 50 20 DBGD CC1(C)CNC(=O)[C@@H]1NCC(=O)NNC(=O)c1cccs1 931661703 RVUGUIXPLKJROW-JTQLQIEISA-N 310.379 -0.377 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 1116745681 WWXNZUQMNLAKCD-SECBINFHSA-N 320.305 -0.705 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1ccc2c(c1)CCOC2 1118955153 XHHBWXRMELDAKB-UHFFFAOYSA-N 312.347 -0.435 50 20 DBGD CN(C)C(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 1318733181 ZJTWAHMLUOBTTF-UHFFFAOYSA-N 300.340 -0.609 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NN(C)C(N)=O)cc1 1320162002 BNANGDXEIJWABA-UHFFFAOYSA-N 300.340 -0.821 50 20 DBGD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NNc1nncc(N)c1Cl 1321208661 ANEGEICCZLPEDX-XRGYYRRGSA-N 313.749 -0.137 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1(CO)COC1 1322525595 BZKPOCJAYQCGPE-VIFPVBQESA-N 302.327 -0.880 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cnnc(O)c1 1328416670 PHQATUDKCSYPQU-UHFFFAOYSA-N 323.353 -0.114 50 20 DBGD C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329977643 DYMUDTHYZIGGML-IUCAKERBSA-N 300.359 -0.608 50 20 DBGD O=C(NC[C@H]1CCS(=O)(=O)C1)NNc1ncncc1F 1343849522 OXODILLDXIMWCO-SSDOTTSWSA-N 303.319 -0.324 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)OCC(F)(F)F 1347866839 UHSDULBVNIITJH-YFKPBYRVSA-N 304.246 -0.259 50 20 DBGD NCCCCn1cc(C(=O)NNC(=O)C2CCOCC2)nn1 1580296635 VSOYPNIPAQFCNU-UHFFFAOYSA-N 310.358 -0.795 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(C#N)(C(=O)O)CC1 1594645951 UWMCNSLXCMCVES-ZJUUUORDSA-N 324.337 -0.157 50 20 DBGD COc1cc(C(=O)O)ccc1NNC(=O)Cn1ncn(C)c1=O 1599376620 AJMJNORGDSKMNS-UHFFFAOYSA-N 321.293 -0.568 50 20 DBGD Cc1nc(NC(=O)NNC(=S)NCCCC(=O)O)no1 1600715682 YJMGDPHHYUXWJY-UHFFFAOYSA-N 302.316 -0.257 50 20 DBGD Cn1nnnc1SCCC(=O)NNc1ccc(C(=O)O)cn1 1601045557 CHEWTXMSYKICMB-UHFFFAOYSA-N 323.338 -0.071 50 20 DBGD C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1791051602 XBVCXBSODCLBMY-ORMBPQIASA-N 322.764 -0.119 50 20 DBGD COC[C@@H](C)NC(=S)NNC(=O)CNC(=O)c1ccco1 8356330 BHPYTSFJWXRODJ-MRVPVSSYSA-N 314.367 -0.460 50 20 DBGD N#Cc1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)cc1 194883939 JMMQAXBFDFMVGA-UHFFFAOYSA-N 300.318 -0.129 50 20 DBGD CN(C)CC(=O)NNC(=O)CCN1C(=O)COc2ccccc21 263917561 PMRACTOOGDXOEX-UHFFFAOYSA-N 320.349 -0.489 50 20 DBGD CCN(CC)CC(=O)NNC(=O)CNC(=O)c1cccnc1 268828935 KNOSRXIAUQUSJC-UHFFFAOYSA-N 307.354 -0.699 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1ccc([N+](=O)[O-])cc1O 274647118 BJJKFHPMLCWJDV-SNVBAGLBSA-N 311.250 -0.523 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1ccc(Cl)nn1 275753999 DQKHROQMUGIPJQ-UHFFFAOYSA-N 308.751 -0.695 50 20 DBGD CN(C)C(=O)O[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C1 495912405 GCTZATKSYIEFFT-SNVBAGLBSA-N 314.386 -0.048 50 20 DBGD CN(C)C(=O)C1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584924378 IFLXKDZNGIZUNN-UHFFFAOYSA-N 322.145 -0.554 50 20 DBGD CCN(C)C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584955174 RYXILCOPHJBBCF-NSHDSACASA-N 308.162 -0.081 50 20 DBGD CCNC(=O)N1CC[C@H](NC(=O)c2cc(B(O)O)ccc2F)C1 584963499 ZPVBIAVNHHPKHQ-JTQLQIEISA-N 323.133 -0.961 50 20 DBGD O=C(NCCO[C@@H]1CCCCO1)c1cc(B(O)O)ccc1F 584990851 MKLAENGTMPPPLW-CYBMUJFWSA-N 311.118 -0.222 50 20 DBGD C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cccc(B(O)O)c1 584992096 HPLPGPWGBZVVSJ-IUODEOHRSA-N 318.182 -0.698 50 20 DBGD OCCOC1(CNCc2cccc(B(O)O)c2)CCOCC1 585043107 XWUMQZGNMHPKOP-UHFFFAOYSA-N 309.171 -0.986 50 20 DBGD COc1ccc(C(=O)NNC(=O)CCNC(N)=O)cc1OC 725906186 ROGZHZMDEIHATL-UHFFFAOYSA-N 310.310 -0.477 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CC1)N1C(=O)NC2(CCCC2)C1=O 726521769 RKFHWYFAHPDHRV-MRVPVSSYSA-N 308.338 -0.203 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)c1c[nH]nc1C 732082381 DZWRJVJWDQEDDX-UHFFFAOYSA-N 306.282 -0.400 50 20 DBGD CCCC[C@H](COC)NC(=O)NNC(=O)C(=O)NC1CC1 737061110 IKSRRKCIITWUQG-SNVBAGLBSA-N 300.359 -0.199 50 20 DBGD O=C(COC(=O)[C@@H]1C[C@@H]1C(=O)O)NNC(=O)c1ccccc1 739317231 AANGXKDKIIVRII-VHSXEESVSA-N 306.274 -0.289 50 20 DBGD CC(C)CCOCCNC(=O)NNC(=O)C(=O)NC1CC1 743356405 KKBMDTVEGWOBAX-UHFFFAOYSA-N 300.359 -0.342 50 20 DBGD Cn1cc(N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)cn1 746668134 MHPPYVDZTHBNGQ-UHFFFAOYSA-N 322.413 -0.264 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccn2)co1 755377212 ZOCJKCFPIKXWIZ-UHFFFAOYSA-N 324.318 -0.343 50 20 DBGD CC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)c(C)c1 775249252 IPLYNJWSGFCDGH-UHFFFAOYSA-N 302.308 -0.212 50 20 DBGD C[C@H](NCC(=O)NNC(=O)c1ccccc1)c1ncn(C)n1 781950927 YJKJXHRJVMRYQE-JTQLQIEISA-N 302.338 -0.073 50 20 DBGD NC(=O)C(=O)NNC(=O)c1cc(F)ccc1Br 792523109 LQNUJAXBBRQZOO-UHFFFAOYSA-N 304.075 -0.166 50 20 DBGD NS(=O)(=O)N1CCC(C(=O)NCC(Cl)Cl)CC1 808131538 ZCKHLVAGYHSDSO-UHFFFAOYSA-N 304.199 -0.178 50 20 DBGD O=C(CN1CC[C@@H](CO)[C@@H](O)C1)NNC(=O)c1ccccc1 808750123 GUSZPXXDLYEXSN-STQMWFEESA-N 307.350 -0.877 50 20 DBGD CN1CCCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 823014281 NSJPEGSSBWMRJM-NEPJUHHUSA-N 303.428 -0.037 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N[C@@H](CO)[C@H]1CCCOC1 827258899 GAQLWSKGEMSIEG-BJDJZHNGSA-N 315.370 -0.471 50 20 DBGD CC(=O)N1CCCN(C(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 827268858 SROSEDWVCQOIMY-JQWIXIFHSA-N 312.370 -0.294 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2nn(C)c3c2CCCC3)CC1 830240765 NWAQMUANHKLMMJ-UHFFFAOYSA-N 320.397 -0.099 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1CN 841952345 BOYBLRBYZMPJET-UTUOFQBUSA-N 316.402 -0.114 50 20 DBGD CS(=O)(=O)N1CC[C@H](NC(=O)NNc2ccc(F)cn2)C1 846722950 XKDFNTWPHCRZFL-VIFPVBQESA-N 317.346 -0.119 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 850412415 XDRPRJHAKSBMOV-UHFFFAOYSA-N 319.321 -0.235 50 20 DBGD CNC(=S)N(C)NC(=O)CCn1cc([N+](=O)[O-])nc1C 854925185 FNQQJHLRAJIREG-UHFFFAOYSA-N 300.344 -0.043 50 20 DBGD O=C(CCN1CCCS1(=O)=O)NNc1ncc(Cl)cn1 857356224 WXCVFNRDFBAVQS-UHFFFAOYSA-N 319.774 -0.001 50 20 DBGD COCCC1(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCC1 858298243 PBMVKOBVSHWKEY-JTQLQIEISA-N 312.370 -0.198 50 20 DBGD Cn1c(O)nc2ccc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc21 862457748 PQMRWYJQIOOPLO-SECBINFHSA-N 317.305 -0.682 50 20 DBGD CCOc1nccc(C)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862458301 CAPOWKHFBUGEAY-VIFPVBQESA-N 306.322 -0.172 50 20 DBGD Cc1ccc2nc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cn2c1 862464319 WVULRKYYQCVMTM-SECBINFHSA-N 301.306 -0.318 50 20 DBGD COC(=O)[C@@H]1C[C@H]2CC(=NNC(=O)CS(C)(=O)=O)[C@H]1C2 863183831 NUMKEJVZOVJWOP-XHNCKOQMSA-N 302.352 -0.278 50 20 DBGD CN(CC(=O)NNc1nc(O)c2cnn(C)c2n1)C1CCC1 863872857 NMGULTYHFSTZCM-UHFFFAOYSA-N 305.342 -0.004 50 20 DBGD C[C@H](NC(=O)c1cc(B(O)O)ccc1F)C(=O)OC(C)(C)C 863873681 GZFYOIDWMHNRLH-QMMMGPOBSA-N 311.118 -0.035 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 910162911 KXXDYBBKZKDJBM-MNOVXSKESA-N 317.386 -0.034 50 20 DBGD C[C@]1(C(=O)N2CC(NS(C)(=O)=O)C2)C[C@@H]1Br 913009191 CIONLCZQZNTWSD-CBAPKCEASA-N 311.201 -0.080 50 20 DBGD Cn1nc(C(=O)NNC(=O)CN2CCCC2=O)c2ccccc21 913730501 XXSBSOMEENZCEL-UHFFFAOYSA-N 315.333 -0.043 50 20 DBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)c1ccccc1O 1318484094 UYHGZSQZGIZCQD-MRVPVSSYSA-N 315.351 -0.231 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)nc1 1318846909 YHQQNSKUFHYGSX-MRVPVSSYSA-N 301.299 -0.584 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)c1ccc2nnc(O)n2c1 1320330535 PLRIXYDPGAEMEN-UHFFFAOYSA-N 312.289 -0.166 50 20 DBGD COCCn1cc(NC(=O)C(=O)NNC(=O)CC(C)C)cn1 1321140657 PJSWCMVLOZESCX-UHFFFAOYSA-N 311.342 -0.339 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccn(C)c(=O)c1 1324764114 MZFYMCSTZOTXPX-UHFFFAOYSA-N 300.409 -0.143 50 20 DBGD C[C@H](NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1329058566 BQIQRMKAENIKDD-YUMQZZPRSA-N 317.333 -0.323 50 20 DBGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)C1CCOCC1 1330831787 ZMPNVWXFTCUEQL-JTQLQIEISA-N 312.370 -0.246 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CC12CCNCC2 1347742489 VVJBHIYDLIDYBA-SNVBAGLBSA-N 309.370 -0.919 50 20 DBGD CCc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n(C)n1 1349152650 JZQDOZMPXWNXBO-WCBMZHEXSA-N 323.353 -0.507 50 20 DBGD COCCOCC(=O)NNC(=O)c1cnn(C)c1C(F)(F)F 1352008796 CVZLVLVHSSXGRN-UHFFFAOYSA-N 324.259 -0.137 50 20 DBGD CN(C)N(C(=O)[C@H](N)CCCCC#N)[C@H]1CCS(=O)(=O)C1 1578420594 RCQXCKSXHHOTAR-NWDGAFQWSA-N 316.427 -0.110 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)NC[C@@H]1CCN1 1579872174 BVIIXLWTXDEPGG-JTQLQIEISA-N 302.338 -0.051 50 20 DBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)[C@H]1CC[C@@H](C(=O)O)C1 1594783161 UOEWXHCHGHRLBR-AEJSXWLSSA-N 321.337 -0.511 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O 1601552846 KHRCMDYWHGGJSX-SECBINFHSA-N 324.268 -0.654 50 20 DBGD CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)CO 1604453962 MGWWZIUIFWNXHL-UHFFFAOYSA-N 321.297 -0.590 50 20 DBGD O=C(NN=C1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)cc1 1609557546 VQMQGFFTRPFGEP-UHFFFAOYSA-N 320.334 -0.229 50 20 DBGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cn1 1609700442 WXHREVXGYPYCGQ-UHFFFAOYSA-N 324.293 -0.713 50 20 DBGD CCOCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 66702251 IUBKLYAUUCZHNC-UHFFFAOYSA-N 304.347 -0.122 50 20 DBGD C[C@@]1(NNC(=O)NC[C@@H]2CCCCO2)CCS(=O)(=O)C1 140113797 ZODRZPSMJPRAGW-CMPLNLGQSA-N 305.400 -0.064 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C 264436244 MATKQLDYFVTGMQ-UHFFFAOYSA-N 316.358 -0.475 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 282478684 GYAVJWMZRDASLB-JOYOIKCWSA-N 321.333 -0.113 50 20 DBGD Cn1c(O)nc(=O)c2cc(C(=O)NNC(=O)CC3CC3)cnc21 294145666 LZBBTTVXALPTOZ-UHFFFAOYSA-N 317.305 -0.405 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cn1 365393185 PLTYTZFKDYPBSF-LBPRGKRZSA-N 314.301 -0.037 50 20 DBGD CCC(=O)N[C@@H](CCSC)C(=O)Nc1cccc(B(O)O)c1 584911753 XYXQTBZENKGXKC-LBPRGKRZSA-N 324.211 -0.047 50 20 DBGD COC1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725871341 APFLSVSHYPGNDD-UHFFFAOYSA-N 324.337 -0.139 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(F)ccc1C(=O)OC 727357806 RROOZCRNQFTYPY-UHFFFAOYSA-N 305.287 -0.265 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)Cc1cccnc1 728799044 OOCIXKQQSPNPHW-UHFFFAOYSA-N 309.395 -0.356 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 729274921 HNLNYDDAUVBISI-KATARQTJSA-N 303.384 -0.492 50 20 DBGD O=C(CC[C@H]1CCCCO1)NNC(=O)[C@H]1CCS(=O)(=O)C1 731965448 YGMNILNEFUWIBA-WDEREUQCSA-N 318.395 -0.082 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N(C)C 732062109 QACOQSGFSUEXPX-VHSXEESVSA-N 320.415 -0.910 50 20 DBGD COCCn1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)cn1 756067096 RHVFFRASGUMLGO-UHFFFAOYSA-N 307.314 -0.352 50 20 DBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCC1 770956640 WGOGQZFZCGQIDU-SECBINFHSA-N 305.400 -0.102 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccccn1 772140418 AEKMEEIYPMIOMM-VIFPVBQESA-N 322.321 -0.700 50 20 DBGD C[C@@H](C(=O)NNC(=O)N=c1cc[nH]cc1)N1CCN(C)CC1 802028432 WXWDFZIKEYCSLM-NSHDSACASA-N 306.370 -0.708 50 20 DBGD O=C(NC[C@@H]1COCCO1)NNc1ccc(-n2ccnc2)nn1 804970541 NXPPTXBKANVSMY-SNVBAGLBSA-N 319.325 -0.296 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(C)nc(NC)n1 805621432 JRXROOKGGKAHEE-QMMMGPOBSA-N 309.326 -0.071 50 20 DBGD CS(=O)(=O)C1(CNC(=O)NNc2ncncc2F)CC1 814328294 VAXMLRJQIREWLO-UHFFFAOYSA-N 303.319 -0.181 50 20 DBGD N#CSCCCNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 816539039 PVCKILAUFLSNGN-CNVPUSNMSA-N 323.374 -0.131 50 20 DBGD CC(C)[C@@H](C(=O)NNC(=O)CC1CC1)N1CCCS1(=O)=O 819118391 TXGBOMQXPBQRSM-LBPRGKRZSA-N 317.411 -0.006 50 20 DBGD O=C(O)C[C@H]1CCCN(C(=O)NNC(=O)[C@@H]2COCCO2)C1 819365045 MPHOKSSVCQSZCA-ZJUUUORDSA-N 315.326 -0.671 50 20 DBGD CCN(CCO)NC(=O)CCNS(=O)(=O)c1cccs1 823833735 GZVBHCOPFCFMOT-UHFFFAOYSA-N 321.424 -0.238 50 20 DBGD COC(=O)C[C@H]1CSCCN1CC(=O)NNC(=O)C(C)C 828052778 KGXFQFKXDJKSLA-JTQLQIEISA-N 317.411 -0.230 50 20 DBGD Cc1nnc(COCC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)s1 843652390 AYTFHHWHPYCVAL-APPZFPTMSA-N 314.367 -0.064 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2nc(C)n(C)c2=O)c(O)c1 848370766 JETAOZMYFISJCR-UHFFFAOYSA-N 319.321 -0.635 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 854919696 BGUWPIIHZKUOQU-MRVPVSSYSA-N 316.383 -0.060 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NC[C@H]2Cc3ccccc3O2)N1 858134234 MPBOGKCOEVMHSX-GHMZBOCLSA-N 318.333 -0.401 50 20 DBGD CC[C@H](C)[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OC 858503459 ATTGHLDNGSAMHT-IVZWLZJFSA-N 300.359 -0.344 50 20 DBGD CCO[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858701647 YFAKGWNKQXJJQZ-GMTAPVOTSA-N 312.370 -0.057 50 20 DBGD CC(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 862451263 LCZUADVJGIIPGM-LBPRGKRZSA-N 303.318 -0.142 50 20 DBGD Cc1ccc(F)c(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 863412033 FWRSDZWPHZQJAW-VIFPVBQESA-N 315.326 -0.278 50 20 DBGD Cc1nn(C(C)(C)C)cc1C(=O)NNC(=O)CS(C)(=O)=O 863464532 IIXSMRNUIYPVKC-UHFFFAOYSA-N 316.383 -0.248 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1Cc2ccc(F)cc21 863466494 UIFVIZOLORSWNO-SNVBAGLBSA-N 300.311 -0.343 50 20 DBGD COC(=O)[C@H](COC(C)C)N(C)C(=O)c1cccc(B(O)O)c1 863875946 IVAPRSQKNMBDDX-ZDUSSCGKSA-N 323.154 -0.595 50 20 DBGD CN1CCO[C@@H](C(=O)NNc2ncnc3ccsc23)C1=O 901107009 SVXPTTMMBVHZGA-QMMMGPOBSA-N 307.335 -0.008 50 20 DBGD CS(=O)(=O)CCNC(=S)NNC(=O)NCC(F)(F)F 1115992172 KKRFOBKWXREKFS-UHFFFAOYSA-N 322.334 -0.728 50 20 DBGD Nc1cnnc(NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1Cl 1116285138 BVXFGQQPGMXOAT-YFKPBYRVSA-N 320.762 -0.475 50 20 DBGD COC(=O)COc1ccc(NC(=O)NNC(=O)CCO)cc1 1116610230 RJTOTPBYMMIEDE-UHFFFAOYSA-N 311.294 -0.227 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)c2ncn(C)n2)nc1C 1117640758 CYGHCFQRRMXWQN-UHFFFAOYSA-N 305.298 -0.153 50 20 DBGD COC(=O)C(=O)NNC(=O)NC1CCC(C(=O)OC)CC1 1318881673 CGXJQINXEHXHKF-UHFFFAOYSA-N 301.299 -0.778 50 20 DBGD N#Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccnc2)cn1 1321549215 DBRVOORNFVOYIL-UHFFFAOYSA-N 317.330 -0.100 50 20 DBGD COC(=O)C(=O)NNC(=O)NCC1(C(=O)N(C)C)CCCC1 1323457437 YXBUAXMGILVVNA-UHFFFAOYSA-N 314.342 -0.862 50 20 DBGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)NC)ccnc12 1324463203 JQSBDQIAEGXRMX-UHFFFAOYSA-N 306.282 -0.520 50 20 DBGD Nc1cnnc(NNC(=O)c2n[nH]c3c2CNCC3)c1Cl 1328522347 KEGBMCVBHHBWTL-UHFFFAOYSA-N 308.733 -0.162 50 20 DBGD Cc1ncsc1CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329175023 LJUFOHQFCZJGDB-QMMMGPOBSA-N 311.367 -0.397 50 20 DBGD N#CCOc1ccccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1331802724 HTNWHCRIMITJCQ-SNVBAGLBSA-N 302.290 -0.371 50 20 DBGD CN(C)C(=O)C1CCC(C(=O)NNC(=O)Cc2cc[nH]n2)CC1 1333956065 LMYLFKPRNFGLSW-UHFFFAOYSA-N 321.381 -0.006 50 20 DBGD O=C(NNc1nc2ccccn2n1)N[C@H]1CCS(=O)(=O)C1 1339305041 DDYIKCWBRQEWDE-QMMMGPOBSA-N 310.339 -0.458 50 20 DBGD COCCCNC(=O)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1347646354 GWRSNDUNEZRGDY-JTQLQIEISA-N 321.399 -0.432 50 20 DBGD O=C(NCc1cccnn1)NNc1ccc(-c2nn[nH]n2)cn1 1593145649 FOXNAZQIKJHEPZ-UHFFFAOYSA-N 312.297 -0.122 50 20 DBGD O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1n[nH]c(O)n1 1593160336 SUTFENXDICGBNB-UHFFFAOYSA-N 322.676 -0.504 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCC1)c1nc[nH]c2ncnc1-2 1594778925 DJMNOAPACPQJFR-UHFFFAOYSA-N 304.266 -0.680 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](O)C[C@@H]2C(=O)O)cc1 1600341705 WUMKYCHCDCGQKR-NWDGAFQWSA-N 321.333 -0.724 50 20 DBGD O=C(NCC[S@](=O)Cc1ccccc1)NNC(=O)C(=O)O 1601507746 UEMFWEXYFUSAGY-NRFANRHFSA-N 313.335 -0.650 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 1604421421 HEPJCQKINXYFRX-UHFFFAOYSA-N 320.313 -0.241 50 20 DBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795527185 CRYCEJODMAWPNB-DTHBNOIPSA-N 303.790 -0.448 50 20 DBGD NC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 25785409 QDSKRSCHOXCSCT-UHFFFAOYSA-N 322.340 -0.216 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1F 49049045 KNVQSAOTLUTCHZ-UHFFFAOYSA-N 305.287 -0.265 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(F)c(F)cc1F 115719926 JPIJHTJBLHPYBV-UHFFFAOYSA-N 318.255 -0.201 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 247638800 UNHBZXOYNQKZOD-NAKRPEOUSA-N 306.366 -0.016 50 20 DBGD O=C(NNS(=O)(=O)N1CCOCC1)c1ccccc1O 265041731 WODLILKTAAZMHU-UHFFFAOYSA-N 301.324 -0.796 50 20 DBGD COc1ccccc1C(=O)NNS(=O)(=O)N1CCOCC1 268784949 RMCZQAMDZKFVER-UHFFFAOYSA-N 315.351 -0.493 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1ccc(F)c(F)c1 277982623 OSSXVBOVJVCVMG-UHFFFAOYSA-N 315.276 -0.387 50 20 DBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)CC2CC2)C1=O 294296237 WOUAGRYMNBYZBE-CQSZACIVSA-N 308.338 -0.346 50 20 DBGD CNC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)c1ccc(F)cc1 298048812 HOMZJSLCGZVNHS-LBPRGKRZSA-N 322.340 -0.203 50 20 DBGD CN(C)CC(=O)NNC(=O)CCN(C)C(=O)OC(C)(C)C 497043132 APYRGXAUCDXSAF-UHFFFAOYSA-N 302.375 -0.048 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](OC(=O)N(C)C)C1 497123566 DAAXLXQIXNXDJZ-NXEZZACHSA-N 300.359 -0.295 50 20 DBGD O=C(NCCc1nncn1C1CC1)c1cc(B(O)O)ccc1F 584941233 HOYUYVNKYKYARP-UHFFFAOYSA-N 318.117 -0.596 50 20 DBGD OB(O)c1ccccc1CNC[C@@H]1CN2CCCC[C@@H]2CO1 585032654 XVGMQWFXRBPWQN-HUUCEWRRSA-N 304.199 -0.291 50 20 DBGD Cc1c(C(=O)NCB(O)O)nnn1Cc1ccc(F)cc1F 585062370 GPAVOMUCOGZAAT-UHFFFAOYSA-N 310.069 -0.345 50 20 DBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)c1ccc[nH]1 727483108 HKKDMVRFZSHDKT-UHFFFAOYSA-N 302.290 -0.089 50 20 DBGD COCCOCCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 728753182 YSFYTDVTEDLEKY-LBPRGKRZSA-N 323.415 -0.580 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCNC2=O)c1 728870793 FGKFEFHGLPBSQD-UHFFFAOYSA-N 301.306 -0.265 50 20 DBGD COC(=O)[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCO1 732200773 ORXBLZHERHQVDI-MNOVXSKESA-N 315.370 -0.558 50 20 DBGD C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1cnn(C)c1 735471101 OFCAPRVWBHSQSB-MRVPVSSYSA-N 305.294 -0.407 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)CC(F)(F)F)C(C)C 741280887 ZRZOTLAOHOXOEX-VIFPVBQESA-N 313.276 -0.127 50 20 DBGD CC(C)OCCCNC(=O)NNC(=O)C(=O)N1CCCC1 748445573 AQMQCHJDJZJCCT-UHFFFAOYSA-N 300.359 -0.246 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@H]1CCCN1C 748624746 JXCXNQVHNJNWNY-GHMZBOCLSA-N 302.375 -0.538 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)NC[C@]1(C)CCOC1 748635939 UHRYJORGZHTYPR-GWCFXTLKSA-N 303.359 -0.205 50 20 DBGD N#Cc1cccc(NNC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 749260734 VPXNVIUHKVXYCY-UHFFFAOYSA-N 320.334 -0.455 50 20 DBGD CCN(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CC1 750828693 BLDMBCHPVJHXKM-VIFPVBQESA-N 303.384 -0.947 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 757797074 PLFMVLYBJWDXJI-KCJUWKMLSA-N 309.370 -0.922 50 20 DBGD CC1(C)OCC(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CO1 758736444 POIWBMOCUQIZHS-LBPRGKRZSA-N 321.399 -0.481 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1C 764317421 KBOSCCRCBQRKJS-UHFFFAOYSA-N 304.306 -0.011 50 20 DBGD CC(C)CC(=O)NNC(=O)Nc1nc(CS(C)(=O)=O)no1 765242871 HPBQRUNISRSOTD-UHFFFAOYSA-N 319.343 -0.187 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CCN(C)C1=O 776106932 ILHNOZQSTOTRKS-SNVBAGLBSA-N 320.349 -0.267 50 20 DBGD Cn1cc(C(=O)NNc2cc(Cl)ccn2)c(=O)n(C)c1=O 778451200 GGTUVGXWTYNSHO-UHFFFAOYSA-N 309.713 -0.111 50 20 DBGD CCNC(=O)N(C)NC(=O)CCCS(=O)(=O)N1CCCC1 780712060 VXSIXAJEBFUUGV-UHFFFAOYSA-N 320.415 -0.115 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccnc(-n2cncn2)c1 802025638 LAPDKUFBUHHMNX-UHFFFAOYSA-N 324.304 -0.054 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc2c(=O)[nH]ccc2c1 803437321 NGJBYEXNZHHZEX-QMMMGPOBSA-N 324.362 -0.091 50 20 DBGD CC[C@@H](C)C(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807964301 CWSXMDRTQHQMDK-SECBINFHSA-N 309.370 -0.354 50 20 DBGD CCCNC(=O)NNC(=O)[C@@H]1COCCN1CC(F)(F)F 822800330 VBSQZOAWGRLUDV-QMMMGPOBSA-N 312.292 -0.010 50 20 DBGD C[C@H](C(=O)NNC(=O)NCC1CC1)n1cnc2c(N)ncnc21 823803880 GVBOWFPHPOSCCG-SSDOTTSWSA-N 318.341 -0.290 50 20 DBGD CCN(CCO)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 823873377 ALMNZWWKLLVBMP-UHFFFAOYSA-N 305.338 -0.470 50 20 DBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)C(=O)N1CCCC1 825530011 PVVHBDSOMWAWNA-SNVBAGLBSA-N 306.322 -0.381 50 20 DBGD CC(C)C(=O)NNC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 830052739 PDGZTZKWNAYNID-ZFWWWQNUSA-N 313.398 -0.301 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 842589056 HEACVAHWVVVLPK-WCBMZHEXSA-N 315.351 -0.175 50 20 DBGD O=C(CN1CC[C@H](CN2CCCC2=O)C1)NNC(=O)C1CC1 852679867 FAOFHZXOZOJTRO-NSHDSACASA-N 308.382 -0.512 50 20 DBGD COCCCNC(=S)N(C)NC(=O)CCNC(=O)OC 854282488 XYMPTIVMDAUWSZ-UHFFFAOYSA-N 306.388 -0.394 50 20 DBGD CCOc1ccc(NNC(=O)CNS(=O)(=O)N(C)C)cc1 854657287 YZSAZDSVPXGETB-UHFFFAOYSA-N 316.383 -0.076 50 20 DBGD CSc1cc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)ccn1 858341726 LJCIAOZPNRPEKA-SECBINFHSA-N 323.378 -0.088 50 20 DBGD CCn1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c(C)n1 859061953 AXQZRKKFYQCBNV-UHFFFAOYSA-N 319.321 -0.005 50 20 DBGD CC(C)Cn1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 860704669 IEMSDMVMCVFMMC-JTQLQIEISA-N 308.342 -0.030 50 20 DBGD Cc1cccn2cc(CC(=O)NNC(=O)CS(C)(=O)=O)nc12 863461096 WLBSWVKBXBMXFJ-UHFFFAOYSA-N 324.362 -0.623 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 863866389 TZISNMAMHUPOSR-WYCDGMCDSA-N 321.399 -0.869 50 20 DBGD COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1ccc(B(O)O)cc1 863878487 GMZCZHHKYXFHKQ-ZWNOBZJWSA-N 305.139 -0.220 50 20 DBGD COC(=O)[C@@H](CNC(=O)c1cccc(B(O)O)c1)CC1CC1 863886815 NXHKUBUCLUQDLL-GFCCVEGCSA-N 305.139 -0.315 50 20 DBGD Cc1noc(COc2ccc(C(=O)NNC(=O)CO)cn2)n1 863903352 DDSWYWGYHHKQCP-UHFFFAOYSA-N 307.266 -0.895 50 20 DBGD C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)n1cccn1 912994536 RPUKGJCEUSKWMP-WDEREUQCSA-N 300.384 -0.064 50 20 DBGD CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCOC2)cc1 921151606 VGJAIWMQFOYKAU-SNVBAGLBSA-N 312.347 -0.112 50 20 DBGD CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)cc1 928732953 HTGLQIMVRUJOGE-ZDUSSCGKSA-N 318.182 -0.114 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccnc1 1115942171 MOAUIGHGIUVEQP-UHFFFAOYSA-N 317.305 -0.065 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc(C(=O)N(C)C)cc1 1116181768 IETQNRCKHVMRNX-UHFFFAOYSA-N 322.321 -0.608 50 20 DBGD CCn1ccc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)n1 1261503482 BJESVGICRUMDTH-GFCCVEGCSA-N 314.411 -0.062 50 20 DBGD O=C(NCC1CCN(C2CC2)CC1)NNC(=O)C(=O)NC1CC1 1321024603 LMOOAKPURRKPDF-UHFFFAOYSA-N 323.397 -0.530 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1cccc(OCC#N)c1 1324515492 FDFZAEVVRKLGMC-UHFFFAOYSA-N 318.333 -0.197 50 20 DBGD COc1ccc(C(=O)NNC(=O)NCc2cnnn2C)cc1 1325076601 HGMLFHZKLOGDOK-UHFFFAOYSA-N 304.310 -0.032 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1cnccn1 1325266161 LBEXZKZEMFYTAS-UHFFFAOYSA-N 316.339 -0.760 50 20 DBGD Cc1c(C(=O)NNC(=O)N(C)C)nnn1Cc1ccncc1 1327858085 JESHXQHDCQYBQE-UHFFFAOYSA-N 303.326 -0.054 50 20 DBGD CNCCN(C)C(=O)C(=O)NC[C@]1(C)C[C@@H]1Br 1329574084 XIQCWHBHPHOEGO-KWQFWETISA-N 306.204 -0.046 50 20 DBGD COC(=O)C(=O)NN=C(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1330030829 WUGVUKARKBOYLZ-UHFFFAOYSA-N 304.262 -0.770 50 20 DBGD CO[C@@]1(C(=O)NNc2ncccc2F)CCS(=O)(=O)C1 1334935117 SQNLROTUJMTXBN-NSHDSACASA-N 303.315 -0.133 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(-n2ccnc2)nn1 1344523808 LSUORIMJODWXTH-UHFFFAOYSA-N 303.351 -0.043 50 20 DBGD CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(=O)O)C1 1597250592 TVWZKQFIJKMXBU-UAXAAPNGSA-N 305.356 -0.519 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1coc(-c2nn[nH]n2)c1 1603953794 ATFAYGLXZHGWNV-XPUUQOCRSA-N 306.282 -0.354 50 20 DBGD COc1cc(C(=O)O)ccc1NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 1607140623 VRJRYYRNBGYQJS-ZJUUUORDSA-N 323.305 -0.131 50 20 DBGD N#CCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 1609495071 UGOSMUNJQJBWLB-UHFFFAOYSA-N 301.266 -0.693 50 20 DBGD Cc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)cc1F 1610513700 OYBPILJJPCHHQQ-UHFFFAOYSA-N 305.287 -0.289 50 20 DBGD C[C@H](CN1CCOCC1)C(=O)NN=Cc1cc(C(=O)O)nn1C 1776022792 MLALUXLOPYHCCS-SNVBAGLBSA-N 323.353 -0.463 50 20 DBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)NC1CC1 8392482 SAQPSAXGUDMHJC-UHFFFAOYSA-N 302.290 -0.637 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 139656419 SYHDZAKQJWLKAC-UHFFFAOYSA-N 322.321 -0.002 50 20 DBGD CS(=O)(=O)NCCCNS(=O)(=O)CCCCCl 153384200 WPRRLZDSAONROH-UHFFFAOYSA-N 306.837 -0.136 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)o1 176219521 JSWXKPSCSGQXDU-LLVKDONJSA-N 322.365 -0.241 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cccc(N2CCCNC2=O)c1 267226293 OVAHOBOOZSNCCU-UHFFFAOYSA-N 319.365 -0.071 50 20 DBGD COC(=O)C[C@H](NS(=O)(=O)CBr)C(=O)O 275234363 JQLNTVDKPSIEBO-BYPYZUCNSA-N 304.118 -0.726 50 20 DBGD COC(=O)N(C)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 286540876 YRNIXVZFCQBESQ-UHFFFAOYSA-N 314.323 -0.787 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)Cc2cnn(C)c2C)n1 292080466 WVAFMHCPXAAVDV-UHFFFAOYSA-N 304.354 -0.068 50 20 DBGD O=C(CN1CCCCCCC1=O)NNC(=O)N1CCOCC1 363153381 PBOGKSBORRGGLJ-UHFFFAOYSA-N 312.370 -0.148 50 20 DBGD C=CCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCS(=O)(=O)C1 584934360 SGGLIMAJIKDNLL-CYBMUJFWSA-N 323.179 -0.818 50 20 DBGD C[C@@H]1OCC[C@]12CN(C(=O)c1cc(B(O)O)ccc1F)CCO2 584985910 SECCSFSMWCDKPT-BONVTDFDSA-N 323.129 -0.475 50 20 DBGD CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(B(O)O)o2)C1 585030088 WEWFMXHLYRITHG-MWLCHTKSSA-N 301.173 -0.595 50 20 DBGD COCCNC(=O)[C@H](CC(C)C)NCc1ccc(B(O)O)cc1 585031645 IMVXNFJIZYWVIG-HNNXBMFYSA-N 322.214 -0.367 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@@H](CNCc2ccc(B(O)O)cc2)O1 585034724 NBRNHBFRAWDQGA-UONOGXRCSA-N 306.171 -0.908 50 20 DBGD C[C@H]1Cc2cc(C(=O)NCB(O)O)ccc2N1S(C)(=O)=O 585057717 JSKKVSUCTRMXNL-QMMMGPOBSA-N 312.156 -0.861 50 20 DBGD C[C@]1(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CCOC1 733341453 BTGSPONFNKMZIO-CQSZACIVSA-N 324.337 -0.234 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)CCNC(=O)O)C[C@H](C)O1 736810344 OBWMMJJZYFKEJY-UWVGGRQHSA-N 316.358 -0.709 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2sccc2-c2nn[nH]n2)cn1 737602753 LUFLCFTXEFYKJP-UHFFFAOYSA-N 318.322 -0.264 50 20 DBGD COCCC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744940180 RRWWNPWPLHGCBL-UHFFFAOYSA-N 305.290 -0.101 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(C)(C)CO)CC1 747840511 OXKRBYVCRAOVDX-NSHDSACASA-N 300.403 -0.679 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)N(C)C)ccc1F 752518861 KDBCMIBYAYJJLB-UHFFFAOYSA-N 318.330 -0.350 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(OC)c1 764300479 RABYMBCZJAIVBX-UHFFFAOYSA-N 311.294 -0.564 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 771601802 CZWCXGHRAQGWRY-CABZTGNLSA-N 319.317 -0.405 50 20 DBGD COC(=O)NCCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772132446 CEZOAFHCEHZEKR-VIFPVBQESA-N 317.342 -0.142 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)N1CCN(C)CC1 773657509 HAVGWTRDGCQLGK-UHFFFAOYSA-N 320.415 -0.955 50 20 DBGD COCc1nn(CC(=O)NNC(=O)c2cccs2)c(=O)o1 776847196 JJIXWDUVVIQIBW-UHFFFAOYSA-N 312.307 -0.495 50 20 DBGD COc1ccc(-c2noc(CCC(=O)NNC(=O)CO)n2)cc1 777782067 XABKQJZNIXPCGK-UHFFFAOYSA-N 320.305 -0.183 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc3nn[nH]c3cc2F)CC1 807381963 QWPUHFZFHUEBBO-UHFFFAOYSA-N 321.316 -0.301 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCOC[C@H]1CCOC1 825979294 NPPUZDSOHMPGLA-SRVKXCTJSA-N 315.370 -0.205 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)cn1 827076189 NCEWVAFHPPDDQZ-JTQLQIEISA-N 322.369 -0.237 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1NC(=O)O[C@H]1C 841375481 GQCGQSLSQRVRKT-QPUJVOFHSA-N 323.305 -0.282 50 20 DBGD CON1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1 846980110 UQCYIBHQWHVIBH-UHFFFAOYSA-N 306.366 -0.065 50 20 DBGD C[C@@]1(CNC(=O)C(=O)NCCC(=O)O)C[C@H]1Br 857101624 ZSENMFRCOSTRDV-LDWIPMOCSA-N 307.144 -0.133 50 20 DBGD COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NNc1cnnn1C)C2 857270698 LGWSTPIAQBWRSS-AEJSXWLSSA-N 306.326 -0.099 50 20 DBGD CC(C)CO[C@H]1CCN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 858698018 XDBCIOZUMQHAHH-QWRGUYRKSA-N 312.370 -0.247 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1 858987471 RDSSLLBKWFXZIZ-BDAKNGLRSA-N 302.331 -0.706 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1C 861946767 UKHUYVBVMREGPO-NSHDSACASA-N 318.333 -0.332 50 20 DBGD COC(=O)[C@H](NNC(=O)[C@H]1CCC(=O)N1)c1cccc(C#N)c1 863378757 JRAHBFZXYUHJBJ-DGCLKSJQSA-N 316.317 -0.328 50 20 DBGD CN1CCN(C(=O)NN=Cc2cn(C[C@H]3CCCO3)nn2)CC1 872368229 FDRSOSAHFBGMRF-CYBMUJFWSA-N 321.385 -0.252 50 20 DBGD CO[C@]1(C(=O)NNC(=S)NC(C)(C)C)CCS(=O)(=O)C1 899992353 BONPJMKPLXZVLX-LLVKDONJSA-N 323.440 -0.516 50 20 DBGD CCOC(=O)[C@H]1CCCN(CC(=O)NNC(=O)N(C)C)C1 900427109 FEJRAKUUWXLXLF-JTQLQIEISA-N 300.359 -0.436 50 20 DBGD CC[C@@H](C)C(=O)NNS(=O)(=O)c1n[nH]cc1C(=O)OC 912523593 JIVWZVNZILSSAH-ZCFIWIBFSA-N 304.328 -0.448 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccn(CC(F)F)n1 913732899 NCABGDDGTILVKC-UHFFFAOYSA-N 315.280 -0.468 50 20 DBGD CCN1C[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 914717272 HOGFRBLINSSMKQ-GHMZBOCLSA-N 317.411 -0.653 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccccc1[N+](=O)[O-] 920824376 VEKZWGXHSNMASA-UHFFFAOYSA-N 306.278 -0.022 50 20 DBGD O=C(CCc1ccc2c(c1)CCO2)NNC(=O)C(=O)NC1CC1 1116245148 KNSVOSLERACXBA-UHFFFAOYSA-N 317.345 -0.020 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cncc(Cl)n1 1116770832 UUULLGNVDFASHM-LURJTMIESA-N 318.742 -0.674 50 20 DBGD COCCS(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 1318637774 RZMBBPYLZSGPRJ-UHFFFAOYSA-N 302.356 -0.501 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1nncn1-c1ccccc1 1318941202 FYJMTFBSCIYSBD-UHFFFAOYSA-N 318.293 -0.729 50 20 DBGD CCO/C=C(\C#N)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1319671915 OVRHFEBMJSOIQS-SPQRFVMMSA-N 301.368 -0.172 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc[nH]2)O1 1319806689 XMBNINQBDSCVKY-MWLCHTKSSA-N 323.353 -0.406 50 20 DBGD CC[C@@H]1C[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCO1 1320192866 ZSDMTVXFSOBHSK-GARJFASQSA-N 318.395 -0.226 50 20 DBGD O=C(CCO)NNC(=O)Nc1cnn(Cc2ccccn2)c1 1320566627 HAEVEFWTCVCZEY-UHFFFAOYSA-N 304.310 -0.139 50 20 DBGD CNC(=O)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 1322227193 ZABVKJGYHBPUOZ-SNVBAGLBSA-N 304.306 -0.534 50 20 DBGD CN(C)N(C(=O)Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1332450763 QIEUZPASPOQRHZ-NSHDSACASA-N 300.384 -0.545 50 20 DBGD O=C(C[C@@H]1CCC(=O)N1)NNC(=O)c1n[nH]c2c1CCCC2 1333782737 DUKWJBIBDJZHBW-QMMMGPOBSA-N 305.338 -0.282 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)[C@H]1CCC(=O)N1 1335082870 FPQVGZCLBATIRR-PSASIEDQSA-N 312.370 -0.647 50 20 DBGD COc1ccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 1349008774 RJXBSBHYWATDDF-VIFPVBQESA-N 307.310 -0.801 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NNC(=O)Cc1cccnc1 1349061341 KDMVMNFPAFJJFT-MWLCHTKSSA-N 321.337 -0.589 50 20 DBGD CC(C)c1nccnc1NNC(=O)c1cnn(C[C@H](O)CO)c1 1350992609 OIJXAQPVCURDQA-NSHDSACASA-N 320.353 -0.093 50 20 DBGD COc1nn(C)cc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1353043788 MEUPXCHGACVCQI-SECBINFHSA-N 316.383 -0.465 50 20 DBGD CN1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)NC1=O 1591167306 VYVIAPLNOQAFEQ-VIFPVBQESA-N 302.298 -0.667 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 1591784387 KSDFVVWOTVHYLZ-SFYZADRCSA-N 319.325 -0.311 50 20 DBGD COCCN1[C@@H](C)CN(CC(=O)NNC(=O)C2CC2)C[C@H]1C 129540412 IAOYYNHREDZQOH-TXEJJXNPSA-N 312.414 -0.415 50 20 DBGD C[C@@H](N)[C@H]1CN(CC(=O)NNC(=O)c2cccs2)CCO1 156530156 YFXOTIICGHDRML-NXEZZACHSA-N 312.395 -0.443 50 20 DBGD O=C(NCCCN1C(=O)CNC1=O)NNC(=O)c1ccccc1 264464808 HKJYBDHTXKZHOC-UHFFFAOYSA-N 319.321 -0.428 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)COCC1CC1 268884665 VRYODMHQTYLVTO-UHFFFAOYSA-N 306.322 -0.615 50 20 DBGD COc1cc(OC)cc(C(=O)NCC(=O)NN(C)C(N)=O)c1 272840227 ILYUNACIYBOSOD-UHFFFAOYSA-N 310.310 -0.525 50 20 DBGD Cc1cnccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 273410999 HWMVKMVYZAXQOW-MRVPVSSYSA-N 315.355 -0.520 50 20 DBGD COCCOCCNC(=O)NNc1ccc(-n2ccnc2)nn1 286935284 PYGMEDNECFHVHN-UHFFFAOYSA-N 321.341 -0.049 50 20 DBGD O=C(O)CN1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 319613487 NQPKRZLNWIQJIE-UHFFFAOYSA-N 320.349 -0.850 50 20 DBGD COc1nccnc1NNC(=O)C1=NN(CC(C)C)C(=O)CC1 376879751 IRDFCPPXBLMLHG-UHFFFAOYSA-N 320.353 0.563 50 20 DBGD C[C@@H](NC(=O)c1cc(B(O)O)ccc1F)c1nnc2n1CCC2 584932998 ADTCHLIMARAWGS-MRVPVSSYSA-N 318.117 -0.466 50 20 DBGD O=C(CNC(=O)c1cc(B(O)O)ccc1F)NC1CCCCC1 584936620 LPSNTZFAUNSRHU-UHFFFAOYSA-N 322.145 -0.316 50 20 DBGD CC(C)OCC[C@@H](C#N)NC(=O)c1cc(B(O)O)ccc1F 584973637 IKOKDQXGPMGIJQ-NSHDSACASA-N 308.118 -0.057 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 584986420 ZCHZKTXZVJJCCJ-KFWWJZLASA-N 319.166 -0.632 50 20 DBGD O=C(N[C@@H]1C[C@H]2CCCCN2C1)c1ccc(B(O)O)c(F)c1 584998040 NWUCOIYDAJFNAI-VXGBXAGGSA-N 306.146 -0.138 50 20 DBGD O=C1CCCCN1CCCNCc1ccc(B(O)O)cc1F 585022046 HWDRGUDBMWNHAD-UHFFFAOYSA-N 308.162 -0.002 50 20 DBGD CN(C)[C@H](CNCc1ccc(B(O)O)cc1F)c1cnn(C)c1 585028297 IXRPKUVPSFZWJR-OAHLLOKOSA-N 320.177 -0.369 50 20 DBGD O=C(CNC(=O)Cc1cccc2ccccc12)NCB(O)O 585058703 NEWXJYLCLTWYPS-UHFFFAOYSA-N 300.123 -0.373 50 20 DBGD O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CC[C@@H](B(O)O)C1 585074214 KGOLIYRYSAUSPE-BXKDBHETSA-N 304.111 -0.149 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)C1=NNC(=O)C1 732263688 JSGZSRPVOQQJJP-UHFFFAOYSA-N 305.294 -0.870 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1C[C@@H]1C(=O)O 738136889 VBBWFRSFSWVUKH-IUCAKERBSA-N 308.290 -0.058 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCNC(=O)O)cc1 738513323 IZDMQXWVURMQOL-UHFFFAOYSA-N 323.305 -0.043 50 20 DBGD NC(=O)Cn1cc(C(=O)NNC(=O)c2cccc(Cl)c2)nn1 742472950 XHLYHUIHAXIIPE-UHFFFAOYSA-N 322.712 -0.508 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2c[nH]nc2C)n1 756647918 SYGWINAVNVZJBM-UHFFFAOYSA-N 321.297 -0.446 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(C)CC(C)(CO)CO)c1 759169275 VSXHGVZADUWQIP-UHFFFAOYSA-N 323.393 -0.321 50 20 DBGD CC[C@@H](CO)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 779778362 LPPDVKIBXYCZPO-VIFPVBQESA-N 318.374 -0.140 50 20 DBGD C[C@@H](C(=O)NNC(=O)C(C)(C)O)n1nnc(-c2ccccc2)n1 787955206 VQVPLZXZMUPTPR-VIFPVBQESA-N 318.337 -0.181 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cncc(C(=O)OC)c1 788479818 ITOXLGPSJKRYLA-UHFFFAOYSA-N 302.312 -0.619 50 20 DBGD CCNC(=O)N(C)NC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F 821783044 BWNIALVZFRAFBB-RQJHMYQMSA-N 310.276 -0.007 50 20 DBGD Cn1c(NNC(=O)CN2CCC(=O)NC2=O)nc2ccccc21 848380022 WOLJWMSMJVFPQX-UHFFFAOYSA-N 316.321 -0.042 50 20 DBGD O=C(NNC(=O)[C@@H]1COCCN1CC(F)F)c1cc[nH]n1 855357056 YZKZSDJCLGBFQS-QMMMGPOBSA-N 303.269 -0.863 50 20 DBGD COCC[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccco1 858355579 UOIBMLNATXOJLJ-NXEZZACHSA-N 324.337 -0.034 50 20 DBGD CCN1C[C@H](C)N(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)C[C@H]1C 858695042 DJOVGTFLPAMUPH-VWYCJHECSA-N 311.386 -0.580 50 20 DBGD CNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 860335450 PEHKENYWHZYXHS-JTQLQIEISA-N 319.321 -0.523 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@H](C2OCCO2)C1 863872267 PHJMLOMDQIAFQJ-LBPRGKRZSA-N 305.139 -0.409 50 20 DBGD COC(=O)N1CCC(CNCc2cccc(B(O)O)c2)CC1 863890301 RRZYEBPJRWYURE-UHFFFAOYSA-N 306.171 -0.066 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)C2(N(C)C)CC2)c1 863898820 RBCHYJRDAUGGSN-UHFFFAOYSA-N 305.338 -0.105 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CS(C)(=O)=O 919822097 QPTBHRQKLVHLRH-UHFFFAOYSA-N 300.336 -0.570 50 20 DBGD O=C(CO)NNC(=O)Nc1cc(N2CCOC2=O)ccc1F 1116564943 BRCWOXCAESAWSK-UHFFFAOYSA-N 312.257 -0.073 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)c2ccc(C)o2)ncn1 1116623600 ODNNUCOQLMYCOQ-UHFFFAOYSA-N 319.277 -0.214 50 20 DBGD Cc1nc2cc(NC(=O)C(=O)NNC(=O)CCO)ccc2n1C 1320357926 JXFRGDMPVNXRPB-UHFFFAOYSA-N 319.321 -0.650 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 1321470985 OPJAOHCVUFFRID-UHFFFAOYSA-N 306.388 -0.746 50 20 DBGD O=C(NN=Cc1cnc2cnccn12)[C@H]1CCS(=O)(=O)C1 1322234677 GAOXIFRBYSDNMC-VIFPVBQESA-N 307.335 -0.386 50 20 DBGD C[C@]1(NNC(=O)NCc2ccc(C#N)cn2)CCS(=O)(=O)C1 1323853225 IIWGEVAPOGYSSE-ZDUSSCGKSA-N 323.378 -0.166 50 20 DBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1 1324640828 CKBVOPNSMQFYRV-ZJUUUORDSA-N 308.342 -0.721 50 20 DBGD CC(C)N1CC[C@H](CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)C1 1329174108 TYTDRRREFIATAG-MNOVXSKESA-N 311.386 -0.674 50 20 DBGD CC(C)N1CC[C@@H](CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)C1 1329174110 TYTDRRREFIATAG-WDEREUQCSA-N 311.386 -0.674 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCCS(=O)(=O)C1 1329251344 AADYFUOOSYEJAQ-IVZWLZJFSA-N 319.383 -0.681 50 20 DBGD CCCOc1ncccc1CNC(=O)NNC(=O)C(=O)OC 1330487081 ABEJQLSCKNLIPO-UHFFFAOYSA-N 310.310 -0.126 50 20 DBGD CC(C)(C#N)CNC(=O)NNC(=O)C(=O)Nc1ccccn1 1337548422 LWPBKNZVCKKXAE-UHFFFAOYSA-N 304.310 -0.100 50 20 DBGD Cn1cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)cn1 1342602608 ZGYFRKCLWSWARX-UHFFFAOYSA-N 319.296 -0.112 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@](C)(C(=O)O)c1ccccc1 1349574105 SEPHNVSXUROMGX-AWEZNQCLSA-N 323.305 -0.468 50 20 DBGD O=C(O)CCCCC(=O)NNC(=O)C(=O)Nc1ccccn1 1595032693 KPTMLZQIOFBRDB-UHFFFAOYSA-N 308.294 -0.188 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2cncnc2)C1 1842483517 SYYCLQHXGNPPOH-NSHDSACASA-N 324.768 -0.107 50 20 DBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)[C@@H]2CCCO2)C1 1846146041 WJEKIOBSDUVPLM-MNOVXSKESA-N 316.785 -0.032 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16785564 FGZDCTRJSLXSNT-SECBINFHSA-N 312.347 -0.109 50 20 DBGD Cn1cccc1C(=O)NNC(=O)CNC(=O)c1cccnc1 122231605 QXWZUYOOBULFQR-UHFFFAOYSA-N 301.306 -0.389 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 126472229 HFFAMDAZHKZTME-UHFFFAOYSA-N 318.255 -0.249 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)c2ccc(C)o2)CC1=O 267749588 BWEAMXMGQRUTEE-SNVBAGLBSA-N 309.322 -0.156 50 20 DBGD COc1ccc(OCC(=O)NNC(=O)C(=O)NC2CC2)cc1C 268970669 OFUVQALCMGNWFK-UHFFFAOYSA-N 321.333 -0.192 50 20 DBGD COc1cccc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)n1 272439196 ABIMBUPGDWMLED-DTWKUNHWSA-N 309.326 -0.251 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)C1CN(C(C)=O)C1 276303419 KLHQPOJNFMXVPE-UHFFFAOYSA-N 321.333 -0.300 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)NC(C)C)c(=O)c1 279618652 RSURAFDVCHQGIU-AWEZNQCLSA-N 310.354 -0.353 50 20 DBGD CC(C)OCCN1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584956059 WSEFLLMUFNYAPA-UHFFFAOYSA-N 320.198 -0.451 50 20 DBGD CN(C)[C@@H](CNC(=O)c1cccc(B(O)O)c1)c1cccnc1 584960886 OMQZVTFSEPOTCZ-HNNXBMFYSA-N 313.166 -0.206 50 20 DBGD CC(C)C(=O)NCCCNC(=O)c1ccc(B(O)O)c(F)c1 584966556 DSFNGTWAAKIKFE-UHFFFAOYSA-N 310.134 -0.602 50 20 DBGD CC(C)N(CCOCCO)C(=O)c1ccc(B(O)O)c(F)c1 584987957 YZBZPGMISATCPP-UHFFFAOYSA-N 313.134 -0.635 50 20 DBGD O=C(NCc1cc2n(n1)CCCO2)c1ccc(B(O)O)cc1 584992097 HPMLXPBGZAICEQ-UHFFFAOYSA-N 301.111 -0.725 50 20 DBGD Cc1ccc(C(=O)NCCNCc2ccc(B(O)O)o2)cc1 585021869 PDQMJMLOITUPTN-UHFFFAOYSA-N 302.139 -0.213 50 20 DBGD CC(C)N1C[C@H](CNCc2ccc(B(O)O)cc2F)CC1=O 585043824 SPROHFQPWGBUGW-NSHDSACASA-N 308.162 -0.148 50 20 DBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 751205062 WLBSZCSVSRNAAN-UHFFFAOYSA-N 318.289 -0.126 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 764422503 SSRFAXKODKEYNK-UHFFFAOYSA-N 323.202 -0.077 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)NCC1CC1 783574915 FCGVXDBIBCYBPB-UHFFFAOYSA-N 308.338 -0.007 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNc1ncncc1Cl 784127391 FKJDULROWJKIPW-UHFFFAOYSA-N 308.751 -0.695 50 20 DBGD O=C(NNC(=O)C(F)(F)C1(O)CCCC1)N1CCOCC1 786017676 AMEGSNHYQXCHEE-UHFFFAOYSA-N 307.297 0.000 50 20 DBGD Cc1ncc(CO)c(C=NNC(=O)N2CCN(C)CC2)c1O 790180511 AVHCOSYKPFPADX-UHFFFAOYSA-N 307.354 -0.121 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCCc2nn(C)cc21 794507365 BEEGXQUWHGIUJO-MRVPVSSYSA-N 313.383 -0.486 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)Cc1ccc(F)cc1 807553485 QVYMIVUAAOMKQJ-UHFFFAOYSA-N 307.285 -0.662 50 20 DBGD COCCCNC(=O)NNC(=O)C1(COC)CCOCC1 813424581 QBFHYCKIGRQEER-UHFFFAOYSA-N 303.359 -0.204 50 20 DBGD CCc1nc(C)c(CNC(=O)NNC(=O)C(=O)N2CCCC2)o1 813876580 WOEWVUZZHXIHRS-UHFFFAOYSA-N 323.353 -0.002 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](CO)C1CCOCC1 827274692 QDWPJWOVLPDCQX-WCQGTBRESA-N 315.370 -0.471 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 827299944 OTWNUECIQDTJEJ-UHTWSYAYSA-N 321.381 -0.176 50 20 DBGD CCNC(=O)CN(CC)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827315054 NFDBMCIVGNSDRA-ZJUUUORDSA-N 300.359 -0.390 50 20 DBGD CNCCCNC(=O)NNC(=O)COc1ccc(C#N)cc1 841915253 OVSCWUYSNGAASJ-UHFFFAOYSA-N 305.338 -0.123 50 20 DBGD NC(=O)[C@@H]1CC[C@@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 847281248 XRSNIJOJXGFVLM-ZJUUUORDSA-N 306.278 -0.133 50 20 DBGD O=C(CO)NNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1 848373079 NAWBUZUIPMFMEQ-UHFFFAOYSA-N 313.260 -0.177 50 20 DBGD CC(C)(O)C(C)(C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858524395 MHUNRPVQPQABHS-MRVPVSSYSA-N 300.359 -0.608 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NC[C@@H]1COCCN1 861682321 QPULWPOCQIVJCI-GFCCVEGCSA-N 322.365 -0.444 50 20 DBGD O=C1CC(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)(c2ccccc2)C1 862461336 JQZOKLSJJOEEEQ-LBPRGKRZSA-N 315.329 -0.287 50 20 DBGD CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cccc(-n2cnnn2)c1 863146734 UXCAELVZXSUTEG-GFCCVEGCSA-N 313.321 -0.219 50 20 DBGD COC(=O)C[C@H]1CSCCN1C(=O)c1ccc(B(O)O)cc1 863873185 ACENMEKDZYCTTN-LBPRGKRZSA-N 323.179 -0.513 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cnc(O)n1C 864591101 VQDNNGFOIVNWSV-UHFFFAOYSA-N 301.372 -0.387 50 20 DBGD O=C(CN1CCC(N2CCNC2=O)CC1)NNC(=O)C1CC1 1116322400 RAKOYOBMAGPCIX-UHFFFAOYSA-N 309.370 -0.967 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCc2ccccc2[C@H]1C(N)=O 1117756520 DRGRZHIVDSCOLB-AWEZNQCLSA-N 318.377 -0.126 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(C(F)(F)F)nn1C 1118834785 CSTOLPQCIGYSHR-UHFFFAOYSA-N 321.259 -0.276 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCCNC(=O)c2ccco2)cn1 1318561875 FUYSJYIXUFELRA-UHFFFAOYSA-N 320.309 -0.613 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2cnnc2[S@](C)=O)c1 1319112078 FQTYFCOHLGYBIJ-QFIPXVFZSA-N 321.362 -0.215 50 20 DBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)CC(F)(F)F)C1 1321744714 VOJHLSGAYIKCNV-MRVPVSSYSA-N 311.308 -0.485 50 20 DBGD CN(C)N(C(=O)CC1OCCCO1)[C@H]1CCS(=O)(=O)C1 1323331366 LCJXNWZRPDTEHW-JTQLQIEISA-N 306.384 -0.368 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 1325506499 QLYQMCWNLRCTRY-UHFFFAOYSA-N 304.306 -0.299 50 20 DBGD C[S@@](=O)CCCNC(=O)NNC(=O)c1cccc(F)n1 1343078730 CMKXUQDHHZOCGW-HXUWFJFHSA-N 302.331 -0.067 50 20 DBGD C=CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)n1C 1588663327 INGVFUQVBBBVEM-UHFFFAOYSA-N 306.355 -0.500 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1csc(-c2nn[nH]n2)c1 1593155868 CBSXYTBUNLZNQZ-UHFFFAOYSA-N 323.338 -0.385 50 20 DBGD CO[C@@H](C(=O)O)C(=O)NNC(=O)Nc1ccc2c(c1)OCO2 1593908926 ORIYPNAEYZFNAM-SECBINFHSA-N 311.250 -0.332 50 20 DBGD COCc1cccc(S(=O)(=O)NNC(=O)NCC(=O)O)c1 1599297009 DZYJCEKKBNJPPI-UHFFFAOYSA-N 317.323 -0.590 50 20 DBGD O=C(NC1CCC(C(=O)O)CC1)c1cc(B(O)O)ccc1F 1601435963 PLEWZZSTEJSVKB-UHFFFAOYSA-N 309.102 -0.121 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](B(O)O)C1 1606591368 NGXXTPVIBVWVSP-NSHDSACASA-N 301.115 -0.516 50 20 DBGD O=C(O)c1ccc(NNC(=O)c2ccc(B(O)O)cc2)nc1 1608904660 CNHFXAWVGKAIQU-UHFFFAOYSA-N 301.067 -0.784 50 20 DBGD CCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1C 49183324 IDBVSEUXCZVCHU-UHFFFAOYSA-N 300.340 -0.394 50 20 DBGD Cn1nc(C(=O)NNC(=O)c2ccc(Cl)nc2)ccc1=O 77248995 YGGPGRWZQTUQHQ-UHFFFAOYSA-N 307.697 -0.097 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CN(C)CCO2)cc1 81934284 PSZNWYCTEAKAAF-ZDUSSCGKSA-N 306.366 -0.115 50 20 DBGD C[C@@]1(NNC(=O)NCCn2cccc2)CCS(=O)(=O)C1 84457272 HRGSEKFDRXSPPS-GFCCVEGCSA-N 300.384 -0.131 50 20 DBGD COCCn1cc(C(=O)NNC(=O)NCC2CC2)ccc1=O 139301384 NJNVGMSWEVNXQB-UHFFFAOYSA-N 308.338 -0.151 50 20 DBGD Cc1ccc(NNC(=O)NCCCN2C(=O)CCC2=O)nn1 264321322 AYEINNFNGSDRQG-UHFFFAOYSA-N 306.326 -0.050 50 20 DBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNc1ncccn1 269940956 DLYIYBURTJIEQV-SECBINFHSA-N 314.371 -0.473 50 20 DBGD COC(=O)N1CC(NC(=O)NNc2nc3ccccn3n2)C1 276991774 XNPMFLVHIAMTKI-UHFFFAOYSA-N 305.298 -0.194 50 20 DBGD CN(C)[C@H](CNC(=O)c1cccc(B(O)O)c1)c1cnn(C)c1 584947747 AECATQCRESESSK-CQSZACIVSA-N 316.170 -0.867 50 20 DBGD COCC[C@H]1COCCN1C(=O)c1cc(B(O)O)ccc1F 584992937 TYMCNURIGLBGKH-NSHDSACASA-N 311.118 -0.617 50 20 DBGD CC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 734807051 RKQCCZAFMROPIU-UHFFFAOYSA-N 311.363 -0.062 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2cccc(C#N)c2)C1=O 748034548 UPSIRWDEZANPTO-UHFFFAOYSA-N 301.262 -0.578 50 20 DBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)c1cccn1C)CC2 750724415 JIYCEGRKLCDADS-JTQLQIEISA-N 302.338 -0.051 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ncc(F)cn2)CC1 759917529 HMBBHPZWDRXCNE-JTQLQIEISA-N 324.360 -0.316 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 765366749 PMRLLHJLQGTEBM-UHFFFAOYSA-N 304.266 -0.407 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NCc1ncn(C)n1 768754918 KFULPISPZTZUMW-UHFFFAOYSA-N 318.337 -0.103 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C#N)cc1 779843668 BTLXUCGALJQVLB-UHFFFAOYSA-N 312.307 -0.776 50 20 DBGD CSC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 782062408 RBPFRUOUWRBABM-MRVPVSSYSA-N 306.409 -0.146 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1C 784995001 FXLYAQYFMQPQHE-JTQLQIEISA-N 321.333 -0.158 50 20 DBGD O=C(Cn1ccccc1=O)NNc1ccc(-n2ccnc2)nn1 788175158 QMZLHGHJZOSMKX-UHFFFAOYSA-N 311.305 -0.033 50 20 DBGD NC(=O)c1cccc(C(=O)NNC(=O)N=c2cc[nH]cc2)n1 802032461 RRVQLAUTQJHGJV-UHFFFAOYSA-N 300.278 -0.536 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)c2ccc[nH]2)C1 802422367 UNBRYSQXRXEHJS-UHFFFAOYSA-N 315.355 -0.961 50 20 DBGD O=C(Cn1nc2ccccn2c1=O)NNc1ncncc1F 817081085 PWTUMYHKJIHBCI-UHFFFAOYSA-N 303.257 -0.432 50 20 DBGD CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)CCl 830845232 KAWLFBYJFAWIBY-YUMQZZPRSA-N 304.821 -0.180 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@@]12CCC(=O)N1CCS2 843972419 GWMMNUPCRARBOH-RVBZMBCESA-N 313.379 -0.376 50 20 DBGD NC(=O)[C@H]1CC[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 847281247 XRSNIJOJXGFVLM-VHSXEESVSA-N 306.278 -0.133 50 20 DBGD Cn1c(NNC(=O)[C@H]2CC[C@@H]2C(N)=O)nc2ccccc2c1=O 847493382 SEVMVEWSMIGYDO-IUCAKERBSA-N 315.333 -0.112 50 20 DBGD CN(C)c1nc(N)nc(C(=O)NNC(=O)NC2CCCCC2)n1 854192983 ZHXRXFZSZDOFMJ-UHFFFAOYSA-N 322.373 -0.204 50 20 DBGD CNC(=S)N(C)NC(=O)CNS(=O)(=O)c1cccs1 854925655 JHTINLXEIUVVOP-UHFFFAOYSA-N 322.437 -0.506 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)c2cccc(Cl)n2)c1=O 857324764 MPQSWGUQINXDRY-UHFFFAOYSA-N 324.728 -0.519 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 858296636 RPWUWPXEDGAATL-IEBDPFPHSA-N 309.370 -0.922 50 20 DBGD COC(=O)[C@H](C)CN(C(=O)c1ccc(B(O)O)cc1)C1CC1 863871937 HFLJEIUWVWGZPO-SNVBAGLBSA-N 305.139 -0.220 50 20 DBGD O=C(NNCC(F)(F)C(F)(F)F)c1ccc(B(O)O)cc1 863887526 LYBCCMBKLDKQEX-UHFFFAOYSA-N 312.003 -0.202 50 20 DBGD CC(C)c1ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 1254746000 JEMSUKUGGAFQHR-ZETCQYMHSA-N 317.371 -0.768 50 20 DBGD O=C(NNC(=O)c1cc2nn[nH]c2cc1F)C(=O)NC1CC1 1320087185 AQPFQDFOXXCBOJ-UHFFFAOYSA-N 306.257 -0.863 50 20 DBGD CS(=O)(=O)c1cccc(NC(=O)NNC(=O)CCO)c1 1320347572 RCPDRCPDHOEVBE-UHFFFAOYSA-N 301.324 -0.375 50 20 DBGD CCn1cc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cn1 1321883813 KCTKKOFGUPKUHQ-GFCCVEGCSA-N 314.411 -0.062 50 20 DBGD CC(C)OCCCCNC(=O)NNC(=O)C(=O)NC1CC1 1323688886 SXHSHHRLOICAHR-UHFFFAOYSA-N 300.359 -0.199 50 20 DBGD COC(C)(C)CNC(=O)NNC(=O)C(=O)Nc1ccccn1 1323814739 YRVRBFAFTADYKM-UHFFFAOYSA-N 309.326 -0.225 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(C(N)=O)cc1 1326317838 GPWXNOXSRSOGAQ-UHFFFAOYSA-N 306.322 -1.000 50 20 DBGD Cc1noc(C)c1C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329735709 OMKQULBFXWLFKK-HQJQHLMTSA-N 323.353 -0.169 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)nc1Cl 1336381134 AUWDBSJOYVHXNQ-UHFFFAOYSA-N 314.685 -0.698 50 20 DBGD CC(C)NC(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 1338308081 RKZBACJXKBPYNU-UHFFFAOYSA-N 314.367 -0.173 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCNC3)N1 1580843598 JSXVMMKAXOLVQQ-QMMMGPOBSA-N 308.363 -0.567 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCN(CCC(=O)O)C[C@H]1C 1590939532 YQPPIDHNARGKJV-LLVKDONJSA-N 314.386 -0.729 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C1(C(=O)O)CCC1 1594697703 PNFGDHQGPILMTI-UHFFFAOYSA-N 309.278 -0.588 50 20 DBGD O=C(O)c1cccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)c1F 1602448883 WNOXDZQTXLLWKE-MRVPVSSYSA-N 317.298 -0.341 50 20 DBGD C[C@H](CNC(=O)NNC(=O)C(=O)O)N1CCc2ccccc21 1604178698 MLJQSWBQIHPKAM-SECBINFHSA-N 306.322 -0.147 50 20 DBGD Cc1oc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccnnc1 1606169057 LIEWQLFWICVPST-UHFFFAOYSA-N 314.265 -0.367 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2n[nH]c3ccccc3c2=O)cn1 117987620 PDDYCMQDKQNMID-UHFFFAOYSA-N 312.289 -0.269 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc2c([nH]c1=O)CCCCC2 131038199 DFWPHSPSEDCYKS-UHFFFAOYSA-N 306.366 -0.034 50 20 DBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N(C)C)cs1 266511126 YEYXRCCRTNBHRB-UHFFFAOYSA-N 307.353 -0.001 50 20 DBGD COc1ncnc(OC)c1C(=O)NNC(=O)c1cc(C)n[nH]1 270654548 MQJKWDXCADUQNG-UHFFFAOYSA-N 306.282 -0.400 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCSC1)[C@@H]1COc2ccccc2O1 270804775 OMVGSDGIDCOFNA-SMDDNHRTSA-N 324.358 -0.158 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)[C@@H]3CC[C@H](C)O3)nn12 294109069 DYDRVJNRERXLPS-IUCAKERBSA-N 304.310 -0.239 50 20 DBGD O=C(NNC(=O)c1cccc2c1OCCO2)C(=O)N1CCCC1 299457021 BLORLMRHROLAJN-UHFFFAOYSA-N 319.317 -0.159 50 20 DBGD NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 361764524 VJEVOLONEDHGGN-UHFFFAOYSA-N 308.363 -0.163 50 20 DBGD CCN1CCO[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)C1 366528393 XPESCLKBQRWHQL-NWDGAFQWSA-N 319.427 -0.801 50 20 DBGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)CO)CC2=O)cc1 370344745 ZRSVYAVKXWZAEX-NSHDSACASA-N 321.333 -0.817 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)NCC(=O)NCCO)cc(C#N)n1C 490753901 MITAXKKHFIQKRE-XGICHPGQSA-N 315.333 -0.663 50 20 DBGD CCO[C@@H]1C[C@@](CO)(NC(=O)c2ccc(B(O)O)cc2)C1(C)C 584979288 PMMDLXPUFGXZLY-CJNGLKHVSA-N 321.182 -0.338 50 20 DBGD O=C(N[C@@H]1C[C@H]2CCCCN2C1)c1cc(B(O)O)ccc1F 584997999 NJYOIZOKXFPPRO-VXGBXAGGSA-N 306.146 -0.138 50 20 DBGD CCC(CC)(CNCc1ccc(B(O)O)o1)N1CCOCC1 585026009 BFGAPBLLHGKJST-UHFFFAOYSA-N 310.203 -0.060 50 20 DBGD Cn1cncc1[C@H]1C[C@@H](NCc2ccc(B(O)O)o2)CCO1 585037498 ZUFDEWWAZWOKNK-GXFFZTMASA-N 305.143 -0.297 50 20 DBGD CC[C@@H](C(=O)NNc1ccc(C(N)=O)nn1)N1CCCC1=O 757407555 KLRLPDISFOHYCW-VIFPVBQESA-N 306.326 -0.580 50 20 DBGD COC(=O)c1coc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758110993 ZIIDAJRKPQEUMR-SSDOTTSWSA-N 317.323 -0.546 50 20 DBGD CN(CC(=O)NNC(=O)c1ccc(F)cc1)[C@H]1CCNC1=O 759434479 AXDMASNEIKMVEN-NSHDSACASA-N 308.313 -0.593 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccsc1C(=O)OC 764300058 SAULYGPTOWPYCT-UHFFFAOYSA-N 315.307 -0.733 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)nc1 764316785 FRODTVAORFXABD-UHFFFAOYSA-N 300.702 -0.143 50 20 DBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc2c1OCCO2 764325809 SKAVBQRUWCFZNB-UHFFFAOYSA-N 323.305 -0.420 50 20 DBGD Cn1cnc(CNC(=O)NNC(=O)COc2ccc(F)cc2)n1 768992306 PFEOUVIGAUXIKL-UHFFFAOYSA-N 322.300 -0.136 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN[C@H](CO)C2CC2)n1 771810390 YNKCTLCHPIASEZ-SNVBAGLBSA-N 312.395 -0.498 50 20 DBGD COC[C@](C)(O)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 772158511 FPPBJMLADFMHKC-ZANVPECISA-N 304.343 -0.491 50 20 DBGD CCNC(=O)CC(=O)NNc1nc2ccccc2c(=O)n1C 780938135 KVXPGDKTBHRNPU-UHFFFAOYSA-N 303.322 -0.097 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC[C@H](N(C)C)C1 788427535 NXTXZITXDIROLZ-ONGXEEELSA-N 304.416 -0.100 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)n1 794085165 LIHOKHSGPNEVGL-UHFFFAOYSA-N 305.294 -0.907 50 20 DBGD CNC(=O)COc1ccc(NC(=O)NNC(=O)CO)c(C)c1 797681120 VOTFGERPITUTNP-UHFFFAOYSA-N 310.310 -0.735 50 20 DBGD CN1CC[C@H](C(=O)NNc2ccc(-n3ccnc3)nn2)CC1=O 804953320 LSKKMWGSDPACNC-JTQLQIEISA-N 315.337 -0.026 50 20 DBGD COC(=O)COCC(=O)NNc1ccc(-n2ccnc2)nn1 807409936 QYNSZEZYKGTPPD-UHFFFAOYSA-N 306.282 -0.705 50 20 DBGD O=C(CN1CCC[C@H](c2nc(O)n[nH]2)C1)NNC(=O)C1CC1 808777757 VNNHUZSHSWILML-VIFPVBQESA-N 308.342 -0.753 50 20 DBGD CC1CCC(NS(=O)(=O)CC(=O)NN(C)[C@@H](C)CO)CC1 823964563 BSOAAVOBPDBQCK-CXQJBGSLSA-N 321.443 -0.172 50 20 DBGD CS(=O)(=O)CCC(=O)NNc1cccc(-c2nn[nH]n2)c1 826222615 DWRYYDDFUVSORY-UHFFFAOYSA-N 310.339 -0.256 50 20 DBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H]1CCCCO1 833778421 DBPXSPISHMAKSE-ZJUUUORDSA-N 300.359 -0.070 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C 843970133 BLHVWZSUHNKCOP-YIZRAAEISA-N 300.359 -0.358 50 20 DBGD O=C(NNc1ncccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)N1 846639571 RJLSOYSTKNIQDE-LURJTMIESA-N 301.284 -0.875 50 20 DBGD Cc1nc(S)sc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862452523 XXUBRDHOIQQDBS-ZCFIWIBFSA-N 314.392 -0.291 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)C2=NO[C@H](c3ccccc3)C2)N1 862452899 PAFHVDKRNBINRV-PWSUYJOCSA-N 316.317 -0.070 50 20 DBGD CC(C)Oc1ncccc1C(=O)NNC(=O)CS(C)(=O)=O 863465509 AFELFRIKQZUIBU-UHFFFAOYSA-N 315.351 -0.326 50 20 DBGD COC(=O)C1(NC(=O)c2cccc(B(O)O)c2)CCSCC1 863880058 MHSNDHYCBYWNAO-UHFFFAOYSA-N 323.179 -0.465 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cncc(N2CCCC2)n1 865047047 SUFVJEZKVXEEGV-UHFFFAOYSA-N 320.353 -0.237 50 20 DBGD COCCOCC(=O)NNC(=O)[C@H](C)N(C)CC(F)(F)F 869906539 NNSQOEIGUZGJKC-QMMMGPOBSA-N 315.292 -0.321 50 20 DBGD COc1ccc(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1OC 913162466 NWWOAKYRNWQRMU-SNVBAGLBSA-N 321.333 -0.328 50 20 DBGD CCN1CCC[C@H](NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)C1=O 925984764 WMVQQXDOLDBOTN-AXFHLTTASA-N 312.370 -0.247 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 1255507804 HKOYVNYRENOZRL-UHFFFAOYSA-N 313.697 -0.093 50 20 DBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)N(C)C 1318075447 CAKZVDGKHQARDR-UHFFFAOYSA-N 304.328 -0.540 50 20 DBGD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNC(=O)CC1CC1 1320233252 XJTXVCAJUVIVRY-UHFFFAOYSA-N 318.333 -0.020 50 20 DBGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1 1323942035 XONGGGWOAZNQHP-UHFFFAOYSA-N 306.322 -0.068 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)c1ccc(Cl)nc1 1346283619 KGXDIWMJWMZWNV-ONGXEEELSA-N 323.784 -0.116 50 20 DBGD Cc1nc2ccnn2cc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 1348385831 AIDNNOUNORPCFZ-SECBINFHSA-N 302.294 -0.923 50 20 DBGD O=C1OCc2ccc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)cc21 1348489758 BNSVKVKPRVBTRR-SECBINFHSA-N 311.124 -0.406 50 20 DBGD C[C@H]1CN2CCN1C[C@H]2C(=O)NNC(=O)Cc1cccnc1 1351153986 VMEWOLNKICDQNI-AAEUAGOBSA-N 303.366 -0.840 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2CCC(N)CC2)cc1 1579193673 BUSKLKOTLPBRGX-UHFFFAOYSA-N 306.366 -0.121 50 20 DBGD Cc1cc(CC(=O)NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n[nH]1 1605654302 LTBZYXXVHFEWCS-UHFFFAOYSA-N 315.297 -0.770 50 20 DBGD CN(C)N(C(=O)[C@@H]1COCCO1)c1nc(CC(=O)O)cs1 1606036915 HKHOJOFJHOLHSM-VIFPVBQESA-N 315.351 -0.005 50 20 DBGD CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1842763398 UMMDXXLDRWGTKO-UHFFFAOYSA-N 302.139 -0.797 50 20 DBGD COc1ccc(C(=O)NCC(=O)NNC(=O)C2CC2)cc1OC 26969205 KORVBEODDMQGGR-UHFFFAOYSA-N 321.333 -0.009 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 145074382 QXFRKCIFQXXCQK-UHFFFAOYSA-N 314.323 -0.356 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(C#N)c1 264120063 KRKDWBKASKVWPG-MRVPVSSYSA-N 310.335 -0.743 50 20 DBGD Cn1cc(C(=O)NNC(=O)CNC(=O)OCC(F)(F)F)cn1 265573991 OGSZCOAMGLADBS-UHFFFAOYSA-N 323.231 -0.530 50 20 DBGD COCCCN(C)CCNC(=O)NNC(=O)Cc1ccncc1 266989272 SWRNNBLWVXCRQK-UHFFFAOYSA-N 323.397 -0.077 50 20 DBGD COCCCS(=O)(=O)NCC(=O)NNc1cccc(F)n1 286385549 GFZRZNBYLIZLMS-UHFFFAOYSA-N 320.346 -0.380 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cccc(CC(=O)OC)c1 290695898 RPTSTOZSGVUDFN-UHFFFAOYSA-N 301.324 -0.476 50 20 DBGD CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)NC)nc1 495553512 ITWLVQPLOBXYLD-UHFFFAOYSA-N 302.312 -0.619 50 20 DBGD C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc(B(O)O)c(F)c1 584984734 BJDKBISQUIAOGU-VRNWYBPDSA-N 313.159 -0.513 50 20 DBGD CC(C)n1cnnc1CN(C)C(=O)c1ccc(B(O)O)cc1 584992614 OEJRCUUZFTYBPX-UHFFFAOYSA-N 302.143 -0.189 50 20 DBGD O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(B(O)O)cc1 584999771 YICHGZRRWSRNFI-OLZOCXBDSA-N 302.139 -0.750 50 20 DBGD Cn1cc(C(=O)NNC(=O)CCNC(=O)c2ccco2)cn1 735446005 OPDUQHMBFZPXKJ-UHFFFAOYSA-N 305.294 -0.406 50 20 DBGD CN(CC(=O)NNc1cccnn1)S(=O)(=O)c1cccnc1 736697414 IXGXVXFCYFUPEM-UHFFFAOYSA-N 322.350 -0.365 50 20 DBGD NC(=O)CCNC(=O)c1cccc(NC(=O)NNC(=O)O)c1 739156561 FMLZTXICBSPZTC-UHFFFAOYSA-N 309.282 -0.404 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCO[C@@H](C#N)C2)cc1 744398400 QMCZYSHZFQIUMF-ZDUSSCGKSA-N 313.317 -0.456 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)Cc1nc[nH]n1 746477896 HRNHGOZOPKVICA-UHFFFAOYSA-N 313.321 -0.431 50 20 DBGD COC(=O)CCc1csc(NC(=O)NNC(=O)CO)n1 757733996 FTCRSGDXTWNAID-UHFFFAOYSA-N 302.312 -0.606 50 20 DBGD C#CCOc1cccc(NC(=O)C(=O)NNC(=O)COCC)c1 764317483 IZVRYAGIWDCMDS-UHFFFAOYSA-N 319.317 -0.179 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)NC)nc1 772090333 VLQFLNSNFPMAMK-QMMMGPOBSA-N 322.321 -0.456 50 20 DBGD O=C(CN1CC[C@H](CO)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 772779280 WTNPVTRELSLYAA-JTQLQIEISA-N 322.321 -0.330 50 20 DBGD C[C@@H]1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CCO1 776347000 PAQXHMNEGOLTSB-MNOVXSKESA-N 320.349 -0.226 50 20 DBGD C=C(CBr)COC(=O)c1cn(CC(N)=O)nn1 795528839 DSVKXUWLOGSXSL-UHFFFAOYSA-N 303.116 -0.129 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)C1(C(=O)NC2CC2)CC1 802024198 LIAMZRNIIMMIBW-UHFFFAOYSA-N 303.322 -0.285 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 807382947 VUTGBRWWYMGDQF-QWRGUYRKSA-N 311.386 -0.734 50 20 DBGD Cn1nncc1NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 809909261 VJCNISIKXORUIF-SNVBAGLBSA-N 318.293 -0.192 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCS(=O)(=O)C[C@H]1C 827272722 BUUKTKKNXQLMCB-UTLUCORTSA-N 319.383 -0.729 50 20 DBGD CCOC(=O)[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 834852869 MQXVJTJQUGQFNM-VIFPVBQESA-N 309.102 -0.469 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2CCO[C@H]([C@@H](C)N)C2)cc1 843356530 WQAWYCQAMZTTAF-OCCSQVGLSA-N 320.393 -0.196 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843641360 BUZOTJKSMZXLHC-AEJSXWLSSA-N 321.399 -0.867 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 845342960 ZMQBGRYZEMXXHV-SNVBAGLBSA-N 308.319 -0.989 50 20 DBGD CCN1C[C@H](CNC(=O)NNC(=O)Cc2ccncc2)CC1=O 845492086 DYRGJOVZXMVYEO-LBPRGKRZSA-N 319.365 -0.177 50 20 DBGD CC(C)NC(=O)NNC(=O)CCN1C(=O)CCNC1=S 847402131 YFOXGKNXCHOBOX-UHFFFAOYSA-N 301.372 -0.778 50 20 DBGD CCCn1nccc1C=NNC(=O)[C@H](C)NS(C)(=O)=O 853302754 GUXLNYIYAORHDG-VIFPVBQESA-N 301.372 -0.319 50 20 DBGD CC(C)N(CCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858693736 WRNUUCGTWHFDIK-NSHDSACASA-N 313.402 -0.286 50 20 DBGD CN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(B(O)O)c1 863885028 FTLGEBBMDGVWIY-UHFFFAOYSA-N 322.170 -0.037 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CN2CCOC2=O)cc1 873797201 PKQSXWLZUVUCAQ-UHFFFAOYSA-N 307.306 -0.027 50 20 DBGD C[C@]1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C[C@H]1Br 906904128 CXBVMOVIVONRCU-AMXGMDGSSA-N 316.155 -0.078 50 20 DBGD C[C@@H](O)CN(C)NC(=O)CCCS(=O)(=O)N1CCCC1 910171637 ZAKQOXOQOLQSPD-LLVKDONJSA-N 307.416 -0.464 50 20 DBGD C[C@H](NC(=S)NNC(=O)C1CN(S(C)(=O)=O)C1)C1CC1 912162522 XEXYHQZEEKCXQT-ZETCQYMHSA-N 320.440 -0.828 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)COc1ccc(C#N)cc1 915261697 FDFITGDJGJDWML-JTQLQIEISA-N 318.333 -0.001 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CCCN2C(=O)C2CC2)c1=O 1118217962 FPAFDYOJIJKYRT-JTQLQIEISA-N 305.338 -0.376 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=S)NC(C)C)co1 1253641818 WGPJABOTAJTOQV-UHFFFAOYSA-N 320.396 -0.295 50 20 DBGD CC(C)c1ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 1254745999 JEMSUKUGGAFQHR-SSDOTTSWSA-N 317.371 -0.768 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 1324170767 ZFXGALKPBJIRDK-UHFFFAOYSA-N 320.305 -0.996 50 20 DBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 1324219188 IATVDOXMJYSUIA-ZJUUUORDSA-N 316.383 -0.483 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C(=O)c1cccn1C 1324317174 YNMGEEDXEZKIJP-UHFFFAOYSA-N 308.338 -0.340 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NNC(=O)Cc1ccncc1 1326026620 HXKLPVZNEQQCEK-ONGXEEELSA-N 321.337 -0.589 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c(O)n1 1329547769 NDYQPMTUVYRENU-PSASIEDQSA-N 308.338 -0.086 50 20 DBGD Cc1cc2cc(NC(=O)C(=O)NNC(=O)CCO)ccc2[nH]1 1342606088 DRDXNFPTBODVIW-UHFFFAOYSA-N 304.306 -0.055 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2ncncc2C1)C1CCNCC1 1580736186 NOJXNCLLOPOQKD-LLVKDONJSA-N 303.366 -0.272 50 20 DBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2nn[nH]n2)cc1 1588772333 MRVQRHXASXQWDU-NSHDSACASA-N 313.321 -0.015 50 20 DBGD CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)Cc2nc[nH]n2)o1 1589775103 YIPCTLYAOLEISZ-UHFFFAOYSA-N 318.301 -0.218 50 20 DBGD C[C@@H](CN1CCOCC1)C(=O)NN=Cc1cccn1CC(=O)O 1592622815 BLRXAPZGTKOTOI-LBPRGKRZSA-N 322.365 -0.009 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2cccc(CC(=O)O)c2)nn1 1601167359 UGWPTFBDMKZULK-UHFFFAOYSA-N 315.289 -0.041 50 20 DBGD O=C(NC[C@H](F)C(=O)O)NNc1ccc(-n2cccn2)nn1 1601521378 QDUCETCBWXDELX-ZETCQYMHSA-N 309.261 -0.289 50 20 DBGD C[C@](CO)(NCC(=O)NNC(=O)c1ccc(F)cc1)C(=O)O 1604197316 XHAJCZKJARLMBV-CYBMUJFWSA-N 313.285 -0.988 50 20 DBGD COCC(=O)NCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 1605039504 IQJGDLXEFYAXRE-UHFFFAOYSA-N 319.325 -0.538 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNC(=O)C(C)C)n1 43312903 HWRMXSDERZPEKR-UHFFFAOYSA-N 324.385 -0.397 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)NC)cc1 271468410 YJYFPPUMAYBLPG-UHFFFAOYSA-N 314.367 -0.099 50 20 DBGD CC[C@@](C)(C#N)C(=O)NNC(=O)CNC(=O)c1cccnc1 288451052 PPKZOKIPCAMCSP-AWEZNQCLSA-N 303.322 -0.101 50 20 DBGD O=S(=O)(CBr)NCCN1CCCS1(=O)=O 405920605 CEZGKKQSODHORA-UHFFFAOYSA-N 321.218 -0.706 50 20 DBGD C#CCNC(=O)CN1CCN(C(=O)/C(C#N)=C/OCC)CC1 491172912 AEPRBHBSIAUUJC-OUKQBFOZSA-N 304.350 -0.676 50 20 DBGD O=C(NCCOC[C@H]1CCCO1)c1cc(B(O)O)ccc1F 584947103 GLCXZHFKFQSAKD-LLVKDONJSA-N 311.118 -0.569 50 20 DBGD O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1cccc(B(O)O)c1 584987833 VKDKMZXQBJSWMN-QWHCGFSZSA-N 302.139 -0.750 50 20 DBGD O=C1C[C@@H](NCc2ccc(B(O)O)o2)CN1c1ccccc1 585037684 GZYWFLASTDDDHU-LLVKDONJSA-N 300.123 -0.146 50 20 DBGD CC(=O)N1CCOC[C@H]1c1nc(-c2ccc(B(O)O)cc2)no1 585052216 UXDUATJMNXFAOL-LBPRGKRZSA-N 317.110 -0.664 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 729258306 MQJUDGOESGMZEK-LBPRGKRZSA-N 321.333 -0.110 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 733359634 UUGHNZSSGPNFFC-JTQLQIEISA-N 322.340 -0.112 50 20 DBGD COC[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 736972344 XMNMZEKVDFJRDO-MRVPVSSYSA-N 319.325 -0.154 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)N(C)C 746001277 FZCMZICHCVSUEW-SNVBAGLBSA-N 320.415 -0.117 50 20 DBGD CN1CCC[C@H](NC(=O)NNC(=O)Cc2ccncc2)C1=O 748662651 AZXMSTUGDFHLKX-NSHDSACASA-N 305.338 -0.425 50 20 DBGD CC(C)C[C@H](CCO)CNC(=O)NNC(=O)C(=O)NC1CC1 754372593 AHLAYJFMYKSNBY-JTQLQIEISA-N 314.386 -0.360 50 20 DBGD CCOCC(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1F 756336081 QATMGFPBYJYXDB-UHFFFAOYSA-N 323.288 -0.009 50 20 DBGD Cc1cc(NC(=O)NNC(=O)c2cnn(C)c2)c(=O)n(C)c1 757716318 RAEXVNMUDZSMOZ-UHFFFAOYSA-N 304.310 -0.106 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN(C)[C@@H]1CCSC1 766762941 SDSYFXABKGNPQV-SECBINFHSA-N 302.400 -0.904 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)C2CCC2)O1 774776056 PCPIHURSRNMYMX-MNOVXSKESA-N 312.370 -0.247 50 20 DBGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)N2CCOCC2)c1 785407974 FVTYCBQCJZOFRG-CYBMUJFWSA-N 323.349 -0.328 50 20 DBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2ccc[nH]2)c(=O)c1 790483146 ATXWPVRUHACXAQ-OAHLLOKOSA-N 318.333 -0.303 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CSc2n[nH]c(O)n2)n1 794082771 ADQHBYATQNUVSJ-UHFFFAOYSA-N 308.323 -0.233 50 20 DBGD Cc1[nH]c(C(=O)O)c(C)c1C(=O)NNC(=O)C(=O)N1CCCC1 832845582 HPOZQRBIHVFUJO-UHFFFAOYSA-N 322.321 -0.287 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccccc1 843976089 PSYTUCBSUNTOQK-ZYHUDNBSSA-N 305.334 -0.011 50 20 DBGD Cn1cc(C(=O)NNC(=O)NC[C@H](C(=O)O)C2CCC2)cn1 854235703 DFIMEGOWJFKTSR-JTQLQIEISA-N 309.326 -0.135 50 20 DBGD O=C(NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1cc[nH]n1 855359218 JZZMWOYWLKQLIW-FSPLSTOPSA-N 319.243 -0.372 50 20 DBGD CC1(C)COCCN1CCNC(=O)NNC(=O)c1cn[nH]c1 858234895 JLOJQWFRLVSDJF-UHFFFAOYSA-N 310.358 -0.536 50 20 DBGD CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NNC(=O)c2cn[nH]c2)C1 862470678 UTFMIXPFFWTFMO-SECBINFHSA-N 323.309 -0.343 50 20 DBGD COC(=O)N1CCC(CNCc2ccccc2B(O)O)CC1 863890572 ZBDWDAIJHBIYAW-UHFFFAOYSA-N 306.171 -0.066 50 20 DBGD COCCCNC(=O)NNC(=O)/C=C\CN1CCOCC1 865016619 OFIFGUBUUBMPAQ-RQOWECAXSA-N 300.359 -0.758 50 20 DBGD COCC(=O)NCCC(=O)NNC(=O)COc1ccc(C)cc1 1251257258 KOGFOVARDRXTRA-UHFFFAOYSA-N 323.349 -0.326 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc[n+]([O-])c1 1318868634 BVKHTFQSWMTYCQ-UHFFFAOYSA-N 311.301 -0.029 50 20 DBGD Cn1ccnc1[C@](O)(CC(=O)NNc1nc[nH]n1)C(F)(F)F 1324335174 PJQPBZJTHFGTLM-SECBINFHSA-N 319.247 -0.179 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(CO)on1 1329311624 WBSNYKFRBQIUAK-UHFFFAOYSA-N 302.356 -0.346 50 20 DBGD CN(C)N(C(=O)/C=C/c1cn(C)cn1)[C@H]1CCS(=O)(=O)C1 1333970880 ZYSRXVZVHVCKHI-ITKZLYELSA-N 312.395 -0.074 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1ccc(C#N)cc1C(=O)O 1605494554 DBFJQSHPONSOTJ-UHFFFAOYSA-N 312.307 -0.231 50 20 DBGD CCn1c(=O)n(CC(=O)NNC(=O)CN(C)C)c2ccccc21 75653369 MFRXNPNJIAZYOG-UHFFFAOYSA-N 319.365 -0.468 50 20 DBGD COc1cc(C)nc(NNC(=O)c2[nH]nc3c2CNCC3)n1 188580142 DTBZAPYEQHVYAI-UHFFFAOYSA-N 303.326 -0.081 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCCCN1CCOCC1 264139863 XOGDSAWDDHUDQW-UHFFFAOYSA-N 321.381 -0.323 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1F 273461921 HSXWSDVFNKYTMQ-MRVPVSSYSA-N 317.342 -0.167 50 20 DBGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(C)=O)s1 274773342 VMMNYKNVWCJKKU-UHFFFAOYSA-N 308.337 -0.127 50 20 DBGD C#CCO[C@@H](C)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 295204929 PMIKXJLLRNWUSX-XQQFMLRXSA-N 311.382 -0.329 50 20 DBGD O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)C(=O)N1CCCC1 365506318 HASKJLQIWPWLSM-GFCCVEGCSA-N 321.308 -0.101 50 20 DBGD O=C(O)CCN1CCN(S(=O)(=O)CBr)CC1 390126432 IBFMPDVFBHASJY-UHFFFAOYSA-N 315.189 -0.239 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCC(NS(=O)(=O)NC)CC1 491158426 FKAQQFKAWUTURI-MDZDMXLPSA-N 316.383 -0.525 50 20 DBGD O=C(NCC1(CO)CCOCC1)c1ccc(B(O)O)c(F)c1 584965399 QOICYZPUHFMOKR-UHFFFAOYSA-N 311.118 -0.976 50 20 DBGD C[C@@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)CC[S@]1=O 584983366 QKCUVDOCGJIXJA-AOUSDQRYSA-N 313.159 -0.511 50 20 DBGD CC(C)N1CCC(O)(CNCc2ccccc2B(O)O)CC1 585030799 IYEVAENONKZUQD-UHFFFAOYSA-N 306.215 -0.309 50 20 DBGD O=C(CCN1C(=O)c2ccccc2C1=O)N1CC[C@H](B(O)O)C1 585071538 VBAHISHKIKPTAF-JTQLQIEISA-N 316.122 -0.252 50 20 DBGD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](B(O)O)C1 585078537 GCCGFBJTVIJVBE-SSDOTTSWSA-N 315.116 -0.705 50 20 DBGD O=C(NNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)NC1CC1 731454108 RURIBMNICBKGLU-UHFFFAOYSA-N 310.241 -0.227 50 20 DBGD Cc1ncc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[nH]1 737467329 ANAKKHCLQBRJNH-UHFFFAOYSA-N 312.293 -0.027 50 20 DBGD C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)N1CCOCC1 745985953 DVKOIQRQXFIMEQ-SNVBAGLBSA-N 312.370 -0.246 50 20 DBGD C[C@H]1CC[C@@H](C)N1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746103719 WRSKFKUAQMPDIA-OUAUKWLOSA-N 317.411 -0.559 50 20 DBGD C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F 758034079 DMFVAQLJCNRRRL-CRCLSJGQSA-N 305.278 -0.730 50 20 DBGD Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)NNC(=O)CO 764428431 HSUDUEVZVHWPBG-UHFFFAOYSA-N 323.353 -0.454 50 20 DBGD Cn1cnc(CNC(=O)NNC(=O)COc2ccccc2F)n1 768677431 MUYPPWXQWQPIBE-UHFFFAOYSA-N 322.300 -0.136 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 771601803 CZWCXGHRAQGWRY-JOYOIKCWSA-N 319.317 -0.405 50 20 DBGD CNC(=O)COc1ccc(NC(=O)NNC(=O)CN(C)C)cc1 775608537 ZMFDZHSPUINNSU-UHFFFAOYSA-N 323.353 -0.474 50 20 DBGD CCn1c(N)c(C(=O)CN2CC=C(C#N)CC2)c(O)nc1=O 779587185 IHDBGXVZIUTNKY-UHFFFAOYSA-N 303.322 -0.111 50 20 DBGD COC(=O)[C@@H]1[C@@H](O)CCCN1S(=O)(=O)CBr 780899506 WVUYYQTVSKDZDZ-BQBZGAKWSA-N 316.173 -0.333 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1 802097831 AWNHMXPAHUZRRH-UHFFFAOYSA-N 306.278 -0.167 50 20 DBGD O=C(NNC(=O)c1ccc(Cl)nc1)C1=NN2CCCN=C2N1 822404141 BDFTULXKTJPZPA-UHFFFAOYSA-N 321.728 -0.526 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1nc(N(C)C)no1 827057502 GHWXMXQVDDEXGZ-HTQZYQBOSA-N 312.330 -0.609 50 20 DBGD Cn1cccc1C(=O)NNS(=O)(=O)N1CCCOCC1 844644747 NJYRDBMOKGDIMX-UHFFFAOYSA-N 302.356 -0.773 50 20 DBGD Cc1onc(N)c1S(=O)(=O)NNC(=O)[C@H]1CCCCO1 844663010 IEZMMMGNRTYJGQ-SSDOTTSWSA-N 304.328 -0.556 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)Cn1nc2n(c1=O)CCCC2 845073682 DBUQJBICTPJDDC-UHFFFAOYSA-N 311.342 -0.063 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1 847287224 PQLUTJGQRNGWNI-VXGBXAGGSA-N 316.317 -0.404 50 20 DBGD O=C(NN=C1CCN(CCN2CCOCC2)CC1)c1cc[nH]n1 853392237 HBAZOAIAGFSNIH-UHFFFAOYSA-N 320.397 -0.077 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)c1cnn(C[C@@H](O)CO)c1 854247357 VYXMVSDISXCCQI-GFCCVEGCSA-N 318.333 -0.380 50 20 DBGD CCC[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)S(N)(=O)=O 855097447 QLVILGNYSCBZTK-VXNVDRBHSA-N 322.456 -0.263 50 20 DBGD Cn1nncc1NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 857273690 UPTZDLDAPOIHNM-QMMMGPOBSA-N 304.376 -0.778 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)OCC1CC1 858539688 JKCRNUCRTCKPJN-SNVBAGLBSA-N 312.370 -0.199 50 20 DBGD O=C(CSC[C@@H]1CCCCO1)NNC(=O)[C@@H]1CCC(=O)N1 862456474 YPZJNSRYYPFDAY-UWVGGRQHSA-N 315.395 -0.285 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cnc2n1CCCC2 863464006 COUVCDICALBEHN-UHFFFAOYSA-N 300.340 -0.975 50 20 DBGD O=C(NCCC(=O)N1CC[C@@H](B(O)O)C1)OCC(F)(F)F 864234788 WADJJNGPICVQNX-SSDOTTSWSA-N 312.053 -0.260 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C2(CO)COC2)cc1 1116889292 KWPBQKVOCFQHMT-UHFFFAOYSA-N 322.317 -0.692 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)c1cncn1-c1ccccc1 1320282947 ZCUOQSKOXIEYDZ-UHFFFAOYSA-N 316.321 -0.438 50 20 DBGD C[C@@H]1CCS(=O)(=O)CCN1CC(=O)NNC(=O)C1CC1 1320784835 BVPIHQIELZKKCE-SECBINFHSA-N 303.384 -0.947 50 20 DBGD CCn1ncc2ccc(NC(=O)C(=O)NNC(=O)CCO)cc21 1325520380 XSSVDYCIPRDIDU-UHFFFAOYSA-N 319.321 -0.476 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H]2CCC(=O)c3cccn32)N1 1331690483 JPHAYCBLKVFVFU-PSASIEDQSA-N 304.306 -0.568 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCn1cnc2ccccc21 1339818839 PDUSIIVBZMKWLW-UHFFFAOYSA-N 305.294 -0.460 50 20 DBGD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)CS(C)(=O)=O 1351667423 QCRCSLPSIFKQFC-ZETCQYMHSA-N 316.383 -0.288 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1n[nH]cc1Br 1518662270 YOAWQAFRMNNOME-UHFFFAOYSA-N 318.131 -0.542 50 20 DBGD Cn1cc(C(=O)NNC(=O)/C=C\[C@H]2CCCNC2)ccc1=O 1579953384 WRLGKIAQTNQMOU-VLWUPBBWSA-N 304.350 -0.298 50 20 DBGD Cn1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)nn1 1592565923 OCHKREQWEOAFLP-UHFFFAOYSA-N 320.704 -0.200 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 1593413921 BJZDFYQTJOGNHJ-LLVKDONJSA-N 301.310 -0.069 50 20 DBGD COCCOCC(=O)NNC(=O)c1coc(/C=C/C(=O)O)c1 1594017759 BITXGWIFARZEOG-NSCUHMNNSA-N 312.278 -0.199 50 20 DBGD CN(C)c1cc(C(=O)O)ccc1NC(=O)NNC(=O)CCO 1598300673 WJOBCDDDCQCKTO-UHFFFAOYSA-N 310.310 -0.014 50 20 DBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(C)=O)cc1C(=O)O 1598978825 ZLZPBZFIKQLHPZ-UHFFFAOYSA-N 323.261 -0.723 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)NC[C@H](F)C(=O)O 1599703962 LMADAEAQRNQQHG-VIFPVBQESA-N 313.285 -0.009 50 20 DBGD O=C(NCCOC(F)(F)C(F)(F)F)NNC(=O)C(=O)O 1601504474 NCWVQKLMTFYEAG-UHFFFAOYSA-N 309.147 -0.427 50 20 DBGD COCCN(C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1 1605094963 NXNUBHISZNLIGP-UHFFFAOYSA-N 306.326 -0.145 50 20 DBGD COCCN1CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC1 111196923 PLHNYBNKNGKAIC-CYBMUJFWSA-N 314.430 -0.168 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)CCCc1n[nH]c(N)c1C#N 121442379 ILRKSZJOFYNYGR-VIFPVBQESA-N 321.385 -0.326 50 20 DBGD COc1ccnc(NNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 267529292 YTFSJCWQSZLUSK-QMMMGPOBSA-N 306.326 -0.125 50 20 DBGD CCN1CCN(CC(=O)NNc2cc(C)ccn2)C(=O)C1=O 268044178 VZVXGBWTWXUHAE-UHFFFAOYSA-N 305.338 -0.476 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1ccncc1 272999084 ODIRESWUUQHFCH-UHFFFAOYSA-N 302.356 -0.519 50 20 DBGD CC[C@H](NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)OC 279674583 DSKUOWBIBNZFIB-NSHDSACASA-N 304.310 -0.152 50 20 DBGD COC(=O)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 495368115 XKUKKZXSIQDTNP-JTQLQIEISA-N 305.290 -0.107 50 20 DBGD NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(B(O)O)cc1 584937272 RCLZRNYBELCHQJ-XBFCOCLRSA-N 316.166 -0.375 50 20 DBGD O=C1C[C@H](NCc2ccc(B(O)O)o2)CN1c1ccccc1 585037685 GZYWFLASTDDDHU-NSHDSACASA-N 300.123 -0.146 50 20 DBGD COc1ccccc1[C@@](N)(C(=O)NCB(O)O)C(F)(F)F 585074450 YUAUNSMJHBCCOV-SNVBAGLBSA-N 306.049 -0.460 50 20 DBGD C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)NNC(=O)C1CC1 733311417 UFEJJGJIUNJSSD-DTWKUNHWSA-N 305.400 -0.703 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CC[C@H](COCCOC)C1 744416757 FYFXFFQOHYQMJQ-RYUDHWBXSA-N 301.387 -0.083 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)CN1Cc2ccccc2C1=O 755285361 AKACCCOSWQMOOK-UHFFFAOYSA-N 313.317 -0.244 50 20 DBGD CCc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)no1 756688659 QDSNHXJKXDAKJX-ZCFIWIBFSA-N 319.343 -0.673 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 763269990 CBKAVXTYTNQKHI-UHFFFAOYSA-N 307.270 -0.408 50 20 DBGD C[C@@H]1CN(CC(=O)NNC(=O)C2CC2)CCN1CC(C)(C)O 782010222 DFTVTXPMWFLIGW-LLVKDONJSA-N 312.414 -0.679 50 20 DBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1cccc(Cl)c1 782579233 HDTIRLHGKRZDGK-UHFFFAOYSA-N 312.757 -0.221 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CCC(=O)N1C 786177763 LBCRCEZNFJDILM-VHSXEESVSA-N 313.354 -0.268 50 20 DBGD Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)C(C)(C)O 787945942 NGUJPMGBOUYNHC-UHFFFAOYSA-N 320.353 -0.408 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1cn(C(C)(C)C)nn1 790162241 OGOTULDPKMNNJK-MRVPVSSYSA-N 316.387 -0.579 50 20 DBGD Cc1cccc(C(=O)NNC=C2C(=O)N(C)C(=O)N(C)C2=O)n1 794846256 ZYPMHPOVNQHJCG-UHFFFAOYSA-N 317.305 -0.441 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802097496 NCCHKYYIQCNVGR-UHFFFAOYSA-N 309.282 -0.374 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NNc1ncccc1F 804214436 XVVUXRCUKTTWFS-UHFFFAOYSA-N 311.317 -0.304 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cnc3[nH]c(O)nc3c2)cn1 809684971 ULWNHRFYYCHGRE-UHFFFAOYSA-N 301.266 -0.528 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)CO)cc(-c2nn[nH]n2)n1C 822029069 VABXIMATTPOSIW-TYXSZMRMSA-N 315.337 -0.082 50 20 DBGD CN1C(=O)CS/C1=C/C(=O)NNC(=O)NCC(F)(F)F 822671755 PNJFGSQUKTXWTL-FARCUNLSSA-N 312.273 -0.074 50 20 DBGD C[C@H](CO)N(C)NC(=O)CCCS(=O)(=O)N1CCCC1 823971481 VBJCIDQEVNNQJS-LLVKDONJSA-N 307.416 -0.464 50 20 DBGD NC(=O)c1ccc(/C=C\C(=O)NNC(=O)N2CCOCC2)o1 824621748 WDNBDNNIZOFTTR-RQOWECAXSA-N 308.294 -0.535 50 20 DBGD CCC[C@H](C(=O)NNC(=O)c1cccc(C)n1)S(N)(=O)=O 834816109 OKLNJMZEEPEGRF-SNVBAGLBSA-N 314.367 -0.392 50 20 DBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1C 860768343 QFWRCIOAPPFFQD-QMMMGPOBSA-N 323.309 -0.757 50 20 DBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc12 862450956 FHLDZZNZUCTQPL-SECBINFHSA-N 302.294 -0.694 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H](O)CCc2ccccc2)N1 862457669 NWWQYYNNSJWDNN-NWDGAFQWSA-N 305.334 -0.594 50 20 DBGD Cc1cc(=NNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc[nH]1 862509191 HCXFMZAHOXXENE-HNNXBMFYSA-N 317.349 -0.024 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)s1 864231760 RTDJPBICHZOUFF-ZETCQYMHSA-N 319.169 -0.228 50 20 DBGD N#Cc1csc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1116226301 BVKBMIQGGVIJGW-QMMMGPOBSA-N 313.360 -0.185 50 20 DBGD Cc1csc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)c1 1118943098 KCWLJVLFTBCXRF-SSDOTTSWSA-N 310.335 -0.194 50 20 DBGD CCCNC(=O)NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1318039427 KZQDMCGJLXZSHU-UHFFFAOYSA-N 320.309 -0.612 50 20 DBGD Nc1cnnc(NNC(=O)CN2CCCS2(=O)=O)c1Cl 1319327714 BUDYARHBJOWGCE-UHFFFAOYSA-N 320.762 -0.809 50 20 DBGD Cc1cc(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)ccc1F 1320564017 ZZZVXJNKRSGRTA-UHFFFAOYSA-N 322.296 -0.501 50 20 DBGD Cc1nnc(CC(=O)NNC(=O)COc2ccccc2O)o1 1324743394 YAWDQMIRMQYZRC-UHFFFAOYSA-N 306.278 -0.147 50 20 DBGD O=C(NNC(=O)c1ccnc(C2CC2)n1)C(=O)N1CCCC1 1338941276 BEHPDNSWBIFPDY-UHFFFAOYSA-N 303.322 -0.263 50 20 DBGD Cc1cc(CC(=O)NNC(=O)[C@H]2CO[C@H](CCC(=O)O)C2)n[nH]1 1574326009 FULFXYBHPDCMIN-MWLCHTKSSA-N 324.337 -0.322 50 20 DBGD CNC[C@@H](O)[C@H](C)C(=O)NNC(=O)c1ccc(Cl)nc1 1578648147 YYVWHUOGFDOYGE-IONNQARKSA-N 300.746 -0.288 50 20 DBGD O=C(NNC(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O)[C@@H]1CCN1 1580732523 FHOWCPPBQCJFEY-SRVKXCTJSA-N 303.318 -0.200 50 20 DBGD O=[N+]([O-])c1cc(N2CC[C@H](B(O)O)C2)ccc1-c1nn[nH]n1 1593472027 RNRANHPTYCHTPE-ZETCQYMHSA-N 304.075 -0.172 50 20 DBGD Cc1nn(CC(=O)NNc2ccc(C(=O)O)cc2F)c(=O)n1C 1600780712 LYQXGZVRHQXLEA-UHFFFAOYSA-N 323.284 -0.129 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(-c2nn[nH]n2)nc1 1606851662 HJUHTMNFOLJJLP-JTQLQIEISA-N 317.309 -0.408 50 20 DBGD CC[C@@H](NC)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1843001526 YYLBBJHYWGGRLT-MNOVXSKESA-N 317.817 -0.213 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)Cc2nc3ncccn3n2)cc1 142400702 ONFLPAHYPBWSQU-UHFFFAOYSA-N 321.300 0.000 50 20 DBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 266771981 KCIUCLWQBGBXKI-LLVKDONJSA-N 308.294 -0.314 50 20 DBGD CC(C)N1C(=O)C[C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1=O 491158250 DLTKZKJQMXXLEZ-QNCMIEPLSA-N 315.333 -0.021 50 20 DBGD O=C(CCNC(=O)c1ccc(B(O)O)cc1)NC1CCCC1 584935088 YDGMRVACSXLQMG-UHFFFAOYSA-N 304.155 -0.455 50 20 DBGD C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc(B(O)O)ccc1F 584972714 FFXYJCPPLGSJLF-ZPWHCFADSA-N 301.148 -0.656 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@H](O)C(F)(F)C1 585005407 AHOKSJKERCHGJJ-JTQLQIEISA-N 303.045 -0.652 50 20 DBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)Cc1cccnc1 728856121 HOTJCABSWBYDQK-UHFFFAOYSA-N 309.351 -0.026 50 20 DBGD CN(CC(=O)NNC(=O)COc1ccccc1O)C(=O)C1CC1 730841749 LJJWSFUWKPIVAM-UHFFFAOYSA-N 321.333 -0.213 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1cccnc1-n1cccn1 745987629 BVIAWZKWSRDFPI-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD O=C(CO)NNC(=O)CCn1c(S)nc2ccccc2c1=O 753438779 RWQBJDKFGJGQSZ-UHFFFAOYSA-N 322.346 -0.785 50 20 DBGD CCn1nc(C)c(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 755700645 YXNYLPVIDBAYRE-SECBINFHSA-N 315.399 -0.092 50 20 DBGD CCOC(=O)c1cnn(CC(=O)NNC(=O)C2CC2)c1C#N 758869023 PPDSUEBMZJIQTP-UHFFFAOYSA-N 305.294 -0.511 50 20 DBGD CC(C)c1nccnc1NNC(=O)[C@@H](C)NS(C)(=O)=O 772875382 OEYQMVBOXIJHIT-MRVPVSSYSA-N 301.372 -0.019 50 20 DBGD CN(C)NC(=O)Nc1cccc(NC(=O)Cn2cnnn2)c1 791276992 FWVWZXGOYYSQLZ-UHFFFAOYSA-N 304.314 -0.090 50 20 DBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)(C)n1cncn1 794487884 FKQGFKVKUSRXHU-JTQLQIEISA-N 313.383 -0.060 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1(c2ccccc2)CC(=O)C1 813377651 ISAIHWLJGBVCLH-UHFFFAOYSA-N 317.345 -0.041 50 20 DBGD COC(=O)[C@H]1C[C@H](NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)C1 824177902 VUXQTZQWRUVVMR-KBVBSXBZSA-N 319.383 -0.681 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCCN1CCOCC1 825525970 LDDDBGKGCIBCBD-VXGBXAGGSA-N 314.386 -0.536 50 20 DBGD CC(=O)NCCN(C)C(=O)NNC(=O)c1cccc(C#N)c1 825906856 LVLQNRLEJVAHJK-UHFFFAOYSA-N 303.322 -0.019 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)O)c1 825923180 RZQHMVLTBKIMMK-NXEZZACHSA-N 306.278 -0.478 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@]2(O)CCOC2)c1 840237266 IPHLXRPQKHXLMD-HNNXBMFYSA-N 308.334 -0.019 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)NC[C@@H]1CNCCO1 842012241 WBRFSKRXSRZDQC-ZDUSSCGKSA-N 306.366 -0.144 50 20 DBGD COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)CCl)C1 849389172 FTXGSUMPRBJDCB-VHSXEESVSA-N 301.792 -0.142 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 856759129 XKGHCGIJEOFPMK-GRYCIOLGSA-N 317.386 -0.706 50 20 DBGD C[C@H]1CC2(CCOCC2)CN1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 858702421 JNADFJLYXXSWKL-QWRGUYRKSA-N 324.381 -0.103 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(OC)n[nH]1 861382373 ZLBRMVHDHMYLTG-ZETCQYMHSA-N 301.303 -0.378 50 20 DBGD Cn1cc(S(=O)(=O)NCC(Cl)Cl)c(=O)n(C)c1=O 867471678 PGQCZYOPOOJOMV-UHFFFAOYSA-N 316.166 -0.834 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)[C@@H]2CCCCO2)cn1 868619501 NZYRBNWWWZGPNN-LBPRGKRZSA-N 309.370 -0.225 50 20 DBGD C[S@@](=O)c1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1 913730239 NMJHIMFRQXURAF-JOCHJYFZSA-N 323.374 -0.193 50 20 DBGD O=C(NNC(=S)NCCc1cccnc1)C(=O)NC1CC1 1115972240 UGGNPUWGQQUNNS-UHFFFAOYSA-N 307.379 -0.602 50 20 DBGD Cn1cc(CCNC(=O)NNC(=O)Cc2cccnc2)cn1 1115984295 NPIJOBCIXBZRCE-UHFFFAOYSA-N 302.338 -0.069 50 20 DBGD C[C@@]1(NNC(=O)NOC[C@@H]2CCOC2)CCS(=O)(=O)C1 1116749891 RPQISMSGMZJEGR-MWLCHTKSSA-N 307.372 -0.665 50 20 DBGD NC(=O)c1csc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1252815869 MSRWWPNOIRDHAV-SSDOTTSWSA-N 315.376 -0.268 50 20 DBGD C[C@@H]1Oc2ccc(NC(=O)NNC(=O)CCO)cc2NC1=O 1254979732 HBCKUMNBCZSLPD-ZETCQYMHSA-N 308.294 -0.059 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNc2ncccn2)cc1 1318339997 GBZLMMPTPUFULG-UHFFFAOYSA-N 307.335 -0.190 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 1320231655 FRXSKSGUCXPBEE-UHFFFAOYSA-N 306.278 -0.373 50 20 DBGD COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1ccc(B(O)O)cc1 1329185329 XPHYOURWLTVHLI-SNVBAGLBSA-N 313.065 -0.611 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CC1)CNC(=O)N2C 1345672275 RNMYNWGCOUTBHQ-JTQLQIEISA-N 311.386 -0.578 50 20 DBGD O=C(NCc1ccc(C(=O)O)cc1)NNC(=O)c1ncon1 1574819341 HQKSEHPQAYWMAB-UHFFFAOYSA-N 305.250 -0.088 50 20 DBGD COc1ccccc1[C@@H](N)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1579301458 MEOZLNMQNNZTBM-BXKDBHETSA-N 306.322 -0.879 50 20 DBGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)[C@@H]1CCCNC1 1580509217 SYPXCKGGXAKOPE-NXEZZACHSA-N 301.368 -0.918 50 20 DBGD Cc1nc(C(=O)NNC(=O)NCC2CC2)ccc1-c1nn[nH]n1 1592349375 MGDJJGRUTIHXMV-UHFFFAOYSA-N 316.325 -0.076 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)n2ncc(-c3nn[nH]n3)c2N)cn1 1592567327 WAJQNKUFFVBJGF-WAPJZHGLSA-N 310.281 -0.374 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)O)C2)nc1O 1594492353 BNTOXTQFPVRMER-JGVFFNPUSA-N 311.298 -0.401 50 20 DBGD COc1ccc(S(=O)(=O)NNC(C)=O)c(OC)c1C(=O)O 1599617236 OSPXJGDUNMUJPO-UHFFFAOYSA-N 318.307 -0.269 50 20 DBGD O=C(CCc1ocnc1C(=O)O)NNC(=O)Cc1cc[nH]n1 1601297446 ZAEOSWYWFIGAMX-UHFFFAOYSA-N 307.266 -0.581 50 20 DBGD CC[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1)N(C)C 246243428 XPYQQDLBIRWKMA-RWMBFGLXSA-N 314.430 -0.027 50 20 DBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1ccccn1)C(C)C 265845259 AGROZNRUTVDPLL-LBPRGKRZSA-N 308.338 -0.370 50 20 DBGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)NC)cc1 273602179 VSIJNMZVEWHKDQ-UHFFFAOYSA-N 314.367 -0.513 50 20 DBGD COC(=O)C12CCC(C(=O)NNc3nccn(C)c3=O)(CC1)C2 365294791 JOEGIBLEOMMGIJ-UHFFFAOYSA-N 320.349 0.347 50 20 DBGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)CO)CC2=O)cc1 370344744 ZRSVYAVKXWZAEX-LLVKDONJSA-N 321.333 -0.817 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 496537239 WTRDMZLHAMHUCH-RNFRBKRXSA-N 302.287 -0.676 50 20 DBGD CCO[C@@H](C)c1noc(CNC(=O)c2cccc(B(O)O)c2)n1 584952112 MMWVZLVPUQUCLX-VIFPVBQESA-N 319.126 -0.223 50 20 DBGD CC1(C)CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H](CO)O1 584999089 CYUVISYFTWKGMB-SNVBAGLBSA-N 311.118 -0.883 50 20 DBGD CN(C)C(=O)[C@H](Cc1ccccc1)NCc1ccc(B(O)O)o1 585021436 KKZZXDDWXCGPSS-AWEZNQCLSA-N 316.166 -0.252 50 20 DBGD C[C@@H](CNCc1ccc(B(O)O)cc1F)CN1CCOCC1 585025477 VJDNPENHKYTWBD-LBPRGKRZSA-N 310.178 -0.437 50 20 DBGD CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCB(O)O)c1 585057208 PFFFWGJMDCWCIV-UHFFFAOYSA-N 320.563 -0.702 50 20 DBGD O=C1CC(C(=O)NNC(=O)Cn2cnc3ccccc32)=NN1 732260152 OZRCCFLSHHHTQO-UHFFFAOYSA-N 300.278 -0.940 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C 736879744 ZMUZLWZACUZAOM-UHFFFAOYSA-N 311.327 -0.703 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1 746548653 UDQOATFKIZBQAA-SECBINFHSA-N 303.322 -0.451 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN(C)CC(=O)NC(C)C)o1 752526557 DVIPBJHJJCUMBH-UHFFFAOYSA-N 310.354 -0.195 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cnc2c(c1)nnn2C 755297997 QQHAIWCYOITRJK-UHFFFAOYSA-N 300.282 -0.530 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCSCC1 758025475 MDSDZRYNQCMNIR-ZETCQYMHSA-N 309.413 -0.785 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc(C#N)c1)[C@H]1CCNC1=O 759434553 CHPSGRATITUQNC-LBPRGKRZSA-N 315.333 -0.860 50 20 DBGD C[C@H]1CN(CC(C)(C)O)CCN1CC(=O)NNC(=O)C1CC1 781943073 LKPVHIPSXWSMGC-NSHDSACASA-N 312.414 -0.679 50 20 DBGD CS(=O)(=O)NC1CC(NC(=O)NNc2ccc(F)cn2)C1 801068042 OELOJFCBBZXQRD-UHFFFAOYSA-N 317.346 -0.073 50 20 DBGD O=C(CC(=O)NNC(=O)N=c1cc[nH]cc1)NCC(F)(F)F 802025499 JOJXKXDMVQLUKW-UHFFFAOYSA-N 319.243 -0.275 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@]12CCC(=O)N1CCS2 802030783 RLZJLHGLGFIRPN-CYBMUJFWSA-N 321.362 -0.278 50 20 DBGD CN(CC(=O)NNc1cccc(F)n1)[C@@H]1CCS(=O)(=O)C1 804774460 LHPVJHITTIRRMN-SECBINFHSA-N 316.358 -0.217 50 20 DBGD CN(CC(=O)O)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 820569481 RUBICHVIDZTSBL-UHFFFAOYSA-N 310.266 -0.628 50 20 DBGD CC(C)C(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 824183987 ALJZDSUCIPCMAV-JTQLQIEISA-N 304.310 -0.297 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc(C#N)cc1 824692976 BUUBJBFKKQWHRA-VIFPVBQESA-N 324.362 -0.353 50 20 DBGD CCn1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n1 824939370 UBRVACMMUCCPNR-QMMMGPOBSA-N 315.355 -0.510 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)N1CCCC1 843781015 UVKQBPWZLQPFES-NSHDSACASA-N 322.365 -0.843 50 20 DBGD COC[C@H]1C[C@@H](O)CN1[C@@H](C)C(=O)NNC(=O)CC(C)C 844404669 SSZVELCTDAXUGR-QJPTWQEYSA-N 301.387 -0.350 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC[C@@H]1C(N)=O 847299283 YVBZOMHKUOCDSX-UWVGGRQHSA-N 315.333 -0.085 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)c2cnn(C)c2)CC1 849307668 BRUPWHHURCAUNR-UHFFFAOYSA-N 317.371 -0.990 50 20 DBGD C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 857855531 ZXSDQYNOQDGVDV-GXSJLCMTSA-N 319.365 -0.155 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CCc2cnc(N)nc2C1 857924384 FADZLQNAPCHMKD-UHFFFAOYSA-N 306.370 -0.390 50 20 DBGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)CS(C)(=O)=O)C2 863186461 YMSUBYPLEZDRCX-RYUDHWBXSA-N 317.411 -0.224 50 20 DBGD COCc1ccc(C(=O)NNC(=O)CS(C)(=O)=O)cc1 863458566 AMBNLTCJZBCFPD-UHFFFAOYSA-N 300.336 -0.361 50 20 DBGD C[C@@](O)(C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863465735 JWUZOJBENPDFIP-LBPRGKRZSA-N 300.336 -0.914 50 20 DBGD CON(CC1CCOCC1)C(=O)c1cc(B(O)O)ccc1F 863880486 BDTSRPYRGGDJLD-UHFFFAOYSA-N 311.118 -0.064 50 20 DBGD COC(=O)c1cc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cn1C 864232304 ZKXPQFAKGGFKTO-QMMMGPOBSA-N 316.144 -0.951 50 20 DBGD CC(C)(C)CC(=O)NCC(=O)NNC(=O)CN1CCCC1=O 920432651 FSSZJCFMGBYJLJ-UHFFFAOYSA-N 312.370 -0.691 50 20 DBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1C1CC1 1118971451 XQCWQUKIGFFQDS-NSHDSACASA-N 318.333 -0.469 50 20 DBGD CCOCC(=O)NNC(=O)NCCc1nnc(S)n1C 1261664922 WBKGWJDTAAWMTG-UHFFFAOYSA-N 302.360 -0.987 50 20 DBGD C[C@H](C(=O)NNc1ccccc1S(C)(=O)=O)S(C)(=O)=O 1319198199 BABDSOCQTIHXEJ-MRVPVSSYSA-N 320.392 -0.034 50 20 DBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCO)c(C)c1 1320240934 MXZTZNDWGKZTLS-UHFFFAOYSA-N 323.305 -0.750 50 20 DBGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)OC)c1 1320544037 QTINYMMVLFWAPV-UHFFFAOYSA-N 309.278 -0.272 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1O 1320923015 JTZAKIZTMOWBDO-JTQLQIEISA-N 323.330 -0.540 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H](C(N)=O)c1ccccn1 1326299606 RMEVFBZZYZFNHE-IQJOONFLSA-N 321.337 -0.637 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CNC(C)(C)CC(N)=O 1328612559 NKQZOLPTSUBNFT-UHFFFAOYSA-N 320.393 -0.071 50 20 DBGD COc1ccc(C(=O)NNC(=O)CCn2ncn(C)c2=O)cc1 1330304685 JBQBBVORLBGIGB-UHFFFAOYSA-N 319.321 -0.558 50 20 DBGD Cc1nc(NC(=O)NNC(=S)NCC(=O)NC(C)C)no1 1342045999 GXDQIWXMPVQCFE-UHFFFAOYSA-N 315.359 -0.597 50 20 DBGD O=C(CCO)NNC(=O)N=c1cc[nH]cc1Br 1342677116 YHKROIAIAQGYRT-UHFFFAOYSA-N 303.116 -0.199 50 20 DBGD COCCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1591430982 TYBRPOVZTDKFEC-UHFFFAOYSA-N 321.366 -0.378 50 20 DBGD C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NNC(=O)C(=O)O)O2)[C@H]1C 1594641354 XACWSZCNDLMBNO-NMSKTSORSA-N 315.326 -0.626 50 20 DBGD CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](F)Cl 1847765799 ZBXFQZRNMNLADA-DKCNOQQISA-N 305.737 -0.141 50 20 DBGD COCCCNC(=O)NNC(=O)COc1ccc(C(N)=O)cc1 139522708 GWTUSRDDGNMHPN-UHFFFAOYSA-N 324.337 -0.469 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2CCCC2=O)cc1 263759849 ZUTQFLTWPTXBKQ-UHFFFAOYSA-N 318.333 -0.297 50 20 DBGD CC(C)(C)OC(=O)CCNC(=O)NNC(=O)C(=O)NC1CC1 266775425 JBIDXVXIYBWZOB-UHFFFAOYSA-N 314.342 -0.673 50 20 DBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccccc1F 269285550 NKUUSSZMSWVBIJ-UHFFFAOYSA-N 303.315 -0.474 50 20 DBGD O=C(NNC(=O)[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1O 269367853 VWVNNFVVQSXKKC-SECBINFHSA-N 311.250 -0.523 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 278514237 BGNPOUOOUJGSOT-ZDUSSCGKSA-N 320.349 -0.185 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@H]2COCCN2CC2CCC2)cn1 287836373 DELMCBRIERISII-CYBMUJFWSA-N 321.381 -0.318 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)CCCCl)C1 400124447 NHNJKFSSILXDPO-MRVPVSSYSA-N 304.821 -0.431 50 20 DBGD CC(C)(C)OC(=O)Nc1cnc(C(=O)NNC(=O)CO)cn1 496724085 AYSNIRKDPFOKFC-UHFFFAOYSA-N 311.298 -0.423 50 20 DBGD O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1cc(B(O)O)ccc1F 584962800 KTVJFPJZACUXRI-COPCRZHJSA-N 307.130 -0.358 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCS[C@@H]2COCC[C@H]21 584965817 UCTVDILNWACEJK-CHWSQXEVSA-N 307.180 -0.287 50 20 DBGD COCC[C@@]1(NC(=O)c2cc(B(O)O)ccc2F)CCOC1 584981786 HUISXCPYNJMNEA-CQSZACIVSA-N 311.118 -0.569 50 20 DBGD Cc1noc(C2CN(C(=O)c3cc(B(O)O)ccc3F)C2)n1 584982449 KWHJESWBFWUDIW-UHFFFAOYSA-N 305.074 -0.563 50 20 DBGD O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc(B(O)O)c1 585006457 WLCJEUNIRVRVGH-HNNXBMFYSA-N 318.182 -0.651 50 20 DBGD CC(C)C[C@H](CNCc1ccc(B(O)O)o1)N1CCOCC1 585016801 ZWBVXHFHJIAAOO-CYBMUJFWSA-N 310.203 -0.204 50 20 DBGD CC(C)(C)N1C[C@@H](NCc2ccc(B(O)O)cc2F)CC1=O 585025716 AUFLPANAGCTSRE-LBPRGKRZSA-N 308.162 -0.006 50 20 DBGD COCc1nc2n(n1)CCC[C@@H]2NCc1ccc(B(O)O)o1 585030689 IDIQASFTUNOJJE-JTQLQIEISA-N 306.131 -0.678 50 20 DBGD C[C@@H](c1nc(-c2ccc(B(O)O)cc2)no1)N1CCOCC1 585050492 ARMRVBBNNMWWAO-JTQLQIEISA-N 303.127 -0.190 50 20 DBGD COc1cccc(C(=O)NCC(=O)N2CC[C@@H](B(O)O)C2)c1 585066478 OXCPMNQCLDMRKP-LLVKDONJSA-N 306.127 -0.500 50 20 DBGD NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCCCCl)C1 707497244 KJAYMTNOQDALIK-MRVPVSSYSA-N 304.821 -0.302 50 20 DBGD NC(=O)CNC(=S)NNC(=O)c1cccc2ncccc12 730153650 KDVOUZKTNIJZBF-UHFFFAOYSA-N 303.347 -0.171 50 20 DBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)C2CCC2)C1 732243239 VZDBUGSIYZPKQQ-SNVBAGLBSA-N 318.399 -0.459 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)Cc1cn2ccccc2n1 746640690 IDVFCNPFTDIPTF-SNVBAGLBSA-N 317.349 -0.061 50 20 DBGD C[C@H](CN1CCCC1=O)NC(=O)NNC(=O)Cc1ccncc1 747505208 YHJMHGATQOJCSM-LLVKDONJSA-N 319.365 -0.035 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)nc1 753300238 SPKSCXPFFLNJLS-UHFFFAOYSA-N 313.317 -0.024 50 20 DBGD CCCc1cc(NC(=O)C(=O)NNC(=O)COCC)n(C)n1 764327010 SSTZAZRPLCSRIM-UHFFFAOYSA-N 311.342 -0.505 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)C(C)C)cn1 769627648 VPXLNJRUNBVSAO-UHFFFAOYSA-N 301.324 -0.166 50 20 DBGD CC(Cl)(Cl)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 776752311 IPTVBBVSGMNDLI-RXMQYKEDSA-N 303.167 -0.238 50 20 DBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)NCC(F)(F)F 798314510 ONCRBYYQGVXFIG-UHFFFAOYSA-N 319.305 -0.050 50 20 DBGD COC(=O)c1c(F)cc(NC(=O)NNC(=O)CO)cc1F 801845657 PKBZJPSXXTUMPS-UHFFFAOYSA-N 303.221 -0.104 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)NC(=O)CC 807370267 CQQAOACWIYRPON-VIFPVBQESA-N 303.359 -0.162 50 20 DBGD CCc1cc(C(=O)NNC(=O)N2CCN(C)CC2)c(C)nn1 807382348 GOJAHXFMGNHWNJ-UHFFFAOYSA-N 306.370 -0.051 50 20 DBGD NC(=O)C[C@H]1CCN(CC(=O)NNC(=O)c2ccccc2)C1 808774897 FFSNQQYWQGJODP-LLVKDONJSA-N 304.350 -0.355 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)c2cn(C)nn2)c1 809571653 ANMVQKQTVCFLGY-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCSC1 809972042 CDEIPRUYMQQKOB-BDAKNGLRSA-N 306.409 -0.288 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](C(=O)O)[C@@H](C)C1 814835069 GDICBYRWRJJNCM-OYNCUSHFSA-N 319.383 -0.083 50 20 DBGD O=C(O)CCNC(=O)NNC(=O)CNC(=O)c1cccs1 819492585 PCDSOGAVAXWTMU-UHFFFAOYSA-N 314.323 -0.717 50 20 DBGD CN(C)C1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 831794309 JVLSTRYBQMMMOA-UHFFFAOYSA-N 300.359 -0.247 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C 843659001 GYBRDLBMKALVFV-BDAKNGLRSA-N 306.384 -0.228 50 20 DBGD COc1ccnc(NNC(=O)[C@@H]2CCc3nnnn3CC2)n1 845182785 VNCFKHMVRXNZAE-MRVPVSSYSA-N 304.314 -0.433 50 20 DBGD CCCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)cnc1C 847393471 GHIINNNPDQOWRW-UHFFFAOYSA-N 315.355 -0.609 50 20 DBGD CCS(=O)(=O)C1CN(CC(=O)NNC(=O)C(C)(C)C)C1 852142715 ZZDNRTTWMCAWQP-UHFFFAOYSA-N 305.400 -0.701 50 20 DBGD COc1c(C(=O)NNC(=O)N2CCN(C)CC2)c(C)nn1C 854379319 WXPFNXJLJIYUDB-UHFFFAOYSA-N 310.358 -0.661 50 20 DBGD CN(NC(=O)c1cnn(C[C@@H](O)CO)c1)C(=O)OC(C)(C)C 854918900 OCZRETYKZJYJEU-SNVBAGLBSA-N 314.342 -0.252 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 857170308 NMMVJDAFODMNQS-VIFPVBQESA-N 309.297 -0.292 50 20 DBGD O=C(NNC(=O)[C@@]1(C2CCCC2)CCNC1=O)N1CCOCC1 858906532 VQWOCAABDAKNSU-OAHLLOKOSA-N 324.381 -0.244 50 20 DBGD O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)[C@H]1CCC(=O)N1 862459685 XBMXIDLAPFRDPW-SNVBAGLBSA-N 301.306 -0.469 50 20 DBGD CCN1CCC[C@H]1CNC(=S)NNC(=O)[C@@H]1CCC(=O)N1 863203148 BLJWIUMAIFUTFJ-UWVGGRQHSA-N 313.427 -0.755 50 20 DBGD CN(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCC1 863852657 UWVNNYLJRGLHLC-VIFPVBQESA-N 303.384 -0.947 50 20 DBGD CN(C)c1cccnc1C(=O)NNC(=O)CN1CCCC1=O 913733422 IWCWVKASPFSFKR-UHFFFAOYSA-N 305.338 -0.469 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1cccnn1 1116801164 RIRSAEZXJPLDIW-UHFFFAOYSA-N 324.341 -0.168 50 20 DBGD O=C1NC(=O)C2(CCC(C(=O)NNc3ncncc3F)CC2)N1 1117730776 SOLYDOZXKQIXEE-UHFFFAOYSA-N 322.300 -0.173 50 20 DBGD CC(=O)Nc1cc(NC(=O)C(=O)NNC(=O)CO)ccc1C 1254911118 XLPTXMFEIIJUCP-UHFFFAOYSA-N 308.294 -0.968 50 20 DBGD O=C(NNC(=O)N1CCN(c2ccccn2)CC1)c1cn[nH]c1 1261792232 QNWSROBZEJBDAG-UHFFFAOYSA-N 315.337 -0.019 50 20 DBGD CN1CC[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1=O 1319494160 OUCDHVQRUJKSNH-ZETCQYMHSA-N 319.325 -0.620 50 20 DBGD C[C@H](NCc1cccc(B(O)O)c1)C(=O)NCC(F)(F)F 1330602664 QAFURBWIAWODTJ-QMMMGPOBSA-N 304.077 -0.477 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)c2cnccn2)CC1 1333145980 UBXZBZCTUOVQCM-UHFFFAOYSA-N 315.355 -0.933 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N(CCN)CCO)C[C@H]1Br 1334720350 FSUUAJUFHQKEPJ-KCJUWKMLSA-N 322.203 -0.944 50 20 DBGD COCCOC[C@H]1CCN(C(=O)NNC(=O)c2cn[nH]c2)C1 1334930426 KTGFUMJXQFRMSI-JTQLQIEISA-N 311.342 -0.251 50 20 DBGD O=C(NCc1ccc2c(c1)COC2)NNC(=O)C(=O)NC1CC1 1340698370 VUWUJISTQOFKEJ-UHFFFAOYSA-N 318.333 -0.174 50 20 DBGD O=C(O)CN1CCC[C@H](C(=O)NNc2ccnc(F)c2)C1=O 1574718635 ANVRAOJXXUXHKZ-SECBINFHSA-N 310.285 -0.013 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 1596862073 MPKGFYVZLMCFKG-PCYYEKQGSA-N 316.335 -0.469 50 20 DBGD C[C@@H](C(=O)O)N(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1599830611 FTTDUMAHAGXEKN-QMMMGPOBSA-N 324.293 -0.239 50 20 DBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)N=c1cc[nH]cc1 1601284883 IEAPBGSFGJEXJN-GXSJLCMTSA-N 322.321 -0.074 50 20 DBGD O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNC(=O)C1CCOCC1 1601524614 AGAVEHYWTTXGGP-NXEZZACHSA-N 315.326 -0.767 50 20 DBGD C=C(CCC(=O)O)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1602774376 HYBBLIYOGWKSCO-JTQLQIEISA-N 304.368 -0.100 50 20 DBGD Cc1cc(C(=O)NNC(=O)COc2c(C)nn(C)c2C)[nH]n1 153311656 QYZZPGUXTAPFEN-UHFFFAOYSA-N 306.326 -0.092 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)NC1CC1 263818895 PMPTUMYHBNAPJE-LLVKDONJSA-N 305.290 -0.748 50 20 DBGD CN(CCNC(=O)NNC(=O)c1cnn(C)c1)CC(F)(F)F 265432585 SEYGVVBJZAYWQA-UHFFFAOYSA-N 322.291 -0.142 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1cccs1 273552758 ZAWXEHBEXIPLRH-SFYZADRCSA-N 319.408 -0.063 50 20 DBGD O=C(CN1CCCS1(=O)=O)NNc1nnc(C2CC2)s1 273655401 ZHNJFJYTRCMXFZ-UHFFFAOYSA-N 317.396 -0.106 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F 274046358 HKQWUXQUELMRRJ-UHFFFAOYSA-N 318.255 -0.249 50 20 DBGD CC(C)(C(=O)NNc1cc(Cl)nc(N)n1)S(C)(=O)=O 274898884 FTZDEZUKDFRNDF-UHFFFAOYSA-N 307.763 -0.022 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)OCC(F)(F)F 491343396 ZMSQTAKRMONDJT-UHFFFAOYSA-N 323.231 -0.232 50 20 DBGD COC(=O)NNC(=O)c1cccc(C(=O)NNC(=O)OC)c1 495409466 YWKBGBFYCRLFJB-UHFFFAOYSA-N 310.266 -0.312 50 20 DBGD CN(C)CCCN(CCC#N)C(=O)c1cccc(B(O)O)c1 584934014 NOMAVKXAMQORTN-UHFFFAOYSA-N 303.171 -0.326 50 20 DBGD C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc(B(O)O)c1 584949712 UGQXRHZCDZPPCR-NXEZZACHSA-N 311.168 -0.986 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCC[C@]2(CCCNC2=O)C1 584975444 DLBAKDWSHJUZEM-MRXNPFEDSA-N 316.166 -0.501 50 20 DBGD Cc1nc(C)n(C2CN(C(=O)c3ccc(B(O)O)cc3)C2)n1 584986399 YKAGOIUXWIVPAM-UHFFFAOYSA-N 300.127 -0.728 50 20 DBGD Cc1cc2c(cc1S(=O)(=O)N1CC[C@@H](B(O)O)C1)OCO2 585055529 AOSDHXJTRMLYPV-SECBINFHSA-N 313.140 -0.039 50 20 DBGD O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CC[C@H](B(O)O)C1 585060466 DOYIJNLFCUNCSY-ZETCQYMHSA-N 311.128 -0.494 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cc1cccnc1 728982077 PFYPDMQXAZPRGS-UHFFFAOYSA-N 302.290 -0.206 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)Cn1cccnc1=O 737922874 DIHOHSHMWFLIJF-UHFFFAOYSA-N 316.317 -0.393 50 20 DBGD Cc1cccnc1C(=O)NNC(=O)Cn1cnc([N+](=O)[O-])n1 752240990 QYWGQYIIOPCSSK-UHFFFAOYSA-N 305.254 -0.649 50 20 DBGD O=C1C[C@@H](C(=O)NNC(=O)CCc2ccccc2O)CCN1 754467984 ZOEUWGCHXUAHDG-NSHDSACASA-N 305.334 -0.002 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 761796620 ZKMGXRLTMCTOGF-AXFHLTTASA-N 310.354 -0.447 50 20 DBGD CC(C)(C)OC(=O)NCCOCC(=O)NNC(=O)C(C)(C)O 768256514 QYCPRPXPSGTHSO-UHFFFAOYSA-N 319.358 -0.554 50 20 DBGD COC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCCCC1 771855377 ZFLWUOTUZLSXID-SNVBAGLBSA-N 318.395 -0.082 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnn2cccnc12 771921257 IRPCMQHEZVXCHR-MRVPVSSYSA-N 305.294 -0.168 50 20 DBGD CN(C)C(=O)CNC(=O)C(=O)NNc1ccccc1[N+](=O)[O-] 782713930 OWVIUCQBFYYJHH-UHFFFAOYSA-N 309.282 -0.758 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 799122466 NXWFYODSPIBQMG-UHFFFAOYSA-N 306.731 -0.439 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2CCCC23OCCO3)nn1 807046027 MXEPEPZZUSYEJT-QMMMGPOBSA-N 307.310 -0.438 50 20 DBGD CN1CCN(C(=O)NNC(=O)C2CCN(C3CC3)CC2)CC1 807380367 VCBDNILGLJCOLL-UHFFFAOYSA-N 309.414 -0.151 50 20 DBGD CCn1nncc1C(=O)NNC(=O)COc1ccccc1O 815509289 BDFCRSAQTUKHLV-UHFFFAOYSA-N 305.294 -0.156 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 822419211 NIFGMZGWKOJNKG-UHFFFAOYSA-N 301.270 -0.699 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC(CC(N)=O)CC1 825760899 DKFYNQXHXLSPKY-KOLCDFICSA-N 312.370 -0.260 50 20 DBGD CN(C)S(=O)(=O)NCC(=O)NNc1c(F)cccc1F 830781661 HPTRNBFYZHWUGO-UHFFFAOYSA-N 308.310 -0.196 50 20 DBGD O=C(NNC(=O)[C@H]1CCCCO1)N[C@@H]1CNCCC1(F)F 842002505 FTGWVQNBKXOJBN-RKDXNWHRSA-N 306.313 -0.117 50 20 DBGD CO[C@H](CS(=O)(=O)NNC(=O)C(=O)NC(C)C)C(C)C 842575103 BGGWEOYONZHLRZ-SECBINFHSA-N 309.388 -0.867 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccnn1CC1CC1 853303404 MRNNLCFSAMRYFD-VIFPVBQESA-N 313.383 -0.319 50 20 DBGD COCCCNC(=S)N(C)NC(=O)[C@@H]1CCN(C)C1=O 854283607 CJSOQEVPPJZSMX-VIFPVBQESA-N 302.400 -0.661 50 20 DBGD COC(C)(C)C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 858250807 HFGAHKSLHGPLDJ-IUCAKERBSA-N 300.359 -0.201 50 20 DBGD CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858696335 KDEDIATYHNEFOB-DTWKUNHWSA-N 314.342 -0.817 50 20 DBGD CCc1noc(CC)c1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862455292 FBZXYFHDDSYKRZ-SNVBAGLBSA-N 308.338 -0.232 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC2(CC1)OCCO2 863870179 ZDTJXHFQJKYEEE-UHFFFAOYSA-N 309.102 -0.515 50 20 DBGD CC(C)(C)OC(=O)CCNC(=O)c1cc(B(O)O)ccc1F 863874064 ONSSRSYFBZCTQW-UHFFFAOYSA-N 311.118 -0.033 50 20 DBGD CN(C)C(=O)O[C@H]1CCCN(C(=O)c2cccc(B(O)O)c2)C1 863883760 LVIPRFWTZUZWLN-ZDUSSCGKSA-N 320.154 -0.331 50 20 DBGD CCCNC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 921038256 NHKGSSUHTFQDDO-SNVBAGLBSA-N 320.415 -0.212 50 20 DBGD CCOCCOCCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 927534830 RRJNSFYSGFPCMW-QWRGUYRKSA-N 303.359 -0.205 50 20 DBGD Cc1nn(C)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 1251824740 OSAXZIRMXPVUHB-UHFFFAOYSA-N 305.294 -0.487 50 20 DBGD CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CO)c1C 1320358409 UEPVQWWCVXMQMA-UHFFFAOYSA-N 308.294 -0.968 50 20 DBGD CN(C)Cc1ccsc1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329529026 CWGYZFUGOTZMQZ-VIFPVBQESA-N 310.379 -0.151 50 20 DBGD CNC(=S)N(C)NC(=O)c1cn(Cc2ccccn2)nn1 1330864261 XUYCIXLWGCVOJZ-UHFFFAOYSA-N 305.367 -0.198 50 20 DBGD COC(=O)COCC(=O)NNC(=O)c1cccc(Cl)n1 1335059980 MWKCMZVBMNUYRE-UHFFFAOYSA-N 301.686 -0.314 50 20 DBGD O=C1N[C@H](C(F)(F)F)CC[C@H]1C(=O)N1CC[C@H](B(O)O)C1 1335432968 PDEJPYWTNFRJOG-RNJXMRFFSA-N 308.065 -0.481 50 20 DBGD C[C@@H]1C[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CCN1 1579467043 BECHHVKSANLOGA-UTUOFQBUSA-N 303.428 -0.133 50 20 DBGD O=C(C[C@H]1CC(=O)NC1=O)NNc1ccc(-c2nn[nH]n2)cc1 1581964681 FSFHFNCMNOIDPR-MRVPVSSYSA-N 315.293 -0.637 50 20 DBGD CC(=O)N[C@@H](CSCC(=O)NNC(=O)C(C)C)C(=O)O 1589157003 FEWSJALMVWGBLZ-QMMMGPOBSA-N 305.356 -0.888 50 20 DBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CC[C@H]1C(=O)O 1594698054 ZLDAMGKNVIODKM-NXEZZACHSA-N 320.305 -0.930 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNS(=O)(=O)c2c[nH]c(C(=O)O)c2)O1 1599906543 BQXHBJVDRFHPDR-RCOVLWMOSA-N 317.323 -0.410 50 20 DBGD Cc1ccc(C(=O)O)cc1NC(=O)C(=O)NNC(=O)CN(C)C 1600352270 XPKCUJPGCDFNPB-UHFFFAOYSA-N 322.321 -0.659 50 20 DBGD O=C(O)CC1CC(=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1601941061 QRPPJLWLXHLFMY-BRFYHDHCSA-N 303.340 -0.287 50 20 DBGD O=C(O)COc1ccc(C(=O)NNC(=O)c2ncon2)cc1 1602081301 WDAWSOWUNJLBOA-UHFFFAOYSA-N 306.234 -0.392 50 20 DBGD O=C(O)CC1(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)CCC1 1606071515 FMMHIGNLANSVTH-SECBINFHSA-N 321.337 -0.367 50 20 DBGD COC(=O)C[C@@H](NS(=O)(=O)CBr)C(=O)O 1606442011 JQLNTVDKPSIEBO-SCSAIBSYSA-N 304.118 -0.726 50 20 DBGD CC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1795436425 NQAYYUSLDPOXII-VLEAKVRGSA-N 302.758 -0.187 50 20 DBGD CC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796782076 MWBBEEQUTGDGIZ-ROHXPCBUSA-N 316.833 -0.072 50 20 DBGD NCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845217191 KVCADCBFKPWGDI-MRVPVSSYSA-N 308.151 -0.161 50 20 DBGD CNC(=O)C1(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 68512074 WAOQDPBWPPACFW-UHFFFAOYSA-N 319.317 -0.255 50 20 DBGD COc1ccc(NNC(=O)C(C)(C)NS(C)(=O)=O)nc1 275526838 JRYPKLIHXMACQA-UHFFFAOYSA-N 302.356 -0.139 50 20 DBGD CC(=O)N(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 281352761 VPNWOWWIQNAFHT-UHFFFAOYSA-N 320.349 -0.132 50 20 DBGD C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)O1 292993758 ISRLLQKVWCOVGK-CABZTGNLSA-N 316.321 -0.009 50 20 DBGD CCOC(=O)N1CCCN(CC(=O)NNC(=O)C(C)C)CC1 496787665 VOJBMDXPSVPTRX-UHFFFAOYSA-N 314.386 -0.046 50 20 DBGD CCN(C)C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584955223 SJPRTXFVLSMBLT-NSHDSACASA-N 308.162 -0.081 50 20 DBGD CC[C@H](C)[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C(=O)N(C)C 584981505 HBJIBXQOKXNAQS-ZANVPECISA-N 324.161 -0.262 50 20 DBGD COCCN(Cc1ncc[nH]1)C(=O)c1ccc(B(O)O)cc1 584982220 FVSHVXVXOZSWTB-UHFFFAOYSA-N 303.127 -0.622 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)CN(C)C(=O)O)C[C@@H](C)O1 736813177 ZRMBBGLTCDCBBU-NXEZZACHSA-N 316.358 -0.757 50 20 DBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)NCC1CC1 748717203 ASFNESSDKSFSEN-UHFFFAOYSA-N 309.282 -0.503 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CS(C)(=O)=O 753260303 FDJPRHZXLWUSFB-ZETCQYMHSA-N 323.371 -0.908 50 20 DBGD C#CCOCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O 753384155 QEOONPDEDFYRIR-UHFFFAOYSA-N 322.277 -0.106 50 20 DBGD C[C@@H]1CN(C2CC2)CC1=NNC(=O)[C@@H](C)NS(C)(=O)=O 755889145 KSZQFVLPULHNFR-RKDXNWHRSA-N 302.400 -0.490 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)C1CCCC1 758043047 DMPNSJVHANMBON-BDAKNGLRSA-N 305.400 -0.102 50 20 DBGD CN(C)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)CO 764421109 FWYHHFOUJHCWAU-UHFFFAOYSA-N 314.729 -0.516 50 20 DBGD CO[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 769715185 MEKBEZSVSVQBMP-JTQLQIEISA-N 324.337 -0.139 50 20 DBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1cc(C)nn1C 789004062 NCSYAALCJIVEOB-SECBINFHSA-N 301.372 -0.494 50 20 DBGD CNS(=O)(=O)NCC(=O)NNc1ccc([N+](=O)[O-])cc1C 805374540 RYLPMJVVWREQSN-UHFFFAOYSA-N 317.327 -0.600 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)c2cnn(C)n2)c1 806364986 LWKXCRQLLLJYQO-UHFFFAOYSA-N 304.310 -0.303 50 20 DBGD COCCN(C)NC(=O)Cn1c(=O)nc(O)c2ccccc21 816562746 XOWFFQIROWFZSZ-UHFFFAOYSA-N 306.322 -0.289 50 20 DBGD CON(C)C(=O)CNC(=O)NNC(=O)CCc1ccccc1 817793345 HBIKMWBJPHCYFI-UHFFFAOYSA-N 308.338 -0.031 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 823993132 LQQDXQVMYYBPPR-SDDRHHMPSA-N 311.382 -0.105 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N1CCC2(CC1)OCCO2 827266186 AVEDPVBXWNPNPX-MNOVXSKESA-N 313.354 -0.009 50 20 DBGD COCCO[C@@H]1CCN(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)C1 827274022 LGNULQCSDLOQKQ-UTUOFQBUSA-N 315.370 -0.111 50 20 DBGD O=C(C(=O)N1CCN(S(=O)(=O)CCl)CC1)N1CCCC1 830037121 LKUHOZQKJGUZLF-UHFFFAOYSA-N 323.802 -0.721 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCO[C@H]1C 843641364 BUZOTJKSMZXLHC-GUBZILKMSA-N 321.399 -0.867 50 20 DBGD CCC(C#N)(CC)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 858750598 ZQZVRARAQUAZRI-VIFPVBQESA-N 316.383 -0.166 50 20 DBGD O=C(CN1Cc2ccccc2C1=O)NNC(=O)[C@@H]1CCC(=O)N1 862456579 ZLPFOBQQQFIZSF-NSHDSACASA-N 316.317 -0.932 50 20 DBGD Cc1cc(=NNC(=O)C2CCN(S(C)(=O)=O)CC2)cc[nH]1 862508988 BYSUVFJTDPXACK-UHFFFAOYSA-N 312.395 -0.073 50 20 DBGD COCCn1cc(C(=O)NNC(=O)Cc2ccncc2)cn1 866319988 GHIHFZOUKHTJKS-UHFFFAOYSA-N 303.322 -0.072 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCN1CCC[C@H]1C 897482818 FXRDCRUXKSBRCM-VXGBXAGGSA-N 316.402 -0.147 50 20 DBGD COC(=O)c1cnn(CC(=O)NNC(=S)NC(C)(C)C)c1 899999288 GTQJIEACLRAVIL-UHFFFAOYSA-N 313.383 -0.037 50 20 DBGD CCNS(=O)(=O)c1cccc(C(=O)NN(C)C[C@H](C)O)c1 910178630 NYYWOWUQFJLTRS-JTQLQIEISA-N 315.395 -0.058 50 20 DBGD CN(CCCNC(=O)NNC(=O)C(C)(C)C)S(C)(=O)=O 916580315 LYVHNYWSYIGEOM-UHFFFAOYSA-N 308.404 -0.356 50 20 DBGD COC[C@@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 933331405 DIBLJHYDGVZWFH-CYBMUJFWSA-N 307.350 -0.205 50 20 DBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3C[C@]34CCOC4)nc21 1116597421 HTBPQOZZXCLQFC-OQPBUACISA-N 304.310 -0.061 50 20 DBGD Cc1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1 1118141143 RVVXKBPULCTNGE-HTRCEHHLSA-N 312.351 -0.038 50 20 DBGD O=C(NCCS(=O)(=O)CC1CC1)NNC(=O)c1cn[nH]c1 1118805271 AHNYMFRFYDPPFW-UHFFFAOYSA-N 315.355 -0.822 50 20 DBGD CC(C)(O)C(=O)NNC(=O)Cc1ccn(CC(F)(F)F)n1 1262620054 QOSLPUGTJXLBBP-UHFFFAOYSA-N 308.260 -0.094 50 20 DBGD CCOCC(=O)NNC(=O)NCCCCN1CCN(C)CC1 1318667050 BGSPEHZLCNMZMY-UHFFFAOYSA-N 315.418 -0.619 50 20 DBGD O=C(NNC(=S)NC[C@H]1CCOC1)C(=O)N1CCCC1 1319391689 SLAPYQYBCJJXEF-SECBINFHSA-N 300.384 -0.859 50 20 DBGD O=C(NN=Cc1cnc2ncccn12)[C@H]1CCS(=O)(=O)C1 1324430233 YOWVKIWGFCZJJJ-VIFPVBQESA-N 307.335 -0.386 50 20 DBGD Cc1nc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)s1 1331834203 PDCXYUMDMYLEJD-ZETCQYMHSA-N 318.380 -0.652 50 20 DBGD O=C(NNc1cccnn1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 1338498127 GIOIOFOOLWIJRT-RYUDHWBXSA-N 314.305 -0.110 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCCCC#N 1342333453 VLEQPEUGPDODLO-VIFPVBQESA-N 304.372 -0.454 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCc1ccn(C)n1 1342482571 VNVBUPSZBJOBMB-SNVBAGLBSA-N 313.358 -0.656 50 20 DBGD Cn1cncc1CNC(=O)NNC(=O)CNC(=O)c1ccco1 1348616074 FVOTXECTWCROJB-UHFFFAOYSA-N 320.309 -0.727 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@H]2[C@H]3CCNC[C@H]32)c1 1575029163 JRTIEBSUOVZJEA-XQQFMLRXSA-N 317.349 -0.344 50 20 DBGD NCC(=O)NNC(=O)c1ccncc1NC(=O)C(F)(F)F 1580212875 FAPLUDNOOKUWNF-UHFFFAOYSA-N 305.216 -0.698 50 20 DBGD O=[N+]([O-])c1ccc(N2CC[C@H](B(O)O)C2)c(-c2nn[nH]n2)c1 1593475987 HTNWLDBBYANIIH-ZETCQYMHSA-N 304.075 -0.172 50 20 DBGD O=C(NCc1ncc(C(F)(F)F)cn1)NNC(=O)C(=O)O 1601549846 FWDRVSKVPHADQZ-UHFFFAOYSA-N 307.188 -0.590 50 20 DBGD C=C[C@@H](NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC 1602802747 AXLFXODYYGHFEG-SNVBAGLBSA-N 302.294 -0.171 50 20 DBGD O=C(NCc1ccc(N2CCNC2=O)cc1)NNC(=O)C(=O)O 1608467823 JPIUBVHGTNYYPB-UHFFFAOYSA-N 321.293 -0.869 50 20 DBGD CO[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)[C@H](C(=O)O)C1 1610236149 AXYAMFUGJGUEAT-UWVGGRQHSA-N 315.370 -0.256 50 20 DBGD CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722551 CPBBNLGHGKRTBQ-DGCLKSJQSA-N 320.773 -0.938 50 20 DBGD CN(C)CCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1842820533 FKYCYOFQVUMNFA-NSHDSACASA-N 317.817 -0.259 50 20 DBGD COc1cccc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCCO2)c1 46595059 AZHSDEOQLROVKY-LBPRGKRZSA-N 321.333 -0.249 50 20 DBGD COCCN(CC(=O)NNC(=O)c1ccccc1)[C@H](C)C(N)=O 272042113 DMUIYCLIQINYFY-LLVKDONJSA-N 322.365 -0.730 50 20 DBGD Cc1cc(NNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)ncn1 375958634 CYLDLVXVYNYMSA-CQSZACIVSA-N 318.337 -0.051 50 20 DBGD O=C(NCc1nncn1C1CC1)c1cc(B(O)O)ccc1F 584942023 PRKAVGSJAWQICE-UHFFFAOYSA-N 304.090 -0.638 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](O)[C@@]12CCSC2 585007949 DGAGVWNIGARUOF-OCCSQVGLSA-N 307.180 -0.551 50 20 DBGD CCc1nn(C)c(OC)c1CNCc1ccc(B(O)O)cc1 585035041 PBTASVGMBFJGGN-UHFFFAOYSA-N 303.171 -0.039 50 20 DBGD C=CCCO[C@H](C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276298 BSVZDSBOXKGYQU-DTWKUNHWSA-N 307.372 -0.947 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)COc1ccccc1O 730781406 LSFFSRFUIDNLQJ-SECBINFHSA-N 309.322 -0.167 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732259989 MZLDJUHJJYVWCN-BETUJISGSA-N 314.430 -0.027 50 20 DBGD COC(=O)c1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 747631723 VMQICLKXKKYQCA-ZETCQYMHSA-N 316.339 -0.811 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nc(C)n2C 764301363 BPMMPPZIKJPCSQ-UHFFFAOYSA-N 319.321 -0.386 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)sc1C 770106181 XTEWKGFEKZOFJM-MRVPVSSYSA-N 317.392 -0.044 50 20 DBGD COCCc1ccccc1NC(=O)C(=O)NNC(=O)COC 786417644 UVEKYRGRQNUTMH-UHFFFAOYSA-N 309.322 -0.392 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)CCN1CCOC1=O 807368369 CPUZYGXDHPEPIQ-UHFFFAOYSA-N 317.342 -0.235 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 810112344 QXOOYNGXJDUGHX-KXUCPTDWSA-N 305.400 -0.560 50 20 DBGD O=C(NNC(=S)NCCc1cccs1)[C@@]1(O)CCOC1 820165747 YHVKGQXMVCUUMT-GFCCVEGCSA-N 315.420 -0.063 50 20 DBGD O=C(O)C[C@H]1CCCN1C(=O)NNC(=O)[C@H]1COCCO1 833210810 XPXOHYYGFVTKQX-RKDXNWHRSA-N 301.299 -0.918 50 20 DBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CCNC1=O 854216639 BQFGGZPVHYNESF-BDAKNGLRSA-N 309.297 -0.124 50 20 DBGD CNC(=S)N(C)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 854923806 JPUHNMGGQCLFGS-UHFFFAOYSA-N 316.408 -0.656 50 20 DBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ncc(Cl)cn1 857356872 YFMCDOWOICARHW-UHFFFAOYSA-N 307.763 -0.099 50 20 DBGD CN1C(=O)CN(CC(=O)NNc2ccccc2[N+](=O)[O-])C1=O 858105546 QKFLZDKAONONBC-UHFFFAOYSA-N 307.266 -0.068 50 20 DBGD COc1c(C(=O)NNC(=O)[C@H]2CCC(=O)N2)cccc1[N+](=O)[O-] 862459118 MYOGDQYLVXXRCM-MRVPVSSYSA-N 322.277 -0.357 50 20 DBGD O=C(N[C@H]1CCN2CCC[C@H]2C1)c1cc(B(O)O)ccc1F 864906567 PJBROXMXPGLZIT-RYUDHWBXSA-N 306.146 -0.138 50 20 DBGD Cn1c(C=NNC(=O)C(C)(C)C)nc2c1c(O)nc(=O)n2C 920374327 ZBMLAXOZLXHWBK-UHFFFAOYSA-N 306.326 -0.131 50 20 DBGD NC(=O)N[C@H](CO)C(=O)NNC(=O)c1ccccc1Cl 1116419526 ALHLQGZPXMMZJA-MRVPVSSYSA-N 300.702 -0.870 50 20 DBGD CC(C)c1nccnc1NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1118757536 ILDALYRXZIFBQB-CKYFFXLPSA-N 308.338 -0.544 50 20 DBGD CCC1(Cn2cc(C(=O)NNC(=O)NC3CC3)nn2)COC1 1261674708 GTZYKIXCTJLOCW-UHFFFAOYSA-N 308.342 -0.189 50 20 DBGD O=C(NNC(=O)[C@H]1CCSC1)N[C@H]1CCS(=O)(=O)C1 1319157416 ONZSNTIYRRFIKI-YUMQZZPRSA-N 307.397 -0.743 50 20 DBGD COC(=O)C(=O)NN=C1C(=O)N(C)c2cc(N(C)C)ccc21 1320776898 OEIZDJPUPCPBNM-UHFFFAOYSA-N 304.306 -0.278 50 20 DBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)[C@H]1CCO[C@H]1C 1326005423 JXLKZJGFZFZYGM-GUBZILKMSA-N 321.399 -0.435 50 20 DBGD CC(=O)NCc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 1329530202 MDNVLSRLGIOVCK-LBPRGKRZSA-N 318.333 -0.638 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](B(O)O)C2)s1 1331828075 VFFFBOUIYRKOGZ-SSDOTTSWSA-N 318.185 -0.987 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 1335082875 FPQVGZCLBATIRR-WCBMZHEXSA-N 312.370 -0.647 50 20 DBGD Cn1cc(C(=O)NNC(=O)CN2CCCC2=O)c(C2CC2)n1 1350837125 XCWJGWSUQQXZRU-UHFFFAOYSA-N 305.338 -0.319 50 20 DBGD COc1ccc(NC(=S)NNC(=O)C[C@@H](O)CN)cc1F 1579227875 IKRXGQWNVXSHDS-MRVPVSSYSA-N 316.358 -0.138 50 20 DBGD Cc1ccc(NCC(=O)NNC(=O)C2=NOC3(CNC3)C2)cc1 1579724434 ZXLOJCNYXTYXIL-UHFFFAOYSA-N 317.349 -0.327 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)CN2CCNCC2)cc1C 1579727500 NHWHRIQKQJRRLA-UHFFFAOYSA-N 320.393 -0.265 50 20 DBGD Cc1cccc2c1C[C@@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N2 1579776677 PHSYMWNQCBAEFI-NEPJUHHUSA-N 302.334 -0.242 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C(=O)O 1600341528 LSFOYIIXTYOKFX-JTQLQIEISA-N 305.290 -0.267 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ncco2)cc1 1601636275 YHPIQDZKDJLGEA-UHFFFAOYSA-N 318.245 -0.488 50 20 DBGD Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)NNc1ncccn1 1605510195 NMESREONWUEDPJ-UHFFFAOYSA-N 313.281 -0.177 50 20 DBGD CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 48644249 HFGOMONDVZUOCL-UHFFFAOYSA-N 300.340 -0.489 50 20 DBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccccc1OC 270399036 DWMSJKVBIXXPSY-UHFFFAOYSA-N 309.322 -0.439 50 20 DBGD CO[C@H]1COC[C@@H]1NC(=O)NNc1ccc(-n2cccn2)nn1 291587104 ZJOPIPNCNIDZBP-UWVGGRQHSA-N 319.325 -0.298 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CC2CC2)cn1 294034127 DHXPPSHRXVQAPB-UHFFFAOYSA-N 312.351 -0.449 50 20 DBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNC(=O)[C@@H]1CCCO1 294647498 MPXCVAMNZVHKCZ-LBPRGKRZSA-N 321.333 -0.623 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1ncccn1 298288049 OKRNSQWUBNKKSF-FSZOTQKASA-N 313.317 -0.273 50 20 DBGD CC(=O)N[C@H](C)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 495311091 BBNVMVFKOQYDPJ-MRVPVSSYSA-N 316.358 -0.427 50 20 DBGD COCCN(C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCSC1 584941346 BFPZVBIOCHUWAB-CYBMUJFWSA-N 309.196 -0.040 50 20 DBGD O=C(NCCOC[C@@H]1CCCO1)c1ccc(B(O)O)c(F)c1 584947204 IUFYPLOCNBGMNQ-NSHDSACASA-N 311.118 -0.569 50 20 DBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)CCS1(=O)=O 584984021 WCUSXYBRKBPCMF-JTQLQIEISA-N 311.168 -0.984 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1C[C@H]2C[C@H](O)CC[C@H]2C1 584999508 CAHZSOIZEHWEEV-QJPTWQEYSA-N 307.130 -0.262 50 20 DBGD CC(C)[C@H](NCc1ccccc1B(O)O)C(=O)N1CCOCC1 585025792 CTNDJKFHRKDLIT-HNNXBMFYSA-N 320.198 -0.661 50 20 DBGD O=C(NNC(=O)[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 728383873 FPAXADWDLYZSJP-YUMQZZPRSA-N 324.449 -0.583 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)Cc2nc3ncccn3n2)c1 728825153 JEWNZYVVCZNMSQ-UHFFFAOYSA-N 321.300 0.000 50 20 DBGD C[C@@H]1CC[C@H](CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)O1 743289715 BDDMYWSEHGFOMJ-GMTAPVOTSA-N 318.395 -0.084 50 20 DBGD CCCCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758029006 HSMZJTICVPWBOE-BDAKNGLRSA-N 309.388 -0.723 50 20 DBGD CN(C)c1cccc(C(=O)NNC(=O)c2nnc(O)nc2O)c1 765466366 SIJITZJFWONYAL-UHFFFAOYSA-N 318.293 -0.576 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)nc1 769738397 KSHTWWOIJMOVOW-UHFFFAOYSA-N 309.307 -0.868 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2CC(=O)C2)c1 769803003 JWSCCVYBJWYPJS-UHFFFAOYSA-N 315.285 -0.158 50 20 DBGD CC(C)[C@@]1(C)C[C@@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 776139323 QEAABXCDKDXZPX-YGOYTEALSA-N 305.400 -0.246 50 20 DBGD CCNC(=O)NNC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C 813423843 AMKKYFJSPZYXHW-LLVKDONJSA-N 324.385 -0.167 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C 813485196 KISWTPIJVFIWQK-ZDUSSCGKSA-N 321.377 -0.182 50 20 DBGD Cn1cnn(CCC(=O)NNC(=O)c2cccc(C#N)c2)c1=O 815399462 YEHSPURIFKVWSH-UHFFFAOYSA-N 314.305 -0.695 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)c1ccc(F)cc1 833121400 SRLDPPVUCWWJEM-UHFFFAOYSA-N 307.241 -0.423 50 20 DBGD COCCN1C[C@H](C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)CC1=O 843648544 XWAMURAZXGOBNK-HBNTYKKESA-N 313.354 -0.946 50 20 DBGD NS(=O)(=O)C1(C(=O)NNc2ncnc3ccsc23)CC1 845830971 UFZSQNSGJRTCPQ-UHFFFAOYSA-N 313.364 -0.045 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C 854921737 YXGGEZBFHHWZQR-SECBINFHSA-N 322.456 -0.440 50 20 DBGD CNC(=S)N(C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 854925692 LIVJPAUZJPTFAI-UHFFFAOYSA-N 300.344 -0.006 50 20 DBGD CNC(=S)N(C)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 854929708 OWQLLORIEZURPO-MPKXCIJOSA-N 322.390 -0.739 50 20 DBGD COc1cc(C#N)ccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860940570 DQOQTTWQFFQTMU-JTQLQIEISA-N 317.305 -0.002 50 20 DBGD COC(=O)c1cccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c1 864231233 KYLVPOJITCJGEJ-JTQLQIEISA-N 313.140 -0.289 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CN1CSCCSC1 900007216 HSJRAWWLSRIUIQ-UHFFFAOYSA-N 320.440 -0.645 50 20 DBGD COCCn1cc(C(=O)NNC(=O)c2ccncc2)ccc1=O 917390560 UVDONGQSIGGZRF-UHFFFAOYSA-N 316.317 -0.036 50 20 DBGD COCCOCC(=O)OCC(=O)NNC(=O)c1cccs1 919224301 JPEBQFMPUVYFGU-UHFFFAOYSA-N 316.335 -0.285 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1 1116127135 RWXUWUFAKQXPCQ-UHFFFAOYSA-N 306.322 -0.668 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCCC1(C)OCCO1 1261453825 QFBKUTANCYMTLD-NXEZZACHSA-N 301.343 -0.105 50 20 DBGD CC(C)NC(=S)NNC(=O)c1ccc(S(N)(=O)=O)o1 1317924468 IKXDIZHADVTOPZ-UHFFFAOYSA-N 306.369 -0.556 50 20 DBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1cnn(C)c1)CC2 1318625638 FTJLSAFNBHLXDD-SNVBAGLBSA-N 318.341 -0.721 50 20 DBGD CCOC(=O)c1cnn2c(C(=O)NN(C)C(N)=O)ccnc12 1319890949 CVERIZJFSYPVNN-UHFFFAOYSA-N 306.282 -0.439 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCSC1)C(=O)Nc1ccccn1 1324640781 BTSABIMCNLSFTB-GFCCVEGCSA-N 310.335 -0.965 50 20 DBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CCCS1(=O)=O 1326811708 HGKACBRTXKELMP-SECBINFHSA-N 322.350 -0.317 50 20 DBGD CCN1C[C@@H](CNC(=O)NNC(=O)N=c2cc[nH]cc2)CC1=O 1327278078 DSDUEHKCGFTZQO-SNVBAGLBSA-N 320.353 -0.292 50 20 DBGD CN(CCc1nccs1)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1329192199 RMUPQXLXRHXEQZ-MRVPVSSYSA-N 311.367 -0.363 50 20 DBGD N#Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)cc1 1337974298 LJIAIFKJRAZTRL-UHFFFAOYSA-N 312.289 -0.390 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C[C@@H]1CCCS(=O)(=O)C1 1349433816 SCVWBEUAQMPLQA-GARJFASQSA-N 318.395 -0.226 50 20 DBGD COc1cc(C(=O)NNC(=O)C2(O)CNC2)ccc1OC(C)C 1579142426 UORJQPRYHHBYIC-UHFFFAOYSA-N 323.349 -0.422 50 20 DBGD Cc1ccccc1[C@@H](N)C(=O)NNC(=O)N1CCN(C)CC1 1579793327 HLGJYZLBHNOCMY-CYBMUJFWSA-N 305.382 -0.017 50 20 DBGD N[C@H]1C[C@H](CNC(=O)NNC(=O)COc2ccccc2O)C1 1580427738 OLOWGHPDODUKMH-MGCOHNPYSA-N 308.338 -0.161 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@@H]1COCCO1)CC(=O)O 1590726484 MCILLNHNAKSIRI-QMMMGPOBSA-N 303.315 -0.767 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN[C@@]2(C(=O)O)CCOC2)cc1 1600341079 LYGUKFZWCPIJPY-HNNXBMFYSA-N 321.333 -0.411 50 20 DBGD Cn1nc(C(=O)O)cc1NC(=O)NNC(=O)c1ccncc1 1601004900 MQXGSCOJWDQQPS-UHFFFAOYSA-N 304.266 -0.020 50 20 DBGD O=C(NCC[C@H]1COc2ccccc2O1)NNC(=O)C(=O)O 1601493798 YICJOKLAURBCKP-QMMMGPOBSA-N 309.278 -0.369 50 20 DBGD CC(=O)C1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 1602912948 ZHMIPNRLPPWPPF-UHFFFAOYSA-N 314.305 -0.003 50 20 DBGD O=C(Cc1cccc(F)c1)NCC(=O)NNC(=O)NC1CC1 64427552 SNXKJNGSTRFFRH-UHFFFAOYSA-N 308.313 -0.023 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CC(C)(C)O)CC1 111218060 KOZCDPXHEASPLU-LLVKDONJSA-N 300.403 -0.679 50 20 DBGD CNC(=O)C1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 121655339 ONSRRVVDMNDHNW-UHFFFAOYSA-N 318.377 -0.094 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H](NC(=O)OC)C(C)C 264474942 OPZVGMODAGNBKT-VIFPVBQESA-N 304.347 -0.266 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(CCOC)C1 281190788 KDZONEOOPUAXMH-VIFPVBQESA-N 300.384 -0.837 50 20 DBGD CC1=C(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)SCCO1 289275748 XJLKEDFDMZSHHX-LURJTMIESA-N 323.396 -0.934 50 20 DBGD CN(C)C(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 299399174 VEKBQYZKJCAERQ-LLVKDONJSA-N 318.337 -0.591 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)N1CCOCC1 490832471 XGWPDZIMPPMDMD-UHFFFAOYSA-N 316.358 -0.026 50 20 DBGD C[C@@H]1[C@@H](C(=O)NNC(=O)CO)CCN1C(=O)OC(C)(C)C 492696155 MIYLJMZOBCOCNC-BDAKNGLRSA-N 301.343 -0.228 50 20 DBGD C[C@H]1[C@H](C(=O)NNC(=O)CO)CCN1C(=O)OC(C)(C)C 492696156 MIYLJMZOBCOCNC-DTWKUNHWSA-N 301.343 -0.228 50 20 DBGD COC(=O)C[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 494740973 BAPRMWKNSZVVPI-QMMMGPOBSA-N 317.342 -0.142 50 20 DBGD O=C(CN(C(=O)c1cc(B(O)O)ccc1F)C1CC1)NC1CC1 584939909 MZZSVTSJWHTWLW-UHFFFAOYSA-N 320.129 -0.611 50 20 DBGD CC(C)(O)CSCCNC(=O)c1cc(B(O)O)ccc1F 584947800 BNUKUKGJRZWROQ-UHFFFAOYSA-N 315.175 -0.261 50 20 DBGD CN1CCC[C@@H]2CN(C(=O)c3cccc(B(O)O)c3)CC[C@@H]21 584963662 WSQLQSJJXBQXPT-HIFRSBDPSA-N 302.183 -0.077 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 584986158 BTPHMHJUUKSIKU-OWWTVDFTSA-N 305.114 -0.653 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@H]1CCCO1 729275521 PCFKSUUTYZRKQF-DTWKUNHWSA-N 307.372 -0.969 50 20 DBGD O=C(NN=Cc1ccc(O)c(O)c1O)[C@@H]1CCS(=O)(=O)C1 730575373 BSERCGMGHXQADC-MRVPVSSYSA-N 314.319 -0.312 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730589927 YDIGYPUQFLIBCI-UHFFFAOYSA-N 306.326 -0.345 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@@]1(N(C)C)CCSC1 748646161 IGMSGPMTIMTZTE-LBPRGKRZSA-N 304.416 -0.209 50 20 DBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccnc2)co1 755381391 MAWUQTPNLGSMPC-UHFFFAOYSA-N 324.318 -0.343 50 20 DBGD C[C@@H]1C(=O)N(C)CCN1CC(=O)NNC(=O)c1cccs1 778257394 HXUBGNXNJKSYJC-SECBINFHSA-N 310.379 -0.328 50 20 DBGD O=C(CN1CC[C@@](F)(CO)C1)NNC(=O)c1ccc(F)cc1 802012037 HJHQQOIGVGGXSY-AWEZNQCLSA-N 313.304 -0.007 50 20 DBGD CC(C)C[C@@H]1C[C@H]1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 825731803 KKTNDUNLNOFHAI-IVZWLZJFSA-N 305.400 -0.246 50 20 DBGD O=C(O)C[C@@H]1CCCN1C(=O)NNC(=O)[C@@H]1COCCO1 833210809 XPXOHYYGFVTKQX-IUCAKERBSA-N 301.299 -0.918 50 20 DBGD CC(=O)NNC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C 845072576 JZHGBDPVCUXRCY-SNVBAGLBSA-N 302.375 -0.001 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)C[C@@H]1COCCO1 852394276 OTJLTTFKJMHDKU-AXFHLTTASA-N 301.343 -0.501 50 20 DBGD CCc1cccc(OCC(=O)NNC(=O)CS(C)(=O)=O)c1 863457012 BPAWOMMCOQODOB-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)CS(C)(=O)=O 863465761 FLULGVSHCVCFMC-ZJUUUORDSA-N 308.400 -0.244 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)/C=C2\SCC(=O)N2C)n1 873803333 BZDAHRWAILTAKS-ACAGNQJTSA-N 323.378 -0.306 50 20 DBGD COc1cccc(C(=O)NNC(=O)CS(C)(=O)=O)c1O 919756749 SPKIUHAOCUVPLV-UHFFFAOYSA-N 302.308 -0.794 50 20 DBGD COc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1CCC(=O)N1 1261825851 UKOYUESQBRSMRW-SECBINFHSA-N 320.305 -0.940 50 20 DBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)COc1ccccc1O 1262596408 DMIHCBIQIMSJIQ-LLVKDONJSA-N 323.349 -0.361 50 20 DBGD Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)C(=O)NC1CC1 1319012684 SMOWOVLPFOEOCW-ZETCQYMHSA-N 323.353 -0.169 50 20 DBGD COC(=O)N1CCC(NC(=O)NNC(=O)c2cnn(C)c2)CC1 1320936532 DTLBWRLRJKNBCH-UHFFFAOYSA-N 324.341 -0.405 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc(-n2nccn2)nc1 1321139887 AJQSEFZFTQJPJM-UHFFFAOYSA-N 315.293 -0.842 50 20 DBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)nn1C 1325745181 VBZNOMROEHBZSV-UHFFFAOYSA-N 321.293 -0.787 50 20 DBGD COC(=O)CCn1nc(C)c(C=NNC(=O)C(=O)OC)c1C 1339878732 DONKSSHFXWQFTQ-UHFFFAOYSA-N 310.310 -0.314 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)c1nnnn1C 1340508975 FSSBWIRHGPUXOA-QMMMGPOBSA-N 314.309 -0.213 50 20 DBGD C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CN2C1 1346387540 IEQZZHHBDAVLLK-UPJWGTAASA-N 322.409 -0.123 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)c1coc(S(N)(=O)=O)c1 1353872309 NPVLZKYKSXWARV-UHFFFAOYSA-N 320.396 -0.166 50 20 DBGD NCCCCCC(=O)NNC(=O)[C@@H]1COCCN1CC(F)F 1580292803 SJIIOARGFIHXSI-JTQLQIEISA-N 322.356 -0.381 50 20 DBGD Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccc[nH]1 1580465123 NGUFRGBOHQBCPV-UHFFFAOYSA-N 300.282 -0.094 50 20 DBGD O=C(CCNC(=O)c1ccc(F)cc1)NNC(=O)[C@H]1CCN1 1580537016 ZIWDXRFDBKJNNP-LLVKDONJSA-N 308.313 -0.545 50 20 DBGD C#CCCCC(=O)NNC(=O)Nc1nn(C)cc1-c1nn[nH]n1 1588340909 KZOJJJNSGQYBFC-UHFFFAOYSA-N 317.313 -0.444 50 20 DBGD COCC(=O)NNC(=O)Nc1cc(C)cc(-c2nn[nH]n2)c1 1591367590 XZYQBLQFIDZROX-UHFFFAOYSA-N 305.298 -0.026 50 20 DBGD O=C(NNC(=O)c1cnccc1-c1nn[nH]n1)c1ccccn1 1593159237 HVRHVJLZWOOPLU-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD O=C(O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F 1608530852 IZJCQXWOOCYXNA-UHFFFAOYSA-N 305.168 -0.726 50 20 DBGD CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1842763270 DHCWMHXQVOPBRO-UHFFFAOYSA-N 302.139 -0.797 50 20 DBGD CC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847110149 DQFXXZSSMMRXNX-SECBINFHSA-N 316.789 -0.125 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cn1 117821093 MXYUQVQJHHOUTD-UHFFFAOYSA-N 304.266 -0.015 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCC2 126412805 GKUHYGYBNZHDSL-UHFFFAOYSA-N 304.350 -0.177 50 20 DBGD CCN1CCN(CC(=O)NNc2cc(C)nc(C)n2)C(=O)C1=O 265501129 CLMKFUVDYWSNHS-UHFFFAOYSA-N 320.353 -0.773 50 20 DBGD C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NN 270185928 ARGXOATWVXFQLL-QMMMGPOBSA-N 315.351 -0.495 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1ccncc1 272558621 NFSRJCOBJFUEED-FPQZTECRSA-N 316.317 -0.313 50 20 DBGD COC(=O)C[C@@H](NS(=O)(=O)CBr)C(=O)OC 272791087 CKCJRPLCTJPSQZ-RXMQYKEDSA-N 318.145 -0.637 50 20 DBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNC(=O)C1CCC1 274191522 FIJNQQSZHFXEJJ-UHFFFAOYSA-N 305.334 -0.002 50 20 DBGD CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C(C)(C)O 276173295 BPJKYAFJDUGDFN-JTQLQIEISA-N 311.338 -0.048 50 20 DBGD COC(=O)NNS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 291969808 STJDHEABKZQDKN-UHFFFAOYSA-N 303.296 -0.274 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1COCCO1 299232479 QMTVMNIZNHBHGO-LBPRGKRZSA-N 310.306 -0.363 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCCN(S(C)(=O)=O)CC1 372758492 CFADFZRMCDQHFA-ZHACJKMWSA-N 301.368 -0.076 50 20 DBGD Cn1cncc1CC(=O)NNC(=O)CNC(=O)OC(C)(C)C 497017570 OYQMIKOCIBNIJE-UHFFFAOYSA-N 311.342 -0.365 50 20 DBGD NC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 584939770 YTYQSJNRDOLPLC-GFCCVEGCSA-N 305.143 -0.971 50 20 DBGD C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(B(O)O)c(F)c1 584945826 UPWUHFGSEJGYFM-ZDUSSCGKSA-N 320.129 -0.588 50 20 DBGD OB(O)c1ccc(CNC[C@@H]2CN3CCC[C@H]3CO2)c(F)c1 585021935 FVBBNBCPOJJQOM-UONOGXRCSA-N 308.162 -0.542 50 20 DBGD NS(=O)(=O)c1cccc(CNC(=O)NNc2cccnn2)c1 737036544 DJLRHWUIHZTBGR-UHFFFAOYSA-N 322.350 -0.050 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 739671660 YAMPOLGGUFREMF-AOOOYVTPSA-N 320.415 -0.646 50 20 DBGD CC(C)[C@@H](NC1CCOCC1)C(=O)NNC(=O)c1cnn(C)c1 743453777 LUIZCGBDHJOYDR-CYBMUJFWSA-N 323.397 -0.026 50 20 DBGD O=C(NNC(=O)[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 746103069 OHBLMMYBKFSBOU-WDEREUQCSA-N 312.347 -0.698 50 20 DBGD Cn1cc(C(=O)NNc2cccnc2Cl)c(=O)n(C)c1=O 754475446 KBZBDEPVXNCMNU-UHFFFAOYSA-N 309.713 -0.111 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C 764299629 JMIYDCDTJJJKIX-UHFFFAOYSA-N 322.365 -0.211 50 20 DBGD CCc1nc2cc(NC(=O)C(=O)NNC(=O)CO)ccc2o1 764422024 PLFPIQAEWFEXBH-UHFFFAOYSA-N 306.278 -0.532 50 20 DBGD COc1cccc([C@@H](O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 764945194 APHLBAJEGNFHRB-GFCCVEGCSA-N 321.333 -0.502 50 20 DBGD CCCC[C@H](NC(=O)NCC)C(=O)NNC(=O)c1cnn[nH]1 771466766 JWSFWXJGBFPIJC-QMMMGPOBSA-N 311.346 -0.556 50 20 DBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNc1ncc(F)cn1 792284509 IMPPUVDFFRZWNE-AWEZNQCLSA-N 321.312 -0.020 50 20 DBGD Cn1nncc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 798347433 AUUYLIHFCVTWLR-LLVKDONJSA-N 303.278 -0.584 50 20 DBGD CC(=NNC(=O)CSc1nnc(O)nc1O)c1c[nH]nc1C 814785209 TUMCCZFROWDUBK-UHFFFAOYSA-N 323.338 -0.053 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CC[C@@H](C(=O)O)[C@H](C)C1 814835067 GDICBYRWRJJNCM-KHQFGBGNSA-N 319.383 -0.083 50 20 DBGD COc1ccnc(NNC(=O)CCN2C(=O)CCNC2=S)n1 816859790 MCGZVRXDXFUCJC-UHFFFAOYSA-N 324.366 -0.575 50 20 DBGD CCCN(CC(=O)NNC(=O)C(C)C)[C@@H]1CC(=O)N(C)C1=O 829510692 LTDHXZNXUKFLHS-SNVBAGLBSA-N 312.370 -0.741 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)Cc1ccncc1 829561895 SIJNJKMXMNYTNX-SECBINFHSA-N 314.367 -0.901 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCNC2)cc1 851672873 XJJZJISTVKWPHH-NSHDSACASA-N 303.322 -0.371 50 20 DBGD COC(=O)N(C)CCNC(=O)NNC(=O)N=c1cc[nH]cc1 852657635 LQSNHRNAUPPATG-UHFFFAOYSA-N 310.314 -0.463 50 20 DBGD COCCCNC(=S)N(C)NC(=O)COCC(=O)OC 854285504 MJVMJQRQGWOIJO-UHFFFAOYSA-N 307.372 -0.950 50 20 DBGD CON(C)C(=O)[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1 858190077 AGJQPBLVIYVBKM-SECBINFHSA-N 309.326 -0.637 50 20 DBGD CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C1CCOCC1 858696093 INFBRFBNQHRZMU-MNOVXSKESA-N 312.370 -0.199 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2nc3n(n2)CCCC3)N1 861175091 LPGRBGIQYOQHDB-ZETCQYMHSA-N 307.314 -0.954 50 20 DBGD C[C@@H](NNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(F)(F)F 862307588 YPFMEYYHGMNABJ-RQJHMYQMSA-N 303.306 -0.018 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)N1 862464277 WFAVPLHVAVQAIN-LNFKQOIKSA-N 322.365 -0.893 50 20 DBGD CCc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCC(=O)N2)c1 863412006 FMISKKUTYYXVAM-LLVKDONJSA-N 311.363 -0.163 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN2C)C[C@@H](C)O1 895511951 ZJORLDBERCFOAL-XQQFMLRXSA-N 312.414 -0.273 50 20 DBGD Cc1cc(O)cc2c1C(=O)C(=NNC(=O)C(=O)NC1CC1)O2 915956356 WIDFTGUQBUYZSR-UHFFFAOYSA-N 303.274 -0.016 50 20 DBGD CC1(CCNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)OCCO1 1116579284 ORSDLPUXUQPRCI-LLVKDONJSA-N 321.399 -0.480 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 1116865775 RSDFBZGQMPGVRU-KOLCDFICSA-N 321.337 -0.633 50 20 DBGD Cc1ccc([C@@H](O)CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)o1 1261791213 JOJCVKCECUBAIT-IUCAKERBSA-N 310.310 -0.770 50 20 DBGD CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1319442193 OBGSQGZLSSTBJA-SECBINFHSA-N 320.415 -0.356 50 20 DBGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)CCl)CC2)cn1 1323269444 LVFBWSFKBSHDRD-UHFFFAOYSA-N 320.802 -0.072 50 20 DBGD N#Cc1ccccc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329128559 UAXHZZAFOMIPNU-VIFPVBQESA-N 308.319 -0.854 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(Cc2cn[nH]c2)CC1 1331383502 HBIWZDHLUVIZSI-LLVKDONJSA-N 308.386 -0.527 50 20 DBGD CCNC(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1335396040 RNZQIBPNLNTQQU-QMMMGPOBSA-N 303.344 -0.643 50 20 DBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)NC2CC2)c1 1337848408 FORLGZCNMWNOMB-UHFFFAOYSA-N 315.355 -0.629 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cccc(C)c1Cl 1338693670 LIDABFWOSFXDBL-UHFFFAOYSA-N 313.697 -0.093 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)nc1 1351700420 RPGMDVSPRYVTSY-JQWIXIFHSA-N 319.365 -0.300 50 20 DBGD CN(C)CC[C@@H](N)C(=O)NNc1cc(Br)ncn1 1578414936 BCVYSJQGVGSLBR-SSDOTTSWSA-N 317.191 -0.039 50 20 DBGD Cn1nc2c(c1C(=O)NNC(=O)[C@H]1CCCNC1)CSCC2 1579998397 NLHCMEALWYDQMY-VIFPVBQESA-N 323.422 -0.030 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 1599747284 NJJCOTHMAKTPEO-YUMQZZPRSA-N 306.340 -0.931 50 20 DBGD Cn1cc(C(=O)NNc2ccc(CC(=O)O)cc2)c(O)nc1=O 1600933022 WYXUEZURVQRCJC-UHFFFAOYSA-N 318.289 -0.130 50 20 DBGD Cn1cnn(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1=O 1600996470 XHGJNBLKFLCLQM-UHFFFAOYSA-N 322.233 -0.206 50 20 DBGD O=C1CN(CC(=O)NNc2ccc(C(=O)O)c(F)c2)CCN1 1602648555 FMYJJJKDRNFEEI-UHFFFAOYSA-N 310.285 -0.601 50 20 DBGD COC(=O)C[C@@H]1CN(S(=O)(=O)CBr)CCO1 127571635 XBCXSHPNXJMHKH-SSDOTTSWSA-N 316.173 -0.068 50 20 DBGD CNC(=O)[C@@H]1CCCN1CC(=O)NNC(=O)c1ccccc1 182078112 UEURNRUYVMNELB-LBPRGKRZSA-N 304.350 -0.342 50 20 DBGD COc1ccnc(NNC(=O)NCC2(N3CCOCC3)CC2)n1 277415677 GVQXBUYNKASEHJ-UHFFFAOYSA-N 322.369 -0.024 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)n1 279744562 BIPCVUVHSDOCLT-SKDRFNHKSA-N 320.349 -0.573 50 20 DBGD C=CCNC(=S)NNC(=O)Cn1nc2n(c1=O)CCCCC2 373933779 KXYROEQZYCICQR-UHFFFAOYSA-N 324.410 -0.548 50 20 DBGD CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1ccc(B(O)O)cc1 584974397 OFNAOBFRYYBCNL-CYBMUJFWSA-N 304.155 -0.551 50 20 DBGD Cc1cc(N2CCC[C@@H](NCc3ccc(B(O)O)o3)C2)n(C)n1 585038665 JZYPQMYGDJDION-GFCCVEGCSA-N 318.186 -0.240 50 20 DBGD O=C(CN1CCN2C(=O)NC[C@@H]2C1)NNC(=O)c1cccs1 752332037 LFTSZMZKDZHFLE-SECBINFHSA-N 323.378 -0.782 50 20 DBGD CNC(=O)NNS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 766318024 HGCHLGAOWUKPFX-UHFFFAOYSA-N 318.746 -0.187 50 20 DBGD CCn1cc(S(=O)(=O)NNC(=O)N2CCOCC2)nc1C 768039127 FYRQOTVLFRVOBV-UHFFFAOYSA-N 317.371 -0.553 50 20 DBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC#N)c1 771868100 OCRBGLOPTUFONO-UHFFFAOYSA-N 310.335 -0.388 50 20 DBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NN=c2cc[nH]cc2)c1 780759705 NOFGMZINXAFKRZ-UHFFFAOYSA-N 309.351 -0.161 50 20 DBGD CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@@H]1CCNC1=O 799354577 UIDUSQCKJZTBIO-CYBMUJFWSA-N 318.377 -0.034 50 20 DBGD CCS(=O)(=O)NCC(=O)NNc1ccc2c(=O)[nH]ccc2c1 803429652 IIACWVWRTFGEEQ-UHFFFAOYSA-N 324.362 -0.090 50 20 DBGD COC(=O)N(C)NC(=O)c1c(C)oc(C)c1S(N)(=O)=O 804124279 LCHWDCJOKZAHOL-UHFFFAOYSA-N 305.312 -0.113 50 20 DBGD CCO[C@@H]1CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1SC 807970843 YQEZBRLPHGBMBL-SZEHBUNVSA-N 323.440 -0.063 50 20 DBGD CN(C)CCc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 816823038 FXRHBPQZLFTRHI-UHFFFAOYSA-N 318.377 -0.170 50 20 DBGD CCCNC(=O)NNC(=O)[C@H]1COCCN1CC(F)(F)F 822800326 VBSQZOAWGRLUDV-MRVPVSSYSA-N 312.292 -0.010 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)N2CCOCC2)[C@H]2CCCC[C@@H]2N1 824621916 YOILHHKFLGICRI-WOPDTQHZSA-N 324.381 -0.246 50 20 DBGD CO[C@@H]1COC[C@H]1NC(=O)NNc1nc(O)c2cnn(C)c2n1 827924970 MGSKWHZCEVWDTO-HTQZYQBOSA-N 323.313 -0.891 50 20 DBGD CC(C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)c1ccccn1 858502238 IPBHZAWXHDCGPC-SNVBAGLBSA-N 319.365 -0.032 50 20 DBGD COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cc(B(O)O)ccc1F 863878854 LMBBHQSHUNXVSQ-TVQRCGJNSA-N 323.129 -0.081 50 20 DBGD NC(=O)NC(=O)c1cccc(NCc2cccc(B(O)O)c2)c1 864036664 VVJMWRQVBGSTNS-UHFFFAOYSA-N 313.122 -0.213 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@]2(C)C[C@H](O)CN2C)cc1 899946355 AEGYWQIAOVRHKZ-BLLLJJGKSA-N 321.377 -0.024 50 20 DBGD O=C(NNC(=O)c1ccc[nH]1)c1cnc2nc(O)nc(O)c2c1 916731751 QXKFGBUBEBFWOO-UHFFFAOYSA-N 314.261 -0.161 50 20 DBGD CC(C)C(=O)NNC(=O)C(=O)Nc1ccc(CCC(N)=O)cc1 1116618762 IHLSEFANXDDVPB-UHFFFAOYSA-N 320.349 -0.154 50 20 DBGD COC(=O)NNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1254943930 HGTAUILCRCRUEO-UHFFFAOYSA-N 303.296 -0.236 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1c[nH]nc1-c1ccncc1 1318871502 XPDGLQMNORYMFE-UHFFFAOYSA-N 316.321 -0.243 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(N(C)C)cc1 1318876117 DSFNRGIYEOTOJS-UHFFFAOYSA-N 308.338 -0.202 50 20 DBGD Cc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)ncn1 1319516221 UCYGPDVURZZKAS-UHFFFAOYSA-N 306.326 -0.762 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 1325519362 IFXSXZPQIZEDRF-VIFPVBQESA-N 320.305 -0.290 50 20 DBGD Cc1n[nH]c(C)c1C[C@H](C)C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1331804030 RROZXPXWYKEKCA-CPCISQLKSA-N 307.354 -0.369 50 20 DBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)C2CCNCC2)c2ncnn21 1576617403 HGSLRFDHMPXLPI-SCZZXKLOSA-N 307.358 -0.386 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@]1(C)CNCCO1 1579872504 LUCMMXNCKJAKON-OAHLLOKOSA-N 317.349 -0.218 50 20 DBGD O=C(NN=c1cc[nH]c2cccnc12)C1(C2(O)CNC2)CCC1 1580739650 KPPJJNYWZNDWLJ-UHFFFAOYSA-N 313.361 -0.001 50 20 DBGD C[C@@H](O)CN(C)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1590000019 CVHISUARXOJQHP-KCJUWKMLSA-N 306.326 -0.756 50 20 DBGD COCCOc1ccc(CNC(=O)NNC(=O)C(=O)O)cn1 1599258148 KSLUTKBIZQBYNH-UHFFFAOYSA-N 312.282 -0.978 50 20 DBGD C[C@@H](C(=O)O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 1602805169 PKMAELLTWQVRIA-SECBINFHSA-N 323.305 -0.219 50 20 DBGD O=C(CN1CCOCC1=O)NNc1cccc(-c2nn[nH]n2)c1 1606549320 OFDCZKMAHRHJFO-UHFFFAOYSA-N 317.309 -0.831 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 1607041702 KGRTULOIJDQDFK-SNVBAGLBSA-N 314.305 -0.003 50 20 DBGD C[C@@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110391 QZKWYCOVHABVJG-SVNGYHJRSA-N 317.817 -0.181 50 20 DBGD COc1ccc(CCNC(=O)NNC(=O)C(=O)NC2CC2)cc1 42927756 USLJMODCSMFION-UHFFFAOYSA-N 320.349 -0.153 50 20 DBGD CC(C)(C)OC(=O)NNC(=O)NCCC(=O)N1CCOCC1 45482041 ZBZVHVVZEMPYQH-UHFFFAOYSA-N 316.358 -0.026 50 20 DBGD CCCCNC(=O)NNC(=O)CCSc1nnnn1C 49143498 LSVFQMRGAHLILZ-UHFFFAOYSA-N 301.376 -0.177 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2ccc[nH]2)c2c(=O)[nH]n(C)c2n1 125175372 WUGDDXSRBXGVOP-UHFFFAOYSA-N 314.305 -0.027 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)Cc2ccn(C)n2)C[C@H](C)O1 180776159 GZMWKNDBDJHBBR-RYUDHWBXSA-N 323.397 -0.391 50 20 DBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNc1cccnn1 265562118 TYDBMXDPYYZUHZ-VDUILEQBSA-N 313.317 -0.273 50 20 DBGD COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 266852865 SDVNHNBIOIIVKG-VHSXEESVSA-N 313.354 -0.362 50 20 DBGD O=C(NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CCC1 275768939 VUNZCNFVLADHOZ-NWDGAFQWSA-N 318.333 -0.095 50 20 DBGD O=C1CNC(=O)c2ccc(C(=O)NNC(=O)C3CCC3)cc2N1 293736831 NEZSURDMVFWWMO-UHFFFAOYSA-N 316.317 -0.070 50 20 DBGD O=C(CN1CCCCCC1=O)NNC(=O)C(=O)N1CCCC1 299604267 WHWZHBZNIVMVHT-UHFFFAOYSA-N 310.354 -0.841 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H]1CN(CC)CCO1 365721815 GXROQPJPXUGQFB-NSHDSACASA-N 314.386 -0.841 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCC(=O)NC1 494741064 CDSWOEQFHKVYCN-QMMMGPOBSA-N 314.342 -0.815 50 20 DBGD COC(=O)N(C)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 497154133 UKDZHANDSGQZGI-UHFFFAOYSA-N 319.383 -0.080 50 20 DBGD Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(B(O)O)c(F)c1)C2 584936689 LKQHLSBLSIQRQH-NSHDSACASA-N 317.129 -0.245 50 20 DBGD C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc(B(O)O)cc1 584947874 DMQSZZBVTNIKBR-UWVGGRQHSA-N 311.168 -0.986 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNC(=O)C(C)(C)C 740853588 VYRHTXKYCKXFAW-UHFFFAOYSA-N 314.386 -0.399 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)C(F)(F)F 758034092 DMFVAQLJCNRRRL-WHFBIAKZSA-N 305.278 -0.730 50 20 DBGD O=C(CO)NNC(=O)c1ccc(CSc2nc[nH]n2)cc1 777782837 QYTMMXYCPQKWTG-UHFFFAOYSA-N 307.335 -0.150 50 20 DBGD CN(CC(=O)NN=c1cc[nH]cc1)S(=O)(=O)c1cccnc1 780759231 DRFWPXYVKNYSMO-UHFFFAOYSA-N 321.362 -0.338 50 20 DBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(C)o1 784129679 AZHSZSFIWNMQGE-UHFFFAOYSA-N 304.328 -0.919 50 20 DBGD Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](CO)O[C@H](C)C2)cc1 787314248 FAMQCPQWMCGCIR-OCCSQVGLSA-N 321.377 -0.162 50 20 DBGD CN1CCN(C(=O)NNC(=O)CNC(=O)CC(C)(C)C)CC1 788169508 PZFXYPGHZPRZCR-UHFFFAOYSA-N 313.402 -0.473 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc3n(n2)CCCO3)CC1 807380560 JMHWONFRTFFZHT-UHFFFAOYSA-N 308.342 -0.733 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)N1CCO[C@H](C(=O)O)C1 819018726 CVKVIPDBOQEOAK-ZETCQYMHSA-N 314.323 -0.409 50 20 DBGD Cc1cccc2c1O[C@H](C(=O)NNC(=O)C(=O)NC1CC1)C2 823742663 SNXMEQJWNCVGHW-NSHDSACASA-N 303.318 -0.275 50 20 DBGD CCN(CCO)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 823889414 VTGSJXQQFNVOBZ-UHFFFAOYSA-N 320.393 -0.319 50 20 DBGD C[C@@H](CO)N(C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 823959661 NKSKHDVDUZEMQM-BBRMVZONSA-N 307.394 -0.033 50 20 DBGD CCCNC(=O)CCNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C 825747866 ALKUUKIJBRAWGN-VHSXEESVSA-N 300.359 -0.342 50 20 DBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 826810033 SCDLLPDORYMWLO-UWVGGRQHSA-N 321.399 -0.435 50 20 DBGD COc1ccccc1C(=O)NNC(=O)C1(n2cnnn2)CC1 827011008 DOLZUWKEBXINKL-UHFFFAOYSA-N 302.294 -0.368 50 20 DBGD C[C@@H](CN1CCOCC1)NC(=O)NNC(=O)[C@@H]1CCCCO1 836221039 HGMYKYLTANRMLI-RYUDHWBXSA-N 314.386 -0.393 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCO[C@@H]2C)ncc1C(N)=O 843656197 AFWQUAXWQKIXAW-BDAKNGLRSA-N 306.322 -0.325 50 20 DBGD COC[C@@H](OC)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 854180333 KPGMBLCMIOBUGX-NEPJUHHUSA-N 310.306 -0.365 50 20 DBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCNC1=O 854223464 FPWYHWAWZMLOJB-KWQFWETISA-N 309.297 -0.124 50 20 DBGD N#Cc1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1F 858525603 ZEPKWPMRPIEVIB-LLVKDONJSA-N 319.296 -0.194 50 20 DBGD Cc1[nH]nc2ncc(C(=O)NNC(=O)CS(C)(=O)=O)cc12 863460253 QELRPHDOHQPXDB-UHFFFAOYSA-N 311.323 -0.928 50 20 DBGD CC(=O)OC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 863877206 AOEAVAJGCGCZRX-UHFFFAOYSA-N 309.102 -0.327 50 20 DBGD CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)o1 864230897 GHRDKYFOCGBOJN-MRVPVSSYSA-N 317.128 -0.306 50 20 DBGD Cc1cc(CC(=O)NNC(=O)CCCCN2CCOCC2)n[nH]1 869011945 ACCHJQZIXKYQPJ-UHFFFAOYSA-N 323.397 -0.089 50 20 DBGD C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(B(O)O)c1 912007177 MONSKLVRSJJOLQ-MXWKQRLJSA-N 304.155 -0.554 50 20 DBGD C[C@@]1(C(=O)N(CCO)CCOCCO)C[C@H]1Br 912771053 QRZHFMGPTHIPGD-MWLCHTKSSA-N 310.188 -0.010 50 20 DBGD Cc1ccc(C(=O)C(=O)NNC(=O)CN2CCCC2=O)cc1 913730111 ISZHTWCXHQJXOI-UHFFFAOYSA-N 303.318 -0.052 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCc2nccn2C1 913731119 UUFGGZMMBFBBCR-SNVBAGLBSA-N 305.338 -0.785 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 915261937 JSYJUUIDWXIEOA-BXKDBHETSA-N 321.333 -0.112 50 20 DBGD CC[C@@H](C)C(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920374574 HAUIBKOGKVIYOA-SSDOTTSWSA-N 306.326 -0.131 50 20 DBGD CSCCNC(=S)NNC(=O)c1ccc(C(N)=O)nc1 1116449079 JVBKAVIWYUQCDS-UHFFFAOYSA-N 313.408 -0.348 50 20 DBGD NC(=O)CCC1CCN(C(=O)NNC(=O)c2cn[nH]c2)CC1 1118811135 PZYZZGKFBOOYFD-UHFFFAOYSA-N 308.342 -0.258 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)NCCCCn2ccnc2)N1 1118858693 RDRUNYXLCODVBX-SNVBAGLBSA-N 308.342 -0.728 50 20 DBGD C#CCN1CCC[C@@H](NC(=O)NNC(=O)C2CCOCC2)C1 1119310349 YTHCHWKWACPKKO-CYBMUJFWSA-N 308.382 -0.159 50 20 DBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)OC)cc1 1320580425 RWNAIGBPMGSVTC-UHFFFAOYSA-N 323.305 -0.266 50 20 DBGD CC(C)NC(=O)NNS(=O)(=O)c1cnc2c(cnn2C)c1 1324178291 IOMRVGXPJUCLPE-UHFFFAOYSA-N 312.355 -0.131 50 20 DBGD COCC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCOCC1 1325942519 DKAWIIAWNAVECT-NSHDSACASA-N 318.395 -0.034 50 20 DBGD CNC(=S)N(C)NC(=O)c1cc(S(N)(=O)=O)oc1C 1331204048 OVANQKOBNOYCKJ-UHFFFAOYSA-N 306.369 -0.684 50 20 DBGD CN(C)[C@@H](C(=O)NNC(=O)C1CCOCC1)c1cncn1C 1335190861 VVGMVUIBBPAQIH-GFCCVEGCSA-N 309.370 -0.403 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCc1cnccn1 1339618453 GAYWAEHHPNVWMA-UHFFFAOYSA-N 307.354 -0.139 50 20 DBGD CN(C)CC[C@@H](N)C(=O)NNc1ccccc1S(C)(=O)=O 1346310059 YKCHUADICBRORT-SNVBAGLBSA-N 314.411 -0.188 50 20 DBGD CN(C(=O)/C(C#N)=C/c1cnn(C)c1)N1CCS(=O)(=O)CC1 1348201233 SVGZVJVEWDQOEK-KPKJPENVSA-N 323.378 -0.569 50 20 DBGD Cn1/c(=N\NC(=O)CCNC(=O)CO)sc2ccccc21 1548401284 NYOGTWKWFZZARZ-DTQAZKPQSA-N 308.363 -0.330 50 20 DBGD C[C@@H](O)[C@H](N)C(=O)NNC(=O)c1ccccc1Br 1579420102 OUJXNEUCZJWINP-MUWHJKNJSA-N 316.155 -0.082 50 20 DBGD Cn1cc(C(=O)NNC(=O)/C=C/[C@H]2CCCNC2)ccc1=O 1579953381 WRLGKIAQTNQMOU-DUMNWFOQSA-N 304.350 -0.298 50 20 DBGD O=C(CN1CCSC1=O)NNc1ccc(-c2nn[nH]n2)cn1 1592869978 SMQNTHYOGNEHQJ-UHFFFAOYSA-N 320.338 -0.126 50 20 DBGD Cn1cc(C[C@H](O)C(=O)NNc2ccc(C(=O)O)cn2)cn1 1600945634 AKMXBIFKPNLTSE-JTQLQIEISA-N 305.294 -0.440 50 20 DBGD O=C(NC[C@@H](c1ccco1)N1CCCC1)NNC(=O)C(=O)O 1601469249 ZFWMAXMLBFZPQA-VIFPVBQESA-N 310.310 -0.169 50 20 DBGD COC(=O)CNC(=O)NN=Cc1c(C(=O)O)ccc2c1OCO2 1776052581 XVGNPGRVGHRDCV-UHFFFAOYSA-N 323.261 -0.080 50 20 DBGD O=C(COCCO)N1CC2(CCCN2C(=O)[C@H](F)Cl)C1 1843365136 AEEZYWVYEJZNBJ-JTQLQIEISA-N 308.737 -0.267 50 20 DBGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(C)=O)c1 47830322 FODVPKXCMJQHGV-UHFFFAOYSA-N 301.324 -0.351 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O 267485817 DMBHUEUQQBGLRN-ZETCQYMHSA-N 316.310 -0.273 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1CCCCS1(=O)=O 275060800 WWASNORDBRBIKV-QMMMGPOBSA-N 300.340 -0.104 50 20 DBGD COc1ccccc1C(=O)NCC(=O)NNC(=O)C(C)(C)O 278008301 ROUPXQRLWYPYPM-UHFFFAOYSA-N 309.322 -0.657 50 20 DBGD COc1ncccc1CNC(=O)NNC(=O)C(=O)N1CCCC1 299491268 JPJHBZSHNNWQHC-UHFFFAOYSA-N 321.337 -0.457 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)[C@@H]2CN3CCCN2CC3)n1 373243651 KWFDYZXYSBHPKF-QMMMGPOBSA-N 311.777 -0.455 50 20 DBGD CN(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 496917795 DASXMUNIHHXDPW-BDAKNGLRSA-N 300.359 -0.391 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CN2CCCC2)C1 584952365 VYIQWZQWUDWDRV-ZDUSSCGKSA-N 302.183 -0.076 50 20 DBGD O=C(NCCCNC(=O)C1CCC1)c1cccc(B(O)O)c1 584959333 AKYSGGBMMMSAQB-UHFFFAOYSA-N 304.155 -0.597 50 20 DBGD Cc1cc(C[C@H](C)NC(=O)c2cc(B(O)O)ccc2F)n[nH]1 584964638 LGAGEZUWAXJYRC-QMMMGPOBSA-N 305.118 -0.102 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC(O)(C2CC2)CC1 585009130 PXZRPBGVMPGPNQ-UHFFFAOYSA-N 307.130 -0.117 50 20 DBGD O=C1C[C@@H](NCc2ccc(B(O)O)cc2)CN1CC(F)(F)F 585024870 FTRBANUEMKREPH-LLVKDONJSA-N 316.088 -0.381 50 20 DBGD Cn1c2c(ccc1=O)[C@@H](NCc1ccc(B(O)O)o1)CCC2 585045582 JFMLDGFGWYSYTG-LBPRGKRZSA-N 302.139 -0.175 50 20 DBGD O=C1CC[C@H](CCc2nc(-c3ccc(B(O)O)cc3)no2)N1 585055003 PENIQEPGXZBFDL-LLVKDONJSA-N 301.111 -0.372 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCCn1ccnc1C 748628640 XIYVNVGRTNQYPG-SNVBAGLBSA-N 313.358 -0.427 50 20 DBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@@H]1CCOC1 752253417 RVSLNKBPZOYGAR-SKDRFNHKSA-N 307.306 -0.054 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1CCCC1 758048297 RSEXKIAZVGWEHH-QMMMGPOBSA-N 307.372 -0.969 50 20 DBGD CC(C)CCn1nccc1NC(=O)C(=O)NNC(=O)CN(C)C 764212734 QEWSXJYOGUAUJA-UHFFFAOYSA-N 324.385 -0.423 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1C[C@H](C)[C@H](O)C1 768772089 YJCARBYLIGBBBV-GXTWGEPZSA-N 305.378 -0.002 50 20 DBGD CCNC(=O)CC(=O)NNC(=O)CNC(=O)c1cccs1 780921266 KVVMCEXMVXZQTM-UHFFFAOYSA-N 312.351 -0.849 50 20 DBGD O=C1CNC(=O)N1CCCNS(=O)(=O)CBr 782434802 MCBLBPRFJJBKDJ-UHFFFAOYSA-N 314.161 -0.800 50 20 DBGD C=CCNC(=S)NNC(=O)CNC(=O)Cc1ccc(O)cc1 798306334 XPECYGHQNHWRHU-UHFFFAOYSA-N 322.390 -0.268 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 823934079 BIJSXWBPBRPDQK-JTQLQIEISA-N 305.338 -0.472 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NC[C@@H]1COC(C)(C)O1 826884115 BNRRFOQKGYYJDG-IVZWLZJFSA-N 301.343 -0.107 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNc1cccc(OC)n1 831876985 SQMPHQARERJAPY-QMMMGPOBSA-N 302.356 -0.139 50 20 DBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)[C@@H]1CCCCO1 836349808 MRVWYDMPRWNKOK-NEPJUHHUSA-N 314.386 -0.393 50 20 DBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@]2(O)CCOC2)c1 840237267 IPHLXRPQKHXLMD-OAHLLOKOSA-N 308.334 -0.019 50 20 DBGD CC(C)c1nc(C#N)c(NNC(=O)[C@@H]2CCS(=O)(=O)N2)o1 845334731 YNXODYAMHKRLRB-ZETCQYMHSA-N 313.339 -0.196 50 20 DBGD CN(C)C(=O)CNC(=O)NNc1ncc(Br)cn1 847270389 TXJGUSCZXFHOMG-UHFFFAOYSA-N 317.147 -0.047 50 20 DBGD CC1=C(C(=O)NNC(=O)c2cc[nH]n2)[C@H](C)n2nnnc2N1C 855356131 MAULTQBUZPQGND-ZETCQYMHSA-N 317.313 -0.858 50 20 DBGD Cc1cccc([C@H](O)CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858697486 SWPLJWWIURLMCP-NWDGAFQWSA-N 320.349 -0.363 50 20 DBGD O=C(COCCOc1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 862451110 ISIJFAWWCABGSM-GFCCVEGCSA-N 321.333 -0.492 50 20 DBGD O=C1CN(CC(=O)NNc2ccc(C(F)(F)F)cn2)CCN1 907478516 YVCMHXVXVWPSRX-UHFFFAOYSA-N 317.271 -0.025 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2nccn2c1 913730853 LLTNITXXYDWEQN-UHFFFAOYSA-N 301.306 -0.282 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@@H]1C1CC1)N[C@H]1CCS(=O)(=O)C1 1117699401 MYOWLWLFLPIMFH-AEJSXWLSSA-N 301.368 -0.450 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H]1COc2c(cccc2OC)C1 1318942180 OSDVXBYNEFOBQZ-SECBINFHSA-N 323.305 -0.498 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CN(C)CCN2C)n1 1321032067 DLOONZARBGHHIJ-GFCCVEGCSA-N 320.397 -0.420 50 20 DBGD COCCCNC(=O)NNC(=O)c1ccc(C(N)=O)s1 1322349085 MAUPIPCQPBGFCK-UHFFFAOYSA-N 300.340 -0.173 50 20 DBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)C1 1325106986 FVNAQJQVTKEBRJ-ZCFIWIBFSA-N 311.264 -0.330 50 20 DBGD Cc1nc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)o1 1327779344 ZBWIKAWTTVYRLW-QMMMGPOBSA-N 301.324 -0.513 50 20 DBGD C[C@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)c1cccc(C#N)c1 1345895753 ZFMYDMJMOXXHJZ-SMDDNHRTSA-N 313.361 -0.292 50 20 DBGD CCc1ccccc1-n1cc(C(=O)NNC(=O)NCCN)nn1 1578268891 VADIYAPNMNPKHE-UHFFFAOYSA-N 317.353 -0.268 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)NOCCO)cc(-c2nn[nH]n2)n1C 1591815304 CDBOYAMXMSYPLR-BJMVGYQFSA-N 317.309 -0.539 50 20 DBGD O=C(NCc1cccc(-c2nn[nH]n2)c1)c1cccc(B(O)O)c1 1593143877 OMVVBKUHRBAJHN-UHFFFAOYSA-N 323.121 -0.524 50 20 DBGD O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)C1CC1 12609422 ZNIDOPZYNIAPFU-UHFFFAOYSA-N 316.317 -0.363 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 15639373 XUVJYQKOZCUFCM-JTQLQIEISA-N 312.347 -0.109 50 20 DBGD CNC(=O)CN1CCN(S(=O)(=O)CBr)CC1 127138685 SRLYYGSIGBPFAZ-UHFFFAOYSA-N 314.205 -0.968 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2ccc(Cl)nn2)O1 268485233 TTXFXUOTGKJKIG-RQJHMYQMSA-N 314.733 -0.211 50 20 DBGD COC(=O)C1(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 495371625 HVMFQPGKCQKQRS-UHFFFAOYSA-N 315.326 -0.388 50 20 DBGD CSC[C@@H](CCO)NC(=O)c1ccc(B(O)O)c(F)c1 584963440 UOJHPRWCYIDZMB-SECBINFHSA-N 301.148 -0.651 50 20 DBGD O=C(CCCNC(=O)c1cc(B(O)O)ccc1F)NC1CC1 584969135 BYUARPJJYNQPRX-UHFFFAOYSA-N 308.118 -0.706 50 20 DBGD CN(C)CCN1CCC(NCc2ccccc2B(O)O)CC1 585017474 BVWXARQIUCGDKO-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)o1)c1ccc(OCC(N)=O)cc1 585026527 OGBOTFLYZHIARW-SNVBAGLBSA-N 318.138 -0.326 50 20 DBGD COCCO[C@@H]1COCC[C@H]1NCc1cccc(B(O)O)c1 585036727 PNWNCUMUTSLERH-HUUCEWRRSA-N 309.171 -0.724 50 20 DBGD CCNS(=O)(=O)c1ccc(/C=C/C(=O)NCB(O)O)cc1 585062738 XBMQPWIZPCYWDJ-VMPITWQZSA-N 312.156 -0.874 50 20 DBGD CN(CCCC(=O)NNC(=O)C(=O)N1CCCC1)C(=O)O 737426909 KPDORBFVLROBFF-UHFFFAOYSA-N 300.315 -0.854 50 20 DBGD O=C(O)CCCNC(=O)NNC(=O)COc1ccccc1O 738576641 REEOHUWMJWOBFA-UHFFFAOYSA-N 311.294 -0.034 50 20 DBGD CC[C@H](C)NC(=S)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 749764339 BYCQETGRHFKPQD-JGVFFNPUSA-N 308.429 -0.350 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 764428608 IBVFMNIKQWVDOK-UHFFFAOYSA-N 324.312 -0.496 50 20 DBGD CC(C)(O)C(=O)NNC(=O)COCCNC(=O)c1ccccc1 768245591 WOXWTHQWNCJWFS-UHFFFAOYSA-N 323.349 -0.649 50 20 DBGD O=C(Cn1ccc(O)nc1=O)NNc1nc2ccccc2[nH]1 768504157 MAUSPKGBYAYLCB-UHFFFAOYSA-N 300.278 -0.032 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)OC)cn1 771929054 IKRGGZMPOYNOCC-QMMMGPOBSA-N 323.305 -0.029 50 20 DBGD C[C@H](C(=O)NNC(=O)N1CCN(C)CC1)N1CCSCC1 773674810 UYEAICIHQKCVNP-LLVKDONJSA-N 315.443 -0.588 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)Cc1ncnn1CC(F)F 786207614 MLOZFNAQZONFHE-QMMMGPOBSA-N 318.328 -0.079 50 20 DBGD CSCCNC(=S)NNC(=O)C1(S(C)(=O)=O)CC1 792289352 PVDAMLDUWGJZCC-UHFFFAOYSA-N 311.454 -0.578 50 20 DBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)C[C@H](C)[S@]1=O 796374295 BBEOGGMHGFZSTD-YNCXGMNZSA-N 301.412 -0.225 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cnn(-c2ccccn2)c1N 816360445 UTWKNGVINBIHHF-UHFFFAOYSA-N 304.310 -0.619 50 20 DBGD O=C(O)CCCCNC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 821518893 QGRMGMQRWWTMCZ-MRVPVSSYSA-N 321.355 -0.994 50 20 DBGD CC1=NO[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1 831789808 FORIFIKHNMXQDE-QMMMGPOBSA-N 300.315 -0.177 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2cc(C(=O)O)nn2)cc1 832911433 FQPCINCOZJHUOF-UHFFFAOYSA-N 303.278 -0.254 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1c[nH]nc1Cl 842588501 BHJDLNMNVZBUPI-WDSKDSINSA-N 308.747 -0.202 50 20 DBGD C[C@@H](NC(=S)NNC(=O)[C@@H](C)N1CCN(C)CC1)C1CC1 855100920 LQLVRUIHPRLUFE-GHMZBOCLSA-N 313.471 -0.084 50 20 DBGD CCOC1(C)CCN(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858699934 AIBIGPGHJAOMJD-SNVBAGLBSA-N 312.370 -0.103 50 20 DBGD CC(C)c1nn(C)cc1NC(=O)NNC(=O)[C@H]1CCC(=O)N1 861050372 GIJKFMHZQDDPFQ-MRVPVSSYSA-N 308.342 -0.025 50 20 DBGD Nc1ccc(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] 862449917 UONNISCZXREZNS-QMMMGPOBSA-N 307.266 -0.783 50 20 DBGD CC(=O)Nc1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862459133 NLQUATLLTJLCBF-LBPRGKRZSA-N 318.333 -0.007 50 20 DBGD CC(C)c1nocc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 863866280 SQZPDPHJRIRUMQ-SSDOTTSWSA-N 318.355 -0.503 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCC12OCCO2 913732666 DVDNUEONVHNWNF-SNVBAGLBSA-N 311.338 -0.701 50 20 DBGD C=CCCO[C@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 921166154 RLAXRQXFRYXWJE-ZJUUUORDSA-N 319.383 -0.515 50 20 DBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)c3cn[nH]c3)C2)cn1 1118860886 RMZFQIYCYUQKEC-SNVBAGLBSA-N 318.341 -0.634 50 20 DBGD Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1118884281 DEWHRRVHDXJHRK-XCBNKYQSSA-N 307.354 -0.054 50 20 DBGD O=C(NNc1nccc(N2CCOCC2)n1)c1cncnc1 1320303934 WXYPYVKEHHGHRX-UHFFFAOYSA-N 301.310 -0.140 50 20 DBGD CS(=O)(=O)c1cccc(NNC(=O)C(=O)NCC(F)F)c1 1320808300 NUIUGXXITPLESD-UHFFFAOYSA-N 321.305 -0.086 50 20 DBGD CN1CCC(n2ccc(NC(=O)NNC(=O)CCO)n2)CC1 1320908494 DQEQSUAQXWNERQ-UHFFFAOYSA-N 310.358 -0.315 50 20 DBGD CCn1nc(C)c(CNC(=O)NNC(=O)c2cnn(C)c2)n1 1329179573 LDUQFLVBDVFAPH-UHFFFAOYSA-N 306.330 -0.516 50 20 DBGD Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)CS(C)(=O)=O 1329586408 BYHLXIZIROWECM-UHFFFAOYSA-N 315.307 -0.291 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2noc3c2COCC3)CC1 1331465747 FRTDZBYOQSWQLK-UHFFFAOYSA-N 309.326 -0.651 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1NCC12CCOCC2 1580573817 PCRQSUVAARKACY-ZDUSSCGKSA-N 304.350 -0.460 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNC(=O)C1CC1 1592876371 QAPCBDTYNPGKBA-UHFFFAOYSA-N 301.310 -0.164 50 20 DBGD O=C(NNC(=O)c1csnn1)c1ccc(-c2nn[nH]n2)cc1 1593159397 KQFDFXVFNOTBLL-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD Cc1cc(=NNC(=O)[C@@H]2CCCN(CC(=O)O)C2=O)cc[nH]1 1594325396 VOONNAGLQZBCJK-NSHDSACASA-N 306.322 -0.422 50 20 DBGD CC(C)(C)OC(=O)N1CC(CNC(=O)NNC(=O)C(=O)O)C1 1603383322 PKCIUMSSFQEPCB-UHFFFAOYSA-N 316.314 -0.732 50 20 DBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NN)CC2)c1 194317425 OWKNCOWWPIYYHD-UHFFFAOYSA-N 312.395 -0.563 50 20 DBGD CN1C[C@@H](NC(=O)NNC(=O)COCc2ccccc2)CC1=O 267751108 VYWAWQVQMXUZNV-LBPRGKRZSA-N 320.349 -0.236 50 20 DBGD C#CCN(C)CCCNC(=O)NNC(=O)Cn1nc(C)cc1C 297458906 KPRIZBYYTNFKMB-UHFFFAOYSA-N 320.397 -0.215 50 20 DBGD O=C(CO)NNC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 368167783 NLCBDJRQJMRAPZ-ZETCQYMHSA-N 313.260 -0.543 50 20 DBGD CC(C)(C)OC(=O)NCc1cc(C(=O)NNC(=O)CO)ccn1 495454096 OGSOCHDCNRKHRY-UHFFFAOYSA-N 324.337 -0.140 50 20 DBGD CC(C)[C@H](O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 497149839 JJOZOSYDGMZMNT-VIFPVBQESA-N 318.374 -0.142 50 20 DBGD O=C1CC[C@@]2(C(=O)Nc3cccc(B(O)O)c3)SCCN12 584909833 ISAGANHCRCBEAW-ZDUSSCGKSA-N 306.152 -0.630 50 20 DBGD CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584944929 DMHDXUDJXKPOBZ-MRVPVSSYSA-N 317.147 -0.942 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCS(=O)(=O)C[C@@H]1C1CC1 584997064 CBINLICTRJVSMJ-CYBMUJFWSA-N 323.179 -0.984 50 20 DBGD CC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(B(O)O)c(F)c1 585006292 SUSYOAGFDQFJET-LBPRGKRZSA-N 308.118 -0.802 50 20 DBGD C[C@@H](NCc1ccc(B(O)O)o1)C(=O)NCc1ccccc1 585018032 FSQMRTAKITXZPM-LLVKDONJSA-N 302.139 -0.246 50 20 DBGD O=C1[C@@H](NCc2ccc(B(O)O)o2)CCN1Cc1ccccc1 585020545 AOQGMVNMQGIIFO-AWEZNQCLSA-N 314.150 -0.150 50 20 DBGD COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 585057629 IAZKJJANRCDFEL-SECBINFHSA-N 315.156 -0.059 50 20 DBGD Cn1c(CC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)O)nc2ccccc21 739012847 RYGMDZYETYLFFH-DTWKUNHWSA-N 316.317 -0.016 50 20 DBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)OC)cn1 747573364 XJZKHZUAEJUBNG-UHFFFAOYSA-N 314.302 -0.962 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C(C)C 751207266 UGGBAPORDZTFGR-LBPRGKRZSA-N 324.337 -0.683 50 20 DBGD CO[C@]1(CNC(=O)NNC(=O)Cc2cccnc2)CCOC1 763663406 TZSOFOBRRAMZGG-AWEZNQCLSA-N 308.338 -0.240 50 20 DBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)C2CC2)c1 772045778 GCCZBOHFLNCYQJ-UHFFFAOYSA-N 305.334 -0.089 50 20 DBGD CCOCC(=O)NNC(=O)NCc1nc(C(F)(F)F)n[nH]1 776257315 UYPBOSANNFJXIO-UHFFFAOYSA-N 310.236 -0.310 50 20 DBGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(C)=O 777593789 NPBQRYQBDSXZBL-UHFFFAOYSA-N 321.380 -0.686 50 20 DBGD COC(=O)Cc1cccc(C(=O)NNC(=O)C(=O)NC(C)C)c1 777774150 XWQNYXQRJXVNKQ-UHFFFAOYSA-N 321.333 -0.312 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NN=c2cc[nH]cc2)cc1 780753637 JIACLZCIAZPOGH-UHFFFAOYSA-N 306.347 -0.163 50 20 DBGD CC(=O)N1CC(C(=O)OCC(=O)NNC(=O)c2ccccc2)C1 788158488 GIZVSHYVKXGBEG-UHFFFAOYSA-N 319.317 -0.531 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=C1CCC12CCOCC2 799879082 OZMYNSRJTDZEDI-SECBINFHSA-N 303.384 -0.013 50 20 DBGD NS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)C2CCCC2)C1 799982087 SVQKPCCVTOWOAB-SNVBAGLBSA-N 318.399 -0.330 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2(C(N)=O)CCC2)cc1 801106993 KJISJPHOOSXKGQ-UHFFFAOYSA-N 318.333 -0.263 50 20 DBGD CCn1ccnc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 813378189 MRSLWXQWDTWMGU-MRVPVSSYSA-N 300.340 -0.901 50 20 DBGD COc1ccccc1C(=O)NNC(=O)C1=NN2CCCN=C2N1 827005623 GQEPPBXMXGZFMF-UHFFFAOYSA-N 316.321 -0.565 50 20 DBGD CC(C)OC[C@H](C(=O)O)N(C)CC(=O)NNC(=O)C(C)(C)C 827016214 MCQCCAXGMSQZKU-SNVBAGLBSA-N 317.386 -0.010 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)CCC(=O)N1CCOCC1 843973948 JLWSCPJHXSJETF-MNOVXSKESA-N 313.354 -0.802 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)COc1ccccc1O)C(=O)O 848584816 ASTQMXLCYCIWGY-QMMMGPOBSA-N 311.294 -0.178 50 20 DBGD CNC(=S)N(C)NC(=O)CNC(=O)Cc1cccc(F)c1 854926185 WRDKDEYEDCFHOB-UHFFFAOYSA-N 312.370 -0.048 50 20 DBGD Cn1ccnc(NNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1=O 857144399 KBODELPTJZBVDN-HBNTYKKESA-N 319.365 -0.082 50 20 DBGD O=C(CN1CCCNC1=O)NNC(=O)c1cccc(Cl)n1 857326363 VZSRWYVPDIUOOI-UHFFFAOYSA-N 311.729 -0.089 50 20 DBGD CC(=O)NCCNC(=O)CCC(=O)NN=c1cc[nH]c(C)c1 862511355 MGYVDDKZJLITRR-UHFFFAOYSA-N 307.354 -0.712 50 20 DBGD CCc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1 863413419 HYTNNDQSZRBJFQ-NSHDSACASA-N 311.363 -0.163 50 20 DBGD Cc1nnc(NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)nc1O 914832398 YZRDMGJUGISDSU-SECBINFHSA-N 308.342 -0.167 50 20 DBGD O=C(NNS(=O)(=O)c1cn[nH]c1)[C@@H]1COc2ccccc2O1 919954441 LSWRJIOHWPGKRM-NSHDSACASA-N 324.318 -0.441 50 20 DBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)C2CC2)cc1 1116576078 XWOFSFPHXLCXGP-UHFFFAOYSA-N 311.363 -0.305 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)c2nnnn2C)n1 1123737687 GVTPAAKOQKQFLW-VIFPVBQESA-N 321.345 -0.885 50 20 DBGD C#Cc1cccc(NC(=O)C(=O)NNc2nccn(C)c2=O)c1 1255519732 SUKSYWMEQAMYFQ-UHFFFAOYSA-N 311.301 -0.157 50 20 DBGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1cc(CO)on1 1327611139 WDSZZRMIULADMI-UHFFFAOYSA-N 317.305 -0.168 50 20 DBGD Cc1ccc(CNC(=O)NNC(=O)c2cnn(C)c2)c(=O)n1C 1344004284 WRJVAZYQTJEVGG-UHFFFAOYSA-N 318.337 -0.429 50 20 DBGD O=C(NNC(=O)C1CCOCC1)N[C@H]1C[C@@H]2CCCCN2C1=O 1353044764 RKWUGWYLNCHTNP-RYUDHWBXSA-N 324.381 -0.103 50 20 DBGD Cn1cc(C2=NO[C@H](C(=O)NNC(=O)C3CCNCC3)C2)cn1 1579954663 GQXURIIYXZWMHD-LBPRGKRZSA-N 320.353 -0.940 50 20 DBGD O=C1CC[C@H](CC(=O)NNc2ccc(-c3nn[nH]n3)cn2)CN1 1607041645 HZDHMKKGQXYONC-MRVPVSSYSA-N 316.325 -0.379 50 20 DBGD O=C(C[C@@H]1NC(=O)NC1=O)NNc1ccc(F)c(C(=O)O)c1 1608356417 ODWRNZHHXQKWQO-QMMMGPOBSA-N 310.241 -0.435 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)Nc1ccc(C(=O)O)nn1 1608476907 BQCYYQVPSKAMBE-QMMMGPOBSA-N 309.282 -0.103 50 20 DBGD CN1C[C@H](C(=O)NNc2nc3ccccc3c(=O)n2C)CC1=O 113187337 PKTUOWVKPURTCA-SECBINFHSA-N 315.333 -0.145 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNc1cc(Cl)ccn1 272247813 LLNUAZUVCSJCIS-UHFFFAOYSA-N 307.763 -0.090 50 20 DBGD C[C@@H]1Oc2ccccc2N(CC(=O)NNC(=O)C(C)(C)O)C1=O 276303221 TXQCPALNGYWNOO-VIFPVBQESA-N 321.333 -0.281 50 20 DBGD CN1CCN(C(=O)NNC(=O)COc2ccccc2C#N)CC1 285939869 PKPVPLICKGMNEI-UHFFFAOYSA-N 317.349 -0.075 50 20 DBGD COCCN(C)NC(=O)c1cc(S(N)(=O)=O)ccc1F 288597659 SWVKLTMWRKJPJN-UHFFFAOYSA-N 305.331 -0.304 50 20 DBGD O=C(CC1CCCC1)NCCNC(=O)c1cccc(B(O)O)c1 584938927 OZCYSCXULMJCDS-UHFFFAOYSA-N 318.182 -0.207 50 20 DBGD C[C@H](CNC(=O)c1cccc(B(O)O)c1)CN1CCOCC1 584950028 OJBLHQLZSYTPPU-GFCCVEGCSA-N 306.171 -0.936 50 20 DBGD CN(C)C1CCN(CCNC(=O)c2cccc(B(O)O)c2)CC1 584961543 TYNFCKQAKATGJP-UHFFFAOYSA-N 319.214 -0.878 50 20 DBGD O=C(NCCN1C[C@@H]2CC[C@H](C1)O2)c1ccc(B(O)O)c(F)c1 585000164 XYPQUHOYZFHUES-TXEJJXNPSA-N 322.145 -0.902 50 20 DBGD CN1CCC(F)(F)[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 585003939 YQQLFPXUJHCGLP-LLVKDONJSA-N 312.125 -0.317 50 20 DBGD O=C(NCc1cc2c(nc1O)CCC2)c1cccc(B(O)O)c1 585010096 JNZXIPVFSALOCZ-UHFFFAOYSA-N 312.134 -0.114 50 20 DBGD C[C@H](CNCc1ccc(B(O)O)cc1F)CN1CCN(C)CC1 585022798 ZZRPMXOJZLLPJO-CYBMUJFWSA-N 323.221 -0.521 50 20 DBGD COC(=O)c1c(S(=O)(=O)NNC(=O)CC(C)C)n[nH]c1C 732045726 OLMHXLDWCKSVHK-UHFFFAOYSA-N 318.355 -0.140 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](NC(=O)O)C(C)C)n1 738367931 DHNQAQQLFXXBHI-LLVKDONJSA-N 311.342 -0.060 50 20 DBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1cccn1C 746103330 LQLQMHJSAXDCHU-UHFFFAOYSA-N 316.383 -0.542 50 20 DBGD C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N(C)C 750615117 POAYGLNJGPETAJ-VIFPVBQESA-N 317.390 -0.208 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)OC)C(C)C 772131198 COCSPRSLOVWLCM-WPRPVWTQSA-N 317.342 -0.144 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)/C=C/c1cnc(OC)nc1 775130473 FUICYSOUELQYHC-CYNONHLPSA-N 322.321 -0.013 50 20 DBGD CN(C)C(=O)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 779751612 GLFABRWAQFAALR-UWVGGRQHSA-N 307.310 -0.740 50 20 DBGD O=C1NC(=O)N2CCN(S(=O)(=O)CCCCCl)C[C@H]12 780834809 KLQRHMOYCRBJTG-MRVPVSSYSA-N 309.775 -0.429 50 20 DBGD O=C1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCN1 826478608 GPBBVQPQCIQURW-VIFPVBQESA-N 301.310 -0.164 50 20 DBGD O=C(CN1CCNCC1=O)NNc1nc(-c2cccnc2)no1 831890562 MEODKMQFPCXYOU-UHFFFAOYSA-N 317.309 -0.994 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1C1CCCC1)c1ncccn1 841449547 ZHOVTNGUZJICOF-GFCCVEGCSA-N 319.365 -0.119 50 20 DBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1F 861805513 CXYNVKMHFJSBPG-UHFFFAOYSA-N 313.285 -0.307 50 20 DBGD CC(=O)NC1(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCCCC1 862453467 VTLACNGZTAILHA-JTQLQIEISA-N 310.354 -0.749 50 20 DBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)[C@@H]1CCO[C@H]1C)CC2 1261499311 HJYXEPMRKPSCJJ-JMJZKYOTSA-N 307.354 -0.279 50 20 DBGD CC(C)(C)NC(=S)NNC(=O)c1ccc(S(N)(=O)=O)o1 1262154975 XQZOTDWVNOEBBP-UHFFFAOYSA-N 320.396 -0.166 50 20 DBGD CN(C)N(C(=O)CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1317719591 XZUARKZIPRZFLE-SNVBAGLBSA-N 303.384 -0.899 50 20 DBGD C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ncn(C)n1 1320516705 UWTTXVPSSCYEBT-SECBINFHSA-N 303.326 -0.156 50 20 DBGD CC(C)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)F 1321055679 RXFLADQWWLUPCT-ZCFIWIBFSA-N 313.326 -0.205 50 20 DBGD O=C(NCCn1cncn1)NNc1ccc(-n2ccnc2)nn1 1322633187 QNGQIOAEYIOQLS-UHFFFAOYSA-N 314.313 -0.420 50 20 DBGD CCn1cc(NC(=O)C(=O)NNC(=O)CC2CC2)ccc1=O 1325514937 AOMWHXNOIQCLLL-UHFFFAOYSA-N 306.322 -0.246 50 20 DBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(F)n1 1327524483 HCYHNWQWLFZCSR-UHFFFAOYSA-N 304.303 -0.791 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCO[C@H]2C)cn1 1332158617 UBUISTJPQOXUNJ-GXSJLCMTSA-N 306.322 -0.099 50 20 DBGD Cc1cnn(CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1337643542 ARICGDVDBHTRAQ-JTQLQIEISA-N 314.367 -0.836 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(C(N)=O)nc1 1345742957 VLKYABGSOSPPHY-WCBMZHEXSA-N 321.337 -0.564 50 20 DBGD Cn1cc(C(=O)NNC(=O)CC[C@@H]2CCCNC2)ccc1=O 1579953023 DJLCLMHUCWGGEM-NSHDSACASA-N 306.366 -0.074 50 20 DBGD N#C[C@H]1CNCC12CC(C(=O)NNC(=O)[C@@H]1CCCCO1)C2 1580042882 DAFPIMOTRNGEEL-WVIDZAQPSA-N 306.366 -0.158 50 20 DBGD COCCN(CCC(=O)O)CC(=O)NNC(=O)C(C)(C)C 1594011032 CPBPFNZWMBEJKX-UHFFFAOYSA-N 303.359 -0.397 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1scc(C(=O)O)c1C 1599143521 VGIBYKAKTJBZOX-UHFFFAOYSA-N 315.307 -0.513 50 20 DBGD Cn1nc(C(=O)O)cc1NC(=O)c1cc(B(O)O)ccc1F 1601004982 RFVQXSRUZTUTNL-UHFFFAOYSA-N 307.046 -0.811 50 20 DBGD O=C(NC[C@H]1CCO[C@H]1C(=O)O)NNc1nc2ccccn2n1 1601524628 AWUQGDVLQDXQEC-PSASIEDQSA-N 320.309 -0.155 50 20 DBGD CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1795060801 WPAVDUHSGCEKMO-JXUBOQSCSA-N 306.721 -0.301 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)CNc1cccc(OC)c1 264032628 SRNXXXJIPIMKRS-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H]2CCC(=O)N2)c(OC)c1 264340770 YKFTWLYROKNHBN-SNVBAGLBSA-N 307.306 -0.257 50 20 DBGD COC[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)CCO1 266016168 UTIWQQADBUNDBW-ZDUSSCGKSA-N 307.350 -0.205 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)c1nnn(C)c1C 266092946 RAGHWIBRKCWHMH-UHFFFAOYSA-N 319.321 -0.028 50 20 DBGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)/C(C#N)=C/OCC)C1 271504840 HCRBOHLCHZGOES-PBQZMEPESA-N 301.368 -0.029 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1cc(-n2cnnn2)ccc1F 274826094 ZVUKTKZQFSEVAQ-UHFFFAOYSA-N 322.304 -0.484 50 20 DBGD COCCN(C)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 288550247 YQFIUBONAOXYGO-UKJIMTQDSA-N 307.350 -0.597 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)CN1CCCS1(=O)=O 298652218 DHPVQZIXGPIBHE-UHFFFAOYSA-N 311.363 -0.208 50 20 DBGD CCC(=O)N1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584932863 SUTSUFKFKABJGG-UHFFFAOYSA-N 304.155 -0.549 50 20 DBGD COCCc1noc(CN(C)C(=O)c2cccc(B(O)O)c2)n1 584957927 KPDGNGQPEGMNIM-UHFFFAOYSA-N 319.126 -0.790 50 20 DBGD Cc1cc(CNC(=O)c2cccc(B(O)O)c2)nc(N(C)C)n1 584980378 YDGSVHLJZNPSMI-UHFFFAOYSA-N 314.154 -0.539 50 20 DBGD CSC1(CNC(=O)c2ccc(B(O)O)cc2)CCN(C)CC1 584990592 FWOWKINEOVMEBW-UHFFFAOYSA-N 322.239 -0.076 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CC[C@@](O)(C(F)F)C1 584997868 MIMAIZFIZZSEEU-LBPRGKRZSA-N 303.045 -0.652 50 20 DBGD O=C(c1ccc(B(O)O)c(F)c1)N1CCC[C@@H](n2ccnn2)C1 584999911 FTWTVBLZDFHRRY-LLVKDONJSA-N 318.117 -0.426 50 20 DBGD COCCO[C@H]1COCC[C@@H]1NCc1ccccc1B(O)O 585036049 CRHORNJHCTXABB-GJZGRUSLSA-N 309.171 -0.724 50 20 DBGD COCCCn1cc(C)c(NCc2cccc(B(O)O)c2)n1 585045433 HWUCXIRDZPHZIU-UHFFFAOYSA-N 303.171 0.520 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1C(=O)O 728435363 ZDJIXRIHFWDXAA-QMMMGPOBSA-N 313.335 -0.227 50 20 DBGD CN(C)c1nnc(-c2ccc(NC(=O)NNC(=O)CO)cc2)o1 757719222 GVEBXYUOMHWUJE-UHFFFAOYSA-N 320.309 -0.052 50 20 DBGD COCc1nc2n(n1)C[C@@H](NC(=O)NNc1ncccn1)CC2 757788401 OQXFGVCFSRBJMF-VIFPVBQESA-N 318.341 -0.144 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCN(C)C1=O 771865164 AVMGGEIZJPINGW-SNVBAGLBSA-N 321.333 -0.300 50 20 DBGD C[C@H]1CN(C)C(=O)CN1C(=O)NNC(=O)Cc1cccnc1 782575655 OJIXMLCRGIZQLL-JTQLQIEISA-N 305.338 -0.473 50 20 DBGD COc1c(C(=O)NNC(=O)c2cnn[nH]2)cccc1[N+](=O)[O-] 793440500 FVXQGYIPCIBKAC-UHFFFAOYSA-N 306.238 -0.204 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1occ2c1CCC2 794823931 NBWOMTIXDCJMIC-VIFPVBQESA-N 312.347 -0.036 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CC1)c1ccc(Cl)nc1 822412587 VWGQYEFHDPIIIO-UHFFFAOYSA-N 307.701 -0.328 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C[C@H]1CCC(=O)N1 826774138 PIWFAUJENFAHQU-SECBINFHSA-N 307.306 -0.413 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)ccn1 832674279 CSGWMKSITDQJLS-WPRPVWTQSA-N 322.321 -0.399 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 843649391 UOERVYXDNCAQFO-VHSXEESVSA-N 318.395 -0.084 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)/C(C#N)=C/c1cnn(C)c1 843970973 NWGLGXVLRHQSJX-PNGCJYJHSA-N 303.322 -0.101 50 20 DBGD COC(=O)[C@@](C)(CO)NCC(=O)NNC(=O)c1ccc(C)cc1 852158292 UYSTVUOQZLPUTI-OAHLLOKOSA-N 323.349 -0.730 50 20 DBGD CC(C)C(=O)NNC(=O)CN(CCOCCO)C1CCC1 852290750 NXQUHEAHGXJDGR-UHFFFAOYSA-N 301.387 -0.347 50 20 DBGD C[C@]1(CNC(=O)NCCS(N)(=O)=O)C[C@H]1Br 856848574 HSZCBRFPCNXNPR-HTRCEHHLSA-N 314.205 -0.252 50 20 DBGD CC(C)[C@H](O)C1(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)CC1 858697296 RGMONDZXMKBPBO-KOLCDFICSA-N 312.370 -0.608 50 20 DBGD CCCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 858808343 FTKMZFRYWYJECL-VIFPVBQESA-N 308.342 -0.487 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)NC[C@@H]2COCCN2)cc1 861680637 KDVWQPKMENWRFA-GFCCVEGCSA-N 322.365 -0.307 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCC[C@@H](C2OCCO2)C1 863871998 JDNVIVNTWBOSDS-SNVBAGLBSA-N 323.129 -0.269 50 20 DBGD N#CCN1CCC(CNC(=O)c2cccc(B(O)O)c2)CC1 863874237 RQKUZSPFLALZJB-UHFFFAOYSA-N 301.155 -0.668 50 20 DBGD COC(=O)[C@H]1CCCCCN1C(=O)c1ccc(B(O)O)cc1 863879186 VUESQYYVHDOYBL-CYBMUJFWSA-N 305.139 -0.076 50 20 DBGD COC(=O)c1coc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c1 864231827 SWTIBEMVDFLIML-MRVPVSSYSA-N 303.101 -0.696 50 20 DBGD O=C(NNS(=O)(=O)C[C@@H]1CCCCO1)C1CCOCC1 882805634 NVZXKQFMFIWVMJ-NSHDSACASA-N 306.384 -0.067 50 20 DBGD Cc1nc(N2CCN(S(=O)(=O)CBr)CC2)n[nH]1 919486451 DTQJAWOHYFPSLB-UHFFFAOYSA-N 324.204 -0.083 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1coc(C2CC2)n1 1116685379 CFNNXKXEXCXDRL-MRVPVSSYSA-N 313.335 -0.252 50 20 DBGD CO[C@]1(C(=O)NNc2ccc(F)cn2)CCS(=O)(=O)C1 1119669423 MYXUKJRQGUSPTB-LLVKDONJSA-N 303.315 -0.133 50 20 DBGD NC(=O)Nc1cccc(C(=O)NNC(=O)C(=O)N2CCCC2)c1 1251401470 DPPKZYLUAUXEHL-UHFFFAOYSA-N 319.321 -0.439 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@H]1c1ccncc1 1263873266 NTACVWLKXQEYPT-NWDGAFQWSA-N 302.334 -0.045 50 20 DBGD CNC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)C1CC1 1320235079 OZFAMFQMEBJMBA-UHFFFAOYSA-N 318.333 -0.529 50 20 DBGD Cc1ccncc1/C=C\C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323729862 PCMADZFFUOAEDG-ZZKXABKFSA-N 323.374 -0.015 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)NCCCO[C@H]1CCOC1 1326007583 WZLNYCDPYIOVDO-SDDRHHMPSA-N 315.370 -0.063 50 20 DBGD COCCN(C)NC(=O)c1nnn(Cc2noc(C)n2)c1C 1326784244 NNWHRTOUGRTHSS-UHFFFAOYSA-N 309.330 -0.451 50 20 DBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[C@@H](B(O)O)C1 1330262059 KOZXHOXYJNLSLU-MRVPVSSYSA-N 305.099 -0.476 50 20 DBGD CCOc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]n1 1333781048 XDRUSJBJDIKFCR-SSDOTTSWSA-N 316.339 -0.996 50 20 DBGD O=C(NNC(=O)c1nnc(O)c2ccccc12)N[C@@H]1CCNC1 1335216305 JHGRVNOEHCWACL-MRVPVSSYSA-N 316.321 -0.359 50 20 DBGD C[C@@H](C(=O)NNc1ncccc1F)n1cnc(-c2nn[nH]n2)n1 1588998677 DAMGHAVZIGAXAG-LURJTMIESA-N 318.276 -0.303 50 20 DBGD O=C(O)CNC(=O)NN=C1CCS(=O)(=O)c2ccccc21 1610784032 VANSITGZAPAVQP-UHFFFAOYSA-N 311.319 -0.048 50 20 DBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)NCC1CC1 49166789 AIXXYQBTOXSPBZ-VIFPVBQESA-N 321.424 -0.353 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CN(C)CCO2)c1O 267994954 LIVPUCAYNXHSHZ-NSHDSACASA-N 309.322 -0.508 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)N2CCOCC2)s1 269995794 WCPDWQZOHSRPQR-UHFFFAOYSA-N 306.369 -0.313 50 20 DBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C)cc1C 272438533 KSUPWLWOUFCEPT-UHFFFAOYSA-N 315.351 -0.031 50 20 DBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNc1ncnc2nc[nH]c12 283780990 SUDHXSFPDYCTDG-ZETCQYMHSA-N 306.330 -0.121 50 20 DBGD CCOC(=O)c1ccc(NNC(=O)[C@H](CO)NC(N)=O)cc1C 298191250 BHTBCIQQFPKKCU-NSHDSACASA-N 324.337 -0.356 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CC1(N2CCOCC2)CCCC1 368940839 JUIQOXAEAJIXNI-UHFFFAOYSA-N 313.398 -0.060 50 20 DBGD CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(B(O)O)ccc2F)C1 584967377 UKXZQSRTIOZFFW-NSHDSACASA-N 322.145 -0.554 50 20 DBGD CN(C)CCn1nccc1NC(=O)c1ccc(B(O)O)cc1 584994771 NPSUJQWYAWYNBE-UHFFFAOYSA-N 302.143 -0.623 50 20 DBGD O=C([C@H]1COCCN1CC(F)(F)F)N1CC[C@H](B(O)O)C1 585065240 WGHLLGMHTZGQPM-DTWKUNHWSA-N 310.081 -0.675 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCCCNC1=O 728951233 COBAMYUDDUVOQP-NSHDSACASA-N 305.338 -0.377 50 20 DBGD C[C@@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)N(C)C 728953358 FEJUMIYDOMNTKT-SECBINFHSA-N 303.322 -0.021 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc2c1OCO2 764204353 SKBREWFKCMUTCK-UHFFFAOYSA-N 308.294 -0.937 50 20 DBGD CN(NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(N)=O 778415559 ZYYALLQOCLCUJX-UHFFFAOYSA-N 324.297 -0.564 50 20 DBGD CCNS(=O)(=O)c1ccc(C(=O)NN(C)C(N)=O)cc1 778417481 ACAAHYVHUSCDJC-UHFFFAOYSA-N 300.340 -0.360 50 20 DBGD CCCCNC(=O)NNC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O 779504101 ZIWAXNGSBCGFNI-WPRPVWTQSA-N 300.359 -0.608 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(C(=O)NC)CCC1 807371344 HAJPQXQMCYNSIL-UHFFFAOYSA-N 315.370 -0.161 50 20 DBGD O=c1n(CCCNS(=O)(=O)CCl)nc2n1CCCC2 820786276 AVPQIZYNBWUHAY-UHFFFAOYSA-N 308.791 -0.113 50 20 DBGD CN(CCc1ccccc1)CC(=O)NNC(=O)[C@H]1CCC(=O)N1 824856897 MGLCOBBRYREJMX-CYBMUJFWSA-N 318.377 -0.413 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2nnn(C(C)(C)C)n2)cn1 828087876 PKUAOMXWHATWEK-UHFFFAOYSA-N 306.330 -0.835 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)[C@]12CCC(=O)N1CCS2 843972418 GWMMNUPCRARBOH-MWODSPESSA-N 313.379 -0.376 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)N1 858300281 HCOILZVDWPVSPD-DBIOUOCHSA-N 310.354 -0.447 50 20 DBGD CCOC[C@@H](NC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(C)C 858386763 URVXQJKSJIGVAI-VHSXEESVSA-N 300.359 -0.344 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cc(F)c(F)c(O)c2F)N1 862461378 OQGMIYIGTXHZLQ-LURJTMIESA-N 317.223 -0.151 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cnc(C2(C)OCCO2)s1 863864563 KVXTYGANARZYML-UHFFFAOYSA-N 314.367 -0.315 50 20 DBGD CCOCCO[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 918147944 NJVFOXRCYIHURS-NEPJUHHUSA-N 322.427 -0.080 50 20 DBGD CC(C)(C=NNC(=O)[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O 1116380506 QFLSAPVXNPNALJ-QMMMGPOBSA-N 310.397 -0.654 50 20 DBGD Cn1c(C(=O)NNC(=O)CNC(=O)c2ccco2)cccc1=O 1116388100 XWINRPZJJKOWJY-UHFFFAOYSA-N 318.289 -0.831 50 20 DBGD COc1ccc(C(=O)NN(C)C(N)=O)cc1N1CCNC1=O 1116530999 VUOZADQVESLRHE-UHFFFAOYSA-N 307.310 -0.120 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)NCC(F)(F)F 1123773279 GNTUVQRADVZLQA-HTQZYQBOSA-N 309.292 -0.733 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)NCCN1CCCC1=O 1261510637 FZHKXPRCSAYAKJ-UHFFFAOYSA-N 306.326 -0.538 50 20 DBGD CCOC(=O)[C@H](CC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)C(C)=O 1261745518 LFNMDKDLJQKLKL-HBNTYKKESA-N 314.338 -0.283 50 20 DBGD Cc1cnc(S(C)(=O)=O)nc1C(=O)NNC(=O)NC1CC1 1347379337 GJEIKCQPKWQLJL-UHFFFAOYSA-N 313.339 -0.705 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 1347803989 BZBUAMSNGIMUEN-ZCFIWIBFSA-N 302.274 -0.089 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)ccn2)n[nH]1 1591929989 IPEGSJWDJHQCEG-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD O=C(Cn1cccc(C(=O)O)c1=O)NNc1ncncc1F 1601388080 QATMZEQUBBPISF-UHFFFAOYSA-N 307.241 -0.381 50 20 DBGD O=C(NNc1ccc(F)c(C(=O)O)c1)c1ccc(B(O)O)cc1 1601556879 NKCFZAHEZWGATM-UHFFFAOYSA-N 318.069 -0.039 50 20 DBGD O=C(O)CC1(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)CCC1 1606071516 FMMHIGNLANSVTH-VIFPVBQESA-N 321.337 -0.367 50 20 DBGD O=C(O)Cn1cccc(C(=O)NNc2ncc(F)cn2)c1=O 1606355365 QDMIOOBNPIEHKS-UHFFFAOYSA-N 307.241 -0.381 50 20 DBGD O=C(NNC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1nc[nH]c2ncnc1-2 1608478993 FHHSCPYNRRWCHM-OLQVQODUSA-N 304.266 -0.824 50 20 DBGD CC(C)C(=O)NNC(=O)CN1CCSC[C@H](C(=O)O)C1 1609682739 IYJOEWLVQDTBEM-SECBINFHSA-N 303.384 -0.461 50 20 DBGD O=C(NNC(=O)N1CCOCC1)c1ccc(-n2cnnc2)cc1 263892417 LRLMMWSKYOTUFU-UHFFFAOYSA-N 316.321 -0.046 50 20 DBGD CN1N=C(C(=O)NNC(=O)COc2ccccc2O)CCC1=O 264517551 MGLODSPEIDIUPI-UHFFFAOYSA-N 320.305 -0.473 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)[C@@H]2COCCO2)c2ccccc2N1 266706156 QOGRDFICTBKYAG-JQWIXIFHSA-N 319.317 -0.325 50 20 DBGD Cn1ccnc(NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1=O 365831336 AXFMCCBQWBGEDT-LLVKDONJSA-N 314.301 0.005 50 20 DBGD C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(B(O)O)c(F)c1 584931708 FIEKWWDAAMTLHH-WPRPVWTQSA-N 308.118 -0.769 50 20 DBGD CN(C)CCN1CCC(NCc2cccc(B(O)O)c2)CC1 585018352 VHZZCBGRESECEC-UHFFFAOYSA-N 305.231 -0.518 50 20 DBGD CN(C)C(=O)[C@@H]1CC[C@H](CNCc2cccc(B(O)O)c2)O1 585034538 MDEXCEIMPCVRSV-KGLIPLIRSA-N 306.171 -0.908 50 20 DBGD O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccccc1O 725903895 KFQNOTNMKSRILT-VIFPVBQESA-N 312.347 -0.022 50 20 DBGD NC(=O)C[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1 747500152 HNHMMVDCIVXASM-GFCCVEGCSA-N 319.365 -0.048 50 20 DBGD NC(=O)c1ccc(NNC(=O)[C@@H]2COc3ccccc3O2)nn1 757402220 KQBVAEVYAQCNLZ-NSHDSACASA-N 315.289 -0.141 50 20 DBGD CNC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 759164590 VSQCPEITCZRSOL-UHFFFAOYSA-N 304.284 -0.274 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 759773760 QIMGSJARJJWNOL-RKDXNWHRSA-N 300.359 -0.214 50 20 DBGD COC(=O)C[C@]1(NCC(=O)NNC(=O)C2CC2)CCCOC1 770700921 RHSWWNBBCKEXIS-CQSZACIVSA-N 313.354 -0.754 50 20 DBGD CS(=O)(=O)C1(C(=O)NNC(=O)N2CCOCC2)CCC1 793273635 PLNKKERBZBYUKK-UHFFFAOYSA-N 305.356 -0.973 50 20 DBGD CN(C)S(=O)(=O)CCC(=O)NNC(=O)NCC(F)(F)F 798314892 FPIAEYFFEAFNCW-UHFFFAOYSA-N 320.293 -0.839 50 20 DBGD Cc1[nH]c(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)O 800812699 KQFTWLNIIHYPTG-SSDOTTSWSA-N 316.339 -0.591 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 810112342 QXOOYNGXJDUGHX-BBBLOLIVSA-N 305.400 -0.560 50 20 DBGD CN(C)c1cc(NC(=O)NNC(=O)Cc2cc[nH]n2)ncn1 810223746 PGQVRWZSWROVII-UHFFFAOYSA-N 304.314 -0.339 50 20 DBGD O=C(CN1CCNCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 834602779 UWHZQJKFQMDPBR-UHFFFAOYSA-N 307.310 -0.739 50 20 DBGD C[C@@H]1OC(=O)N[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 841376841 XLPWTTZRJFRDAI-WRWORJQWSA-N 311.269 -0.151 50 20 DBGD CC1=C(C(=O)NNc2cnccn2)[C@@H](C)n2nnnc2N1C 847755487 YWNCOHUSMDUORE-MRVPVSSYSA-N 301.314 -0.109 50 20 DBGD COC1CCN(S(=O)(=O)NNC(=O)[C@H]2CCO[C@H]2C)CC1 849308382 MSSBBYNKYAVLQT-ONGXEEELSA-N 321.399 -0.612 50 20 DBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)OCC(F)(F)F 856018583 CXTRYKQBEGCXQD-YFKPBYRVSA-N 321.277 -0.366 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccn(CC(F)F)n2)N1 860735376 HOAQHIOKPVNZOH-LURJTMIESA-N 316.268 -0.421 50 20 DBGD CCOC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)C 862452246 UXUHLCFBLQNHCY-SCZZXKLOSA-N 314.342 -0.817 50 20 DBGD CO[C@@H](CC(C)C)CS(=O)(=O)NNC(=O)[C@H]1CCC(=O)N1 863412339 DCXCTAXUWJBDPR-VHSXEESVSA-N 321.399 -0.723 50 20 DBGD COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cccc(B(O)O)c1 863879716 YTESLKMDFRWDOI-GWCFXTLKSA-N 305.139 -0.220 50 20 DBGD CC(=O)N1C[C@H](C(=O)N2CC[C@H](B(O)O)C2)Oc2ccccc21 864232568 AGNHOGQMOYLAGU-SMDDNHRTSA-N 318.138 -0.124 50 20 DBGD C[C@H](O)CN(C)NC(=O)c1cccn1CCN1CCOCC1 910145859 WZXORZCOOXUICG-ZDUSSCGKSA-N 310.398 -0.222 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H]1COc2c(cccc2OC)C1 1318942181 OSDVXBYNEFOBQZ-VIFPVBQESA-N 323.305 -0.498 50 20 DBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1320072144 QKDRGFYKBINMGM-JTQLQIEISA-N 305.338 -0.330 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cccc2c1COC2=O 1323737409 NLHYQEKGPKUGHZ-UHFFFAOYSA-N 307.262 -0.911 50 20 DBGD NC(=O)COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1 1325321859 UIFBQVLDKXIDLF-UHFFFAOYSA-N 317.305 -0.723 50 20 DBGD CCOCC(=O)NNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1328685290 IICDELHQBOPYCE-JTQLQIEISA-N 310.358 -0.634 50 20 DBGD CCC(=O)N[C@H](CCSC)C(=O)NNc1cnnn1C 1331392471 IYLVVBLIAQZVLX-MRVPVSSYSA-N 300.388 -0.094 50 20 DBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NN(C)C[C@@H](C)O)c2C1 1333348337 XLCIJXBAPUTAMF-PWSUYJOCSA-N 323.397 -0.461 50 20 DBGD CC(=O)Nc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1 1337039098 UGKYOFZNBBUXFK-UHFFFAOYSA-N 306.322 -0.069 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1coc2c1C(=O)CCC2 1351667473 QYVMMXPITAQFDC-UHFFFAOYSA-N 314.319 -0.396 50 20 DBGD Cc1cc(-c2nn[nH]n2)cc(C)c1C(=O)NNC(=O)CN(C)C 1591838246 CUURWCSKDVIRRN-UHFFFAOYSA-N 317.353 -0.194 50 20 DBGD Cc1oc(C(=O)O)cc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 1600833581 ALXXGTWHEMKHBK-SSDOTTSWSA-N 303.101 -0.476 50 20 DBGD COC(=O)NCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 1604952954 RANIZJWHTVTTEF-UHFFFAOYSA-N 324.301 -0.223 50 20 DBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc[n+]([O-])cc1 49949930 GUZMEGMIQVNPGF-CYBMUJFWSA-N 315.285 -0.079 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 264155662 RHXKOESJTNGOMF-MRVPVSSYSA-N 315.351 -0.606 50 20 DBGD CC(C)CC(=O)NCCC(=O)NNC(=O)C(=O)NC(C)C 265899476 CVFRQIAWKSUWHE-UHFFFAOYSA-N 300.359 -0.789 50 20 DBGD CC(C)N(C)CC(=O)NNC(=O)CNC(=O)c1cccnc1 268771868 BNIDIGLCCZYQEA-UHFFFAOYSA-N 307.354 -0.701 50 20 DBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1ccccn1 288311770 CQKPSDVDJAKHFP-UHFFFAOYSA-N 315.351 -0.155 50 20 DBGD O=C(CNC(=O)c1ccco1)NNC(=O)C12CCCN1CCC2 289646047 DBAGZCUMHXVDDC-UHFFFAOYSA-N 320.349 -0.215 50 20 DBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 298693897 ZYNNMVPGBJVLLD-NEPJUHHUSA-N 316.321 -0.152 50 20 DBGD CNC(=O)CC1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584954495 JMCYXGIPNKELFJ-UHFFFAOYSA-N 322.145 -0.506 50 20 DBGD CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(B(O)O)ccc2F)C1 584967376 UKXZQSRTIOZFFW-LLVKDONJSA-N 322.145 -0.554 50 20 DBGD OB(O)c1ccc(CNCCCN2CCC(O)CC2)c(F)c1 585018601 MVYUSHSOOSUQHN-UHFFFAOYSA-N 310.178 -0.558 50 20 DBGD CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)NS(C)(=O)=O 731761722 ZZGVOXBCTMDOCO-UHFFFAOYSA-N 317.371 -0.714 50 20 DBGD CCOCC(=O)NNC(=O)NCCc1cccc(C(=O)NC)c1 741091810 CGLNDBUUPUIPIC-UHFFFAOYSA-N 322.365 -0.044 50 20 DBGD COc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C#N 741764634 SAJOSDLQLGNUAL-VIFPVBQESA-N 324.362 -0.045 50 20 DBGD COC[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)C(C)C 745849759 RJCWKMLRIFZCPD-SNVBAGLBSA-N 300.359 -0.390 50 20 DBGD Cc1ccc(C(=O)NNC(=O)NC[C@H]2CN(C)CCN2C)o1 752374407 NYHSUJCGPQDRGX-NSHDSACASA-N 309.370 -0.222 50 20 DBGD NC(=O)c1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)cc1 755515388 LTKXNQHWMIQCOM-UHFFFAOYSA-N 302.294 -0.096 50 20 DBGD O=C(CCC(=O)NC1CCCC1)NNC(=O)N1CCOCC1 755773052 BDGKWWANFAPKNB-UHFFFAOYSA-N 312.370 -0.102 50 20 DBGD COc1ncc(C)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764204290 KHBNBRHITHEAQI-UHFFFAOYSA-N 309.326 -0.954 50 20 DBGD CN(NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(N)=O 770438207 NKUWCDWASOUFCE-UHFFFAOYSA-N 312.351 -0.217 50 20 DBGD Cc1cc(C)nc(-n2nccc2NC(=O)NNC(=O)CO)n1 789307364 XTXOPRXLRMYQPS-UHFFFAOYSA-N 305.298 -0.576 50 20 DBGD COC(=O)c1c(F)ccc(NC(=O)NNC(=O)CO)c1F 810338539 AOSWKYUDBMFLFD-UHFFFAOYSA-N 303.221 -0.104 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(CN2CCCC2)on1 812502205 HKRNYMCJTBSIGG-UHFFFAOYSA-N 318.337 -0.003 50 20 DBGD CCn1cc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)nn1 821738004 RYZYAQKMKLHFOZ-UHFFFAOYSA-N 320.357 -0.358 50 20 DBGD CC1(C)NC(=O)N(CC(=O)NNc2ccc(C(=O)O)cn2)C1=O 833562759 YMDXQPZLXQZGKM-UHFFFAOYSA-N 321.293 -0.447 50 20 DBGD CSCCNC(=S)NNC(=O)[C@H]1CCCS1(=O)=O 847643296 XNRVCDMARFCDKQ-SSDOTTSWSA-N 311.454 -0.578 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 854283019 DTKYMZXIYOKEIU-UHFFFAOYSA-N 316.343 -0.195 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ncc(Cl)cn1 857730692 VYHCHKHSSSJVSP-UHFFFAOYSA-N 322.778 -0.689 50 20 DBGD CCO[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)C1CC1 859062949 LJXURGXGSIRDTE-LBPRGKRZSA-N 309.322 -0.028 50 20 DBGD COc1cccc(OC)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862457877 SPSCIBCIXMQNDP-QMMMGPOBSA-N 307.306 -0.257 50 20 DBGD Cn1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(O)nc1=O 915058087 ONRMCQYWPMBROV-UHFFFAOYSA-N 320.280 -0.371 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)Cc1cn2ccccc2n1 1116468782 PTUFIJTYKZYJNK-UHFFFAOYSA-N 304.310 -0.917 50 20 DBGD O=C(NNC(=O)N1CCO[C@@H](C(F)F)C1)c1cccnn1 1262033223 TUJKFZRKGXTGEC-MRVPVSSYSA-N 301.253 -0.203 50 20 DBGD CNC(=O)NNC(=O)CCc1c(C)nc2[nH]n(C)c(=O)c2c1C 1318548045 GUVDTMIOIZOFHI-UHFFFAOYSA-N 320.353 -0.229 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 1318878059 VZOUPNDNCMGYBL-ZJUUUORDSA-N 300.359 -0.390 50 20 DBGD COC(=O)C(=O)NNC(=O)NCCOc1ncccc1Cl 1319153664 NWEOMXWXNMKTIP-UHFFFAOYSA-N 316.701 -0.383 50 20 DBGD CN(C)Cc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1320357519 CZHAAWJLLJEEIF-UHFFFAOYSA-N 308.338 -0.784 50 20 DBGD O=C(CCc1ccco1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1321949037 XYZJRUZAAHCMED-VIFPVBQESA-N 315.351 -0.270 50 20 DBGD Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@@H](B(O)O)C1 1329214554 HFDPPXZLGILVLQ-SNVBAGLBSA-N 303.131 -0.397 50 20 DBGD CCc1noc(CCCC(=O)NNC(=O)CS(C)(=O)=O)n1 1335365674 CQZRMJWFBFRRGE-UHFFFAOYSA-N 318.355 -0.853 50 20 DBGD CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)[C@@H]1CCN1 1574998986 VRWMZWISYBUQFE-QBQSQJOESA-N 308.363 -0.266 50 20 DBGD CNS(=O)(=O)NCC(=O)NNc1ccc(C(=O)O)cc1F 1598671297 OOIUOGUGGPEFBK-UHFFFAOYSA-N 320.302 -0.979 50 20 DBGD CO[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H](C(=O)O)C1 1599122099 LHGHZNWHEXCLSM-RYUDHWBXSA-N 307.111 -0.929 50 20 DBGD O=C(NNC(=O)C1(C(=O)O)CCSCC1)[C@@H]1COCCO1 1605814802 UJPGPAGMVOMBCH-QMMMGPOBSA-N 318.351 -0.853 50 20 DBGD C/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800457367 NADLHAPUNKYTKY-LZTARTRTSA-N 316.785 -0.248 50 20 DBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccccc1 21325812 DBHVOUSYUKCQOC-UHFFFAOYSA-N 322.346 -0.253 50 20 DBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNc1cnccn1 265237779 ZLGQHLGBEHUMDC-WTTBSCSTSA-N 313.317 -0.273 50 20 DBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2cccnn2)C1 265585370 ZANUYBWWEZNQGA-JTQLQIEISA-N 313.383 -0.019 50 20 DBGD C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NC(N)=O 273205072 JCULHKRRQJXJGP-RQJHMYQMSA-N 317.346 -0.896 50 20 DBGD CN1C(=O)c2ccc(C(=O)NNC(=O)C(C)(C)O)cc2C1=O 276299655 SPNYZJLFTBFAJN-UHFFFAOYSA-N 305.290 -0.556 50 20 DBGD COC(=O)c1cccc(NNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c1 281074333 DOPVWNKWTYJWPT-MNOVXSKESA-N 307.306 -0.051 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)[C@@H]1CCCO1 294094924 RLTCJUQGTDBIOC-VIFPVBQESA-N 311.298 -0.184 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C[C@@H]1CCCC(=O)N1 377836254 ZYYSGECVTRCQQW-JTQLQIEISA-N 315.370 -0.018 50 20 DBGD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)CCCCl)C1 400124450 NHNJKFSSILXDPO-QMMMGPOBSA-N 304.821 -0.431 50 20 DBGD CCCN(CC(=O)N(C)C)C(=O)c1cc(B(O)O)ccc1F 584933447 HHQLPYDOWUVPRM-UHFFFAOYSA-N 310.134 -0.554 50 20 DBGD C[C@@H](CCN1CCOCC1)NC(=O)c1ccc(B(O)O)cc1 584942989 ARLWMPMFWMUPQZ-LBPRGKRZSA-N 306.171 -0.793 50 20 DBGD CCCN1CCN(C(=O)c2ccc(B(O)O)cc2)C(C)(C)C1=O 584973207 DPOKBZKORDMURY-UHFFFAOYSA-N 318.182 -0.161 50 20 DBGD COCCO[C@H]1CCN(C(=O)c2cc(B(O)O)ccc2F)C1 584976189 HRVPOQWSFSJATG-NSHDSACASA-N 311.118 -0.617 50 20 DBGD C[C@H]1CN(C(=O)c2ccc(B(O)O)c(F)c2)C[C@H](C)S1=O 584980977 PQSQOHRXDXKNPA-IUCAKERBSA-N 313.159 -0.513 50 20 DBGD CC(C)(C)N1CC[C@@H](NC(=O)c2cc(B(O)O)ccc2F)C1=O 584999504 BZFYVJYXISBMCS-GFCCVEGCSA-N 322.145 -0.365 50 20 DBGD O=C(CCNCc1ccccc1B(O)O)NCc1ccncc1 585020662 FPHWSLRGAHQYDU-UHFFFAOYSA-N 313.166 -0.443 50 20 DBGD NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)C2CC2)cc1 749401015 WSWQZPTXDCCMAE-UHFFFAOYSA-N 313.335 -0.730 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cnns1 751206812 UPZHYUILKWRDHZ-UHFFFAOYSA-N 311.348 -0.209 50 20 DBGD CCOC(=O)c1cnc(C(=O)NNC(=O)CO)c(Cl)c1 753438866 JRIQASVGXQGKOV-UHFFFAOYSA-N 301.686 -0.335 50 20 DBGD CCn1cc(-c2nn(C)cc2C(=O)NNC(=O)C(C)(C)O)cn1 768259252 GRVPVGQAQLRSLM-UHFFFAOYSA-N 320.353 -0.165 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccccc1F 783999906 MEGOZMCHVOCEKO-UHFFFAOYSA-N 322.296 -0.466 50 20 DBGD Cn1nncc1C(=O)NNC(=O)Cc1nc2ccccc2n1C 798827991 HMGSSANTRNOXOO-UHFFFAOYSA-N 313.321 -0.295 50 20 DBGD N#CCNC(=O)CNC(=O)NNC(=O)CCCc1ccccc1 805059670 AINZFLZCIWGVRH-UHFFFAOYSA-N 317.349 -0.021 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1C[C@H](C)S(=O)(=O)[C@H](CC)C1 805771825 BAMAYOKVXQRKAR-GARJFASQSA-N 319.427 -0.170 50 20 DBGD CN1CCN(C(=O)NNC(=O)CCCn2ccccc2=O)CC1 807380558 XPBAVIVKPCYNTF-UHFFFAOYSA-N 321.381 -0.383 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)CC1CC1)n1cccn1 819114320 FMWFMVXJLCANMQ-SNVBAGLBSA-N 307.354 -0.150 50 20 DBGD CN1CCN(C(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 819721383 RGTQXESMERVAJU-VIFPVBQESA-N 314.390 -0.942 50 20 DBGD COc1ncccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 832693665 WTZTXJDMZCPHNF-DTWKUNHWSA-N 322.321 -0.399 50 20 DBGD O=C(CN[C@]1(C(=O)O)CCOC1)NNC(=O)c1ccccc1 833765015 SPHOZBKUEKKIGB-CQSZACIVSA-N 307.306 -0.719 50 20 DBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCCO2)C1=O 836320167 YRDNEHBWPHVLPE-MNOVXSKESA-N 312.370 -0.105 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cnc2n(c1=O)CCS2 843975692 OEJSRSVXUADWRT-JGVFFNPUSA-N 324.362 -0.465 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)Nc2ccn(CC(F)F)n2)N1 860735377 HOAQHIOKPVNZOH-ZCFIWIBFSA-N 316.268 -0.421 50 20 DBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2CCC(=O)N2)c1F 861947547 ZBMPDNFJOIKUMC-SECBINFHSA-N 322.296 -0.501 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2F)N1 862460477 FEMGLQYFHZYOBC-SECBINFHSA-N 310.241 -0.227 50 20 DBGD CC(C)(O)CN1CCC(=NNC(=O)CS(C)(=O)=O)CC1 863185894 GRSWCGICGNCNBU-UHFFFAOYSA-N 305.400 -0.630 50 20 DBGD C[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccco1 863866572 VYBQEMJYBKSOTM-DTWKUNHWSA-N 317.367 -0.142 50 20 DBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cn(C)nc1C 920384543 MUYGNLMAEVIFQJ-SNVBAGLBSA-N 313.383 -0.061 50 20 DBGD CS(=O)(=O)CCOCCNC(=O)NNc1cccnn1 1318783976 FFJVHEZMBWQUNG-UHFFFAOYSA-N 303.344 -0.836 50 20 DBGD O=C(CCc1nc[nH]n1)NNC(=O)Cc1cn2ccccc2n1 1318955912 DOFHIRWUZQSETB-UHFFFAOYSA-N 313.321 -0.225 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1c(C)ncnc1O 1320491593 OZSACSPLEKCYRS-SECBINFHSA-N 324.337 -0.088 50 20 DBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)C1 1321307723 VBRVSAHRKRLGGB-VIFPVBQESA-N 306.326 -0.553 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@H]1CCCC12CCOCC2 1322675851 UOJZZEBCLBFMKB-NSHDSACASA-N 324.381 -0.055 50 20 DBGD N#Cc1ccc(OCC(=O)NNC(=O)CO[C@H]2CCOC2)cc1 1323527549 VEYMPEDZJDOHCL-ZDUSSCGKSA-N 319.317 -0.110 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNC(=O)c1n[nH]c2c1CCCC2 1329173054 MGNSXLOIWQTLAT-NSHDSACASA-N 307.354 -0.180 50 20 DBGD COC(=O)C(=O)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1 1329439534 KWBVKKHHCLPBBJ-UHFFFAOYSA-N 319.726 -0.390 50 20 DBGD Cc1noc(C)c1[C@@H](C)NC(=O)NNC(=O)[C@H]1CCC(=O)N1 1334906671 AOMWQKXXIJTBRG-HZGVNTEJSA-N 309.326 -0.039 50 20 DBGD CC(=NNC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1cc(CO)on1 1549319940 JQFGJAUWIDNDTR-GWCFXTLKSA-N 308.338 -0.130 50 20 DBGD COc1ccc([C@H](CC(=O)NNC(=O)CCN)NC(C)=O)cc1 1579195286 UJTRSYRYTHPJEQ-ZDUSSCGKSA-N 322.365 -0.241 50 20 DBGD O=C(NN=C1COCCOC1)c1ccc(-c2nn[nH]n2)cc1 1593155195 DWRZFGHDWFEAOJ-UHFFFAOYSA-N 302.294 -0.001 50 20 DBGD COc1ccc2c(c1)C(=NNC(=O)NCC(=O)O)C(=O)N2C 1599626381 QDQIJHUFIAETDD-UHFFFAOYSA-N 306.278 -0.241 50 20 DBGD O=C(O)Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1602125146 RMVMZVDOMVXLBZ-SNVBAGLBSA-N 320.305 -0.255 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCCCN1C(=O)CNC1=O 264499155 PQHBPYQDZFUPFR-UHFFFAOYSA-N 313.358 -0.305 50 20 DBGD N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCN(CC(N)=O)CC1 275093740 HJYSQNKXIGWKAB-LCYFTJDESA-N 314.345 -0.071 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cccc(C(N)=O)c2)CC1 278519731 BWTNLOHEUWOTLT-UHFFFAOYSA-N 305.338 -0.613 50 20 DBGD Cn1c(NNC(=O)C[C@H]2COCCN2)nc2ccccc2c1=O 285708745 RRBWXGUYMJXXSP-JTQLQIEISA-N 317.349 -0.245 50 20 DBGD CCN1CCO[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)C1 366528387 XPESCLKBQRWHQL-NEPJUHHUSA-N 319.427 -0.801 50 20 DBGD CCOC(=O)[C@H]1CCCN1S(=O)(=O)NN(C)C(=O)OC 495916501 XFYJSRICISLCBM-MRVPVSSYSA-N 309.344 -0.539 50 20 DBGD C[C@H](C(=O)NNC(=O)CO)C1CN(C(=O)OC(C)(C)C)C1 497062288 JFADLIGWXZLBSC-QMMMGPOBSA-N 301.343 -0.371 50 20 DBGD CN(C)CCCN(CCC#N)C(=O)c1ccc(B(O)O)cc1 584934128 PFQKSRJXRDDAOU-UHFFFAOYSA-N 303.171 -0.326 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN(C[C@H]2CCOC2)CC1 584961317 QILGAOMCLXVMNL-CYBMUJFWSA-N 318.182 -0.839 50 20 DBGD CC1CCN(C[C@H](O)CNCc2ccccc2B(O)O)CC1 585021047 FGJABROMSOAVJT-OAHLLOKOSA-N 306.215 -0.451 50 20 DBGD CC(C)OCCN1CCC(NCc2ccc(B(O)O)o2)CC1 585026086 IJNWSIPXYJYPOT-UHFFFAOYSA-N 310.203 -0.062 50 20 DBGD COc1ccsc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 729945362 HNMITQWCOBWJGH-SSDOTTSWSA-N 318.376 -0.048 50 20 DBGD COCCOCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 737005270 FRXTZGBJVAEBLF-UHFFFAOYSA-N 320.309 -0.709 50 20 DBGD O=C(O)CSCC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 740485686 WTZYCIUNFZUYNM-JTQLQIEISA-N 310.331 -0.045 50 20 DBGD COC[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 745322348 UEWNHRIZNLBGCL-OAHLLOKOSA-N 324.333 -0.303 50 20 DBGD NC(=O)c1cccc(NC(=O)NNC(=O)Cc2ccncc2)n1 757738212 MCMBUGJGRKUZBC-UHFFFAOYSA-N 314.305 -0.029 50 20 DBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1ccncc1 761138716 RILZVBNKQFDRNS-UHFFFAOYSA-N 314.367 -0.438 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C(C)(C)C(N)=O 767468740 FWZNEQBBNKSBMV-UHFFFAOYSA-N 303.322 -0.085 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H](C)N1CCN(C)CC1 770241123 UUEQRDDIFOSTIF-SNVBAGLBSA-N 319.500 -0.519 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C)C1 771991315 XTGOTFCFMZPXSN-VHSXEESVSA-N 313.354 -0.410 50 20 DBGD CC(=O)N(C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 823967256 KVCCZXPIDIXNNZ-UHFFFAOYSA-N 324.732 -0.164 50 20 DBGD COCCN(C)NC(=O)CC1CCN(S(C)(=O)=O)CC1 848056273 OUXSSPSXGORIJD-UHFFFAOYSA-N 307.416 -0.343 50 20 DBGD C[C@H](NNC(=O)CN1CCS(=O)(=O)CC1)C(F)(F)F 862309809 PGKFXWWNVJHLIU-ZETCQYMHSA-N 303.306 -0.712 50 20 DBGD C[C@@H](NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(F)(F)F 862314328 ZQCMLLLXSXPYOV-BDAKNGLRSA-N 310.320 -0.032 50 20 DBGD CC(C)n1c(S)nnc1CNC(=O)c1ccc(B(O)O)cc1 863874096 MTWQVVDTVGKPII-UHFFFAOYSA-N 320.183 -0.243 50 20 DBGD CC(=O)CCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155947 ITVWDRUVVVDFIL-UHFFFAOYSA-N 302.294 -0.208 50 20 DBGD O=C(NCCO[C@@H]1CCOC1)NNC(=O)[C@H]1CCCCO1 927521642 DVMGKSPLQODIGY-GHMZBOCLSA-N 301.343 -0.309 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)[C@H]1CCc2nncn2C1 1117715589 CMKATQLEIGCNGV-NSHDSACASA-N 300.322 -0.374 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H](C)S(C)(=O)=O)cc1 1317899306 VOVOXALHTFYJRI-QMMMGPOBSA-N 300.336 -0.111 50 20 DBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)CC(F)(F)F 1318343566 ZSVHXFUGYZGEFF-UHFFFAOYSA-N 318.215 -0.829 50 20 DBGD Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)C(=O)NC(C)C 1318697669 SYNSMHXEQYEGQQ-SECBINFHSA-N 323.397 -0.112 50 20 DBGD O=C(CCCCc1cnn[nH]1)NNC(=O)C(=O)N1CCCC1 1320415108 LKTXEGWGPWAKCZ-UHFFFAOYSA-N 308.342 -0.713 50 20 DBGD COc1cccc(C[C@@H](O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 1320618774 LXATZPACOGDDSY-CYBMUJFWSA-N 318.333 -0.288 50 20 DBGD O=C(Cc1cccnc1)NNC(=O)NCCC1(O)CCOCC1 1323265740 RMLOTWDISIVNGL-UHFFFAOYSA-N 322.365 -0.114 50 20 DBGD O=C(NNC(=O)N1CCC[C@@H](n2ccnn2)C1)c1cn[nH]c1 1328731732 QGNMPLLCQFVXEH-SNVBAGLBSA-N 304.314 -0.307 50 20 DBGD CCn1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)n1 1331296198 LJNPLLNPPMGFCK-VIFPVBQESA-N 314.367 -0.593 50 20 DBGD CC1(C)[C@@H](C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)C[C@H]1N 1576371850 NLRWIYVAKZWTAJ-FRRDWIJNSA-N 324.425 -0.240 50 20 DBGD O=C(Cc1ccc(-c2nn[nH]n2)nc1)NNC(=O)c1ccncc1 1582139609 XMXHZQMOKPOUBX-UHFFFAOYSA-N 324.304 -0.340 50 20 DBGD C[C@@H](CC(=O)O)C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1592360338 UKYISIDYZLTKMJ-GXSJLCMTSA-N 313.354 -0.502 50 20 DBGD Cc1onc(CC(=O)NNc2cccnn2)c1-c1nn[nH]n1 1592516534 SIDIWINRQLFRRV-UHFFFAOYSA-N 301.270 -0.361 50 20 DBGD O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NNC(=O)C1CCOCC1 1608314253 PQKBTZVGTGQZCV-WDEREUQCSA-N 314.338 -0.170 50 20 DBGD O=C(NCc1cc2c(nc1O)CCCC2)NNC(=O)C(=O)O 1608462939 ZJEHFCCJKSOXLH-UHFFFAOYSA-N 308.294 -0.419 50 20 DBGD C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783914242 SUZHEXHBLAGUGH-RISCZKNCSA-N 316.785 -0.008 50 20 DBGD O=C(NNC(=O)c1nc(=O)[nH][nH]1)c1cc(-c2cccs2)n[nH]1 151106477 WSJAPZNMRHDMJA-UHFFFAOYSA-N 319.306 -0.376 50 20 DBGD CN1C[C@H](NC(=O)NNC(=O)Cc2ccccc2F)CC1=O 267498047 LUPWTLSBFNKUSP-SNVBAGLBSA-N 308.313 -0.071 50 20 DBGD O=C(NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CCC1 275768935 VUNZCNFVLADHOZ-NEPJUHHUSA-N 318.333 -0.095 50 20 DBGD CC(C)NC(=O)C[C@@H](C)NC(=O)c1cc(B(O)O)ccc1F 584952886 PXBGWTDNQIEDOQ-SECBINFHSA-N 310.134 -0.462 50 20 DBGD Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc(B(O)O)c1 584976963 UWNDIMUPYMBRMT-HNNXBMFYSA-N 314.150 -0.081 50 20 DBGD O=C(N[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)C1)C1CC1 585008750 QYSWMKZGEBHCLU-NSHDSACASA-N 320.129 -0.754 50 20 DBGD CN1CCN(CC(=O)NNC(=O)COc2ccccc2F)CC1 732257384 MGQANTANSJCARB-UHFFFAOYSA-N 324.356 -0.401 50 20 DBGD CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1 741426253 QOQNUOWKTQQVIN-BBBLOLIVSA-N 310.354 -0.591 50 20 DBGD CN(C)c1ccc(NC(=O)NNC(=O)CCNC(N)=O)cc1 743828776 FXOMPGREWXVAMP-UHFFFAOYSA-N 308.342 -0.036 50 20 DBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)C1CCCC1 746972101 HDSXTAZGMZMXLF-UHFFFAOYSA-N 320.415 -0.165 50 20 DBGD COC(=O)C1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 754942367 BUGHLNDXQAOQFH-VEDVMXKPSA-N 319.383 -0.241 50 20 DBGD CCOC(=O)Cc1cccc(NC(=O)C(=O)NNC(C)=O)c1 763511398 CBZBUOPWYZUZAB-UHFFFAOYSA-N 307.306 -0.102 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1cccn2c(O)nnc12 770550562 WIZPZRHAYGLNNE-UHFFFAOYSA-N 300.278 -0.152 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCN(C(C)=O)C1 772163037 IRROUSXALTYHON-XPTSAGLGSA-N 313.354 -0.266 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCSC[C@H]1C(N)=O 773566069 CBQIHKZOVYVDHA-UWVGGRQHSA-N 316.427 -0.529 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CN(CCO)CCCO)c1 777583510 PVPSXLPHSHKBAN-UHFFFAOYSA-N 309.366 -0.567 50 20 DBGD CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccccc2)CC1 788167155 WWJKOPCSUGDKQR-UHFFFAOYSA-N 319.365 -0.595 50 20 DBGD CC[C@@H](C(=O)NNc1nc(O)c2cnn(C)c2n1)C(=O)OC 790639835 MMOYNPNUQCVVJN-LURJTMIESA-N 308.298 -0.289 50 20 DBGD CC[C@H](C)[C@H](OC)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 792857131 JQYQAWQGEQBTCK-AEJSXWLSSA-N 306.384 -0.370 50 20 DBGD O=CN1CCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 820114385 NKYJUWRXVIDFDA-LLVKDONJSA-N 319.317 -0.160 50 20 DBGD C=CCn1cc(CNC(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)nn1 826992795 FJKTWYSBFKBDLX-MWLCHTKSSA-N 308.342 -0.281 50 20 DBGD O=C(O)CCN(CC(=O)NNC(=O)C1CC1)C1CCOCC1 833231887 DCPIDMGYROLWMM-UHFFFAOYSA-N 313.354 -0.501 50 20 DBGD C[C@]1(C(=O)NNC(=O)CNC(=O)c2cccnc2)CCCCO1 839705428 FZGDZIKSNFYFSP-OAHLLOKOSA-N 320.349 -0.082 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(C)(C)S(=O)(=O)C1CC1 843655009 LNWSIXXJDVPBGH-WCBMZHEXSA-N 318.395 -0.085 50 20 DBGD O=C(Cn1nc2n(c1=O)CCCC2)NNC(=O)CC(F)(F)F 846633120 XTFHGWLWPAIXBP-UHFFFAOYSA-N 321.259 -0.519 50 20 DBGD NS(=O)(=O)N1CCC[C@H](C(=O)NCC(Cl)Cl)C1 854450144 BLDGMIYAUFSFBQ-LURJTMIESA-N 304.199 -0.178 50 20 DBGD Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 858696933 LUDFUDKAOKIRLT-NEPJUHHUSA-N 320.349 -0.363 50 20 DBGD CCOC(=O)C1(CC(=O)NNC(=O)[C@H]2CCC(=O)N2)CCC1 862459347 RPNUNJVRBIGALB-SECBINFHSA-N 311.338 -0.464 50 20 DBGD CN(C)C1(C(=O)NNc2nccc(N3CCOCC3)n2)CC1 863896906 LGIKUULVMZRVEF-UHFFFAOYSA-N 306.370 -0.150 50 20 DBGD C#CCCCC(=O)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 887144315 JIXZSYBLNNYVRJ-LBPRGKRZSA-N 308.382 -0.653 50 20 DBGD C[C@@]1(C(=O)NCCN2C(=O)CNC2=O)C[C@H]1Br 906685643 LXGRZVOEYMRFRB-LHLIQPBNSA-N 304.144 -0.172 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1118208166 BSOCQFOEILCFMV-ZJUUUORDSA-N 323.353 -0.499 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C)C1CC1 1123926345 WLIOYZFMUSWOMP-SCVCMEIPSA-N 311.455 -0.332 50 20 DBGD O=C(NNC(=O)C1(O)CCSCC1)C(=O)Nc1ccccn1 1253853271 LVHGYMIMTFUFJO-UHFFFAOYSA-N 324.362 -0.574 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1C(N)=O 1255640493 FZQBQAMQZWZKJZ-MRVPVSSYSA-N 312.351 -0.827 50 20 DBGD CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCS(=O)(=O)N2)nn1 1261526840 XTEWATHWIXSSGX-QMMMGPOBSA-N 313.383 -0.091 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CCCc1nc(C2CC2)no1 1318646031 BHBQJVHNBVICBC-UHFFFAOYSA-N 323.353 -0.058 50 20 DBGD Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)NC1CC1 1322020701 BBTCSJKZTVTXDZ-UHFFFAOYSA-N 305.294 -0.059 50 20 DBGD CON=CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1323986480 BDCZAHCHVWESNA-UHFFFAOYSA-N 306.326 -0.527 50 20 DBGD O=C(Cc1ccncc1)NNC(=O)NCCc1cnccn1 1324890589 JBINCWIPYJOXKT-UHFFFAOYSA-N 300.322 -0.013 50 20 DBGD COC/C(C)=C/C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1332573772 XQGPAWVGCHYMTN-QRJSTWQJSA-N 305.356 -0.903 50 20 DBGD Cc1n[nH]cc1CCCNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1348098970 OSBASWJZIMQVPC-JTQLQIEISA-N 308.342 -0.740 50 20 DBGD C[S@](=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1 1351519979 AAMYTVIATHGNSF-STFLBKPXSA-N 324.362 -0.145 50 20 DBGD O=C(O)CC[C@H]1C[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)CO1 1574687151 ROBWJHNJFRYDHM-ONGXEEELSA-N 322.321 -0.074 50 20 DBGD C[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)N1CCNCC1=O 1575072666 WZADUCDLMSEBIB-LURJTMIESA-N 318.246 -0.375 50 20 DBGD O=C(CNc1ccc(-c2nn[nH]n2)cn1)NNc1cccnn1 1592879224 ITOLZSBBCOLLJL-UHFFFAOYSA-N 312.297 -0.393 50 20 DBGD O=C(NNC(=O)c1cccc(-c2nn[nH]n2)n1)c1cnsn1 1593159011 RQXPFOGORBTSJP-UHFFFAOYSA-N 317.294 -0.812 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)Cn1cc(C(=O)O)cn1 1601370091 QMWDEGIKDRQLGH-UHFFFAOYSA-N 303.278 -0.634 50 20 DBGD Cn1nccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606280475 KBEJYNOBXJEFEY-UHFFFAOYSA-N 312.293 -0.325 50 20 DBGD Cn1cc(C(=O)NNC(=O)NCC2(C(=O)O)CCCCC2)nn1 1608098309 CUWYGLFXXKECCG-UHFFFAOYSA-N 324.341 -0.206 50 20 DBGD CCC(=O)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776015571 DYPINXMRRYYTJU-UHFFFAOYSA-N 313.335 -0.090 50 20 DBGD O=C(NCCN1CCOCC1)NNC(=O)c1ccccc1O 42951210 LDRAQVVRRJZXKO-UHFFFAOYSA-N 308.338 -0.332 50 20 DBGD O=C(NNC(=O)[C@H]1CC(=O)c2ccccc21)C(=O)NC1CC1 276462096 ODBXSJBGNMYDOK-NSHDSACASA-N 301.302 -0.217 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2COCCN2CC2CCC2)cn1 287836378 DELMCBRIERISII-ZDUSSCGKSA-N 321.381 -0.318 50 20 DBGD Cc1cc(C)nc(NNC(=O)CCN2CCCS2(=O)=O)n1 298916233 HONYMWUGLSVFER-UHFFFAOYSA-N 313.383 -0.038 50 20 DBGD COC1(CO)CCN(CC(=O)NNC(=O)c2ccccc2)CC1 401749501 MMNSUPPABNPSDP-UHFFFAOYSA-N 321.377 -0.079 50 20 DBGD O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc(B(O)O)ccc1F 584970196 MGHGZRZOMOMCBZ-XHDPSFHLSA-N 323.129 -0.427 50 20 DBGD O=C(c1cccc(B(O)O)c1)N1CCN[C@@H](c2ccncc2)C1 584986595 GWMBUAJEVGUSEG-OAHLLOKOSA-N 311.150 -0.452 50 20 DBGD O=C(N[C@@H]1CCCN(CCCO)C1)c1cc(B(O)O)ccc1F 584995032 HVQXSFBKDMUDPI-GFCCVEGCSA-N 324.161 -0.918 50 20 DBGD CCCN(C)CC(=O)NNC(=O)CNC(=O)c1cccs1 730283170 TZZAGWBHXJTTJG-UHFFFAOYSA-N 312.395 -0.033 50 20 DBGD CN(C)CC(=O)NNC(=O)c1cc(N2CCNC2=O)ccc1F 738529336 URBFRFWBDGWQQA-UHFFFAOYSA-N 323.328 -0.322 50 20 DBGD CCC(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 756836484 VZSGNKDGUHPWOJ-UHFFFAOYSA-N 324.341 -0.695 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCC(F)(F)F 758026605 SHKYSMIDDYTDNK-LURJTMIESA-N 319.305 -0.196 50 20 DBGD COCCC1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCC1 760311644 UQSYVHCPQZLGAH-SNVBAGLBSA-N 318.395 -0.225 50 20 DBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2o1 764212714 PWRWAWWXNMVMRV-UHFFFAOYSA-N 319.321 -0.216 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)C1CC1 771995228 WSHFEHVHZUMULS-VIFPVBQESA-N 313.354 -0.362 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCN(C(C)=O)C1 772163036 IRROUSXALTYHON-OTYXRUKQSA-N 313.354 -0.266 50 20 DBGD O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1nc[nH]n1 781418434 YJZHAQCYDBVNRK-UHFFFAOYSA-N 313.277 -0.229 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2nnnn2c1 786050032 WGSYECMDKMMSJH-ZETCQYMHSA-N 306.282 -0.773 50 20 DBGD CC(C)n1cnc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 798846959 UCSGYZKWCCHRJB-VIFPVBQESA-N 314.367 -0.340 50 20 DBGD O=C(CN1CC[C@@H](CO)[C@H](O)C1)NNC(=O)c1ccccc1 808750122 GUSZPXXDLYEXSN-QWHCGFSZSA-N 307.350 -0.877 50 20 DBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNc1ncncc1F 814310865 YTMGOUWJVRWAIK-JTQLQIEISA-N 311.365 -0.122 50 20 DBGD CCCN1CC[C@@H](NC(=O)NNC(=O)[C@H](C)OCCOC)C1 823050008 WRCBVYVTOVFPEF-NWDGAFQWSA-N 316.402 -0.147 50 20 DBGD CC(C)(C)C(=O)NNC(=O)Cn1cc(C(=O)O)cc(C#N)c1=O 826134962 LYRQWTLALIBBDU-UHFFFAOYSA-N 320.305 -0.388 50 20 DBGD CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)CCl 830845231 KAWLFBYJFAWIBY-SFYZADRCSA-N 304.821 -0.180 50 20 DBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)[C@H]1CCO[C@H]1C 842586762 PLBPERJUKMRNAA-UWVGGRQHSA-N 316.383 -0.229 50 20 DBGD CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2ncccc2F)C1 846720865 JFGGDQASLZOVSY-MRVPVSSYSA-N 317.346 -0.119 50 20 DBGD CNC(=S)N(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 854926098 VNTAWSKTKOZYJO-UHFFFAOYSA-N 320.396 -0.389 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(-n2cncn2)n1 855006653 PLAOFRGUFKOHOZ-ZJUUUORDSA-N 316.321 -0.152 50 20 DBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnc1F 857572745 YHKXSBRFJYUPJA-MRVPVSSYSA-N 315.326 -0.275 50 20 DBGD Cn1cc(N2C[C@H](C(=O)NNC(=O)CC3CC3)CC2=O)cn1 861842325 GVVXWYKQNSXVPU-SNVBAGLBSA-N 305.338 -0.280 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 862150228 KOORKMYSDJQKNN-ZQARSLAVSA-N 300.384 -0.687 50 20 DBGD Cc1cccnc1C(F)(F)C(=O)NNC(=O)[C@H]1CCC(=O)N1 862460053 ZBCWKLKJXDPPMN-MRVPVSSYSA-N 312.276 -0.092 50 20 DBGD O=C1CC[C@H](C(=O)NNS(=O)(=O)c2cc(F)ccc2F)N1 863413006 ADHQSUQJGZPSAS-MRVPVSSYSA-N 319.289 -0.447 50 20 DBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)n1cnc2ccccc21 863459351 RDWTUZYUZQBKSV-VIFPVBQESA-N 324.362 -0.211 50 20 DBGD COC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(B(O)O)c1 864988086 VOEQEDNNTQFSDD-ZDUSSCGKSA-N 305.139 -0.076 50 20 DBGD CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 865090319 KHHNDDHQFCLHNF-HNNXBMFYSA-N 315.182 -0.328 50 20 DBGD CNS(=O)(=O)CCNS(=O)(=O)CC(C)(C)CCl 867157775 GQFIEUOBXSJQHL-UHFFFAOYSA-N 306.837 -0.280 50 20 DBGD O=C(NNC(=O)c1csnn1)c1ccc(-n2cnnn2)cc1 917924950 GAPIGROPPHYJPW-UHFFFAOYSA-N 316.306 -0.411 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)n1cccn1 1251156194 QHIJESJNQYTZNJ-RKDXNWHRSA-N 300.340 -0.974 50 20 DBGD C[C@@H](CO)CCCNC(=O)NNC(=O)C(=O)N1CCCC1 1253712631 NRLBKDOOFOPLFB-SNVBAGLBSA-N 300.359 -0.652 50 20 DBGD C[C@@H](O)CN(C)NC(=O)Cc1ccccc1NS(C)(=O)=O 1262177896 KBNWGKWNUVABHA-SNVBAGLBSA-N 315.395 -0.056 50 20 DBGD CNC(=O)NNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12 1317958820 QXPKFROPSXUXPX-UHFFFAOYSA-N 300.278 -0.250 50 20 DBGD COCCOc1ncccc1C(=O)NNc1nccn(C)c1=O 1318972623 DIRMFFCIIGHSND-UHFFFAOYSA-N 319.321 -0.043 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NCc2ncn(C)n2)n1 1319700419 MQULAGBQPZXHAL-UHFFFAOYSA-N 306.330 -0.841 50 20 DBGD CN(C)N(C(=O)CCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1324142258 CLQAWOIOGCMIAG-SNVBAGLBSA-N 319.383 -0.679 50 20 DBGD CN(C)N(C(=O)c1cnc2cccnn12)[C@H]1CCS(=O)(=O)C1 1326801368 VFZJGWZUDNCDOD-JTQLQIEISA-N 323.378 -0.165 50 20 DBGD Cc1nc(C(C)C)nc(O)c1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 1329173702 YIDNGNMQKVXCJH-QMMMGPOBSA-N 321.337 -0.346 50 20 DBGD CNC(=S)N(C)NC(=O)CCC[C@@]1(C)NC(=O)NC1=O 1329335214 YCYPHQNXPAWCQZ-LLVKDONJSA-N 301.372 -0.778 50 20 DBGD CC1(O)CCC(NC(=O)NNC(=O)C(=O)N2CCCC2)CC1 1333431141 RAAAMLMGHCLOHH-UHFFFAOYSA-N 312.370 -0.367 50 20 DBGD CCc1noc(C)c1CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1334938232 VKEWFYDNXLMLMZ-JTQLQIEISA-N 309.326 -0.346 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1Cl 1343340078 GKLHQGCKYYMLGE-UHFFFAOYSA-N 317.660 -0.262 50 20 DBGD CN(CC(Cl)Cl)C(=O)[C@@]12CNC[C@@H]1CS(=O)(=O)C2 1578441176 YNHMMCFANICDDI-GMSGAONNSA-N 315.222 -0.117 50 20 DBGD C[C@H](C(=O)NCC(Cl)Cl)n1cnc(-c2nn[nH]n2)n1 1588980267 VVJNJFSQSXFVCF-SCSAIBSYSA-N 305.129 -0.061 50 20 DBGD Cn1cc(CNC(=O)NNc2ccc(-c3nn[nH]n3)cn2)nn1 1592572668 WWPOVEUFSDJSOB-UHFFFAOYSA-N 315.301 -0.784 50 20 DBGD Cn1cc([C@H](NC(=O)NNC(=O)C(=O)O)c2ccccc2)cn1 1600938046 AJRZWINFVYWKBN-LLVKDONJSA-N 317.305 -0.076 50 20 DBGD O=C(O)C1(O)CCN(S(=O)(=O)CBr)CC1 1601723376 JTUQELKRCLSBLH-UHFFFAOYSA-N 302.146 -0.420 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)Cn2cc(C(=O)O)cn2)cc1 1608201140 YDEZCFIVENIETO-UHFFFAOYSA-N 313.273 -0.086 50 20 DBGD O=C(O)CN(CCC(F)(F)F)CC(=O)NNC(=O)C1CC1 1608745128 PXLKDKLJYZDAIH-UHFFFAOYSA-N 311.260 -0.117 50 20 DBGD CC1CCC2(CC1)OC[C@@H](CNC(=O)NNC(=O)C(=O)O)O2 1609848546 FPQRASJNIRPAGO-XQVHRTOBSA-N 315.326 -0.277 50 20 DBGD CN(C)CC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1842678032 DPYOWLAUSRPNCW-SNVBAGLBSA-N 303.790 -0.649 50 20 DBGD COC[C@H](C)NC(=S)NNC(=O)CNC(=O)c1ccco1 8356326 BHPYTSFJWXRODJ-QMMMGPOBSA-N 314.367 -0.460 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1S 264175062 WMYLOEDRYXRFFN-LURJTMIESA-N 318.380 -0.931 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@H](C)CS(C)(=O)=O)n1 266960315 MGGAISGFWQAFFN-MRVPVSSYSA-N 317.371 -0.147 50 20 DBGD Cc1ccc(F)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 273549631 YMRQHRDHACKNLW-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H]1CCCCC(=O)N1 279713333 KUDBHTSYAUBAOF-QMMMGPOBSA-N 304.441 -0.097 50 20 DBGD NC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)O1 280188396 HUGFIZPTWAEHHF-VXGBXAGGSA-N 316.317 -0.038 50 20 DBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ncn(C)n2)C[C@@H](C)O1 289640301 WONZDDRVZAGUTC-NXEZZACHSA-N 310.358 -0.925 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)C(=O)N1CCCC1 299475047 IICVVKVWYZHDCE-VIFPVBQESA-N 322.321 -0.832 50 20 DBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)N1CCCC1 299583627 RTCJBEXWOQRCKQ-GFCCVEGCSA-N 303.318 -0.240 50 20 DBGD O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(B(O)O)c(F)c1 584997964 MKGZWRKOOIQEGR-GXFFZTMASA-N 320.129 -0.611 50 20 DBGD C[C@H](NCc1ccc(B(O)O)cc1F)C(=O)NCc1ccco1 585032795 MGQPPHLEYSGINE-JTQLQIEISA-N 320.129 -0.107 50 20 DBGD CN1Cc2ccccc2[C@H](NCc2ccc(B(O)O)o2)C1=O 585049405 PHDHHDQRHIIJPD-AWEZNQCLSA-N 300.123 -0.238 50 20 DBGD CC(C)(c1nc(-c2cccc(B(O)O)c2)no1)S(C)(=O)=O 585053639 NOFPCCQCPLEWII-UHFFFAOYSA-N 310.140 -0.304 50 20 DBGD C[C@H]1C[C@@H](c2nc(-c3cccc(B(O)O)c3)no2)CC(=O)N1 585054570 XWUIMOHETUKJOS-WCBMZHEXSA-N 301.111 -0.202 50 20 DBGD C[C@H]1Cc2cc(S(=O)(=O)NCB(O)O)cc(Cl)c2O1 585056446 WCZMKNGRCSHIAP-LURJTMIESA-N 305.548 -0.046 50 20 DBGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCB(O)O)c1 585059022 XMLOGQARJITEBO-UHFFFAOYSA-N 314.172 -0.543 50 20 DBGD CC(=O)N1C[C@H](C(=O)NNC(=O)CN(C)C)Oc2ccccc21 733359678 XSEGMNWRGIZBER-CYBMUJFWSA-N 320.349 -0.491 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)c1cnn(C)c1)Cn1cccn1 735511417 YCFDKNRYWPQXHV-JTQLQIEISA-N 305.342 -0.103 50 20 DBGD C[C@H]1CC(=NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCN1C 741461134 FDBPFAZVBKUBHR-ONGXEEELSA-N 302.400 -0.057 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)N1CCOCC1)C1CCCC1 745992179 VXBKPYWOKGMXLE-LBPRGKRZSA-N 312.370 -0.246 50 20 DBGD C[C@H](C(=O)NNC(=O)C1CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746092672 BPNBMDWSHIHQSF-NENRSDFPSA-N 321.333 -0.905 50 20 DBGD COc1csc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 746823856 FXYKSIXQTXUZCX-SSDOTTSWSA-N 318.376 -0.048 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1ccon1 747503612 WDXRFLUEQDRFOK-UHFFFAOYSA-N 323.334 -0.004 50 20 DBGD Cn1ccnc(NNC(=O)CNC(=O)CC2CCCC2)c1=O 747941668 BGGUZAAQPLZCAJ-UHFFFAOYSA-N 307.354 -0.080 50 20 DBGD CO[C@@H](C)CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 749562352 DDMTUQQUNDPZCF-VIFPVBQESA-N 304.310 -0.152 50 20 DBGD Nc1ncc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1ccccn1 758054867 YKQKTBFGVKPXFK-UHFFFAOYSA-N 316.277 -0.029 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(O)CCCCC1 758057666 VZQAGBLTALYJOZ-SECBINFHSA-N 321.399 -0.843 50 20 DBGD CN(C)c1nccc(NNC(=O)[C@H]2CN3CCCN2CC3)n1 764325761 DKIKYMVOWSYDMT-LLVKDONJSA-N 305.386 -0.624 50 20 DBGD CCNC(=O)NNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 769146487 FYSHXBCNERPZHC-CQSZACIVSA-N 319.321 -0.295 50 20 DBGD CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)CO 777782222 YJMDCQVKXYEIPB-GFCCVEGCSA-N 307.350 -0.346 50 20 DBGD O=C(NCC(=O)N1CCOCC1)NNc1ncncc1Cl 781016558 HDBGATDOVWYUNI-UHFFFAOYSA-N 314.733 -0.385 50 20 DBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)NCC2CC2)c(=O)c1 791128458 PAXXJFDNOOJUPJ-HNNXBMFYSA-N 322.365 -0.352 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc(F)cc3nn[nH]c23)cn1 800499286 VROSZQBSBWOCJN-UHFFFAOYSA-N 303.257 -0.095 50 20 DBGD COC(=O)Cn1cc(C(C)=NNC(=O)N=c2cc[nH]cc2)nn1 815001278 CHUIKSSHABQUAJ-UHFFFAOYSA-N 317.309 -0.186 50 20 DBGD Cc1c(/C=C(/C#N)C(=O)N2CC(O)C2)cc(-c2nn[nH]n2)n1C 822029210 WFMAWZGDZLQMOM-KMKOMSMNSA-N 313.321 -0.376 50 20 DBGD C[C@@H]1[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CCN1C 825682755 DEZRREFFVWBYBC-NXEZZACHSA-N 324.406 -0.035 50 20 DBGD Cn1cc(-c2nn[nH]n2)cc1C(=O)NNc1ncc(F)cn1 826358590 ZMUYZOQQLYGRIF-UHFFFAOYSA-N 303.261 -0.109 50 20 DBGD CO[C@H](CS(=O)(=O)NNC(=O)N1CCOCC1)C(C)C 842581703 URBBWGDUVIHEBW-SNVBAGLBSA-N 309.388 -0.466 50 20 DBGD CN(C)S(=O)(=O)NCCNC(=O)NNc1ccccc1 854108413 ZANSGURPYYPSFC-UHFFFAOYSA-N 301.372 -0.291 50 20 DBGD COC(=O)c1cc(C(=O)NNC(=O)N2CCN(C)CC2)c[nH]1 854382835 NGDLTUDFBVMXHR-UHFFFAOYSA-N 309.326 -0.597 50 20 DBGD Cn1nnc2c1C[C@H](C(=O)NNC(=O)c1cccc(F)n1)CC2 856427244 SMZDKJPUXKZSOD-MRVPVSSYSA-N 318.312 -0.085 50 20 DBGD COC(=O)COCCNC(=O)NNc1ncncc1Cl 858831705 NQYODCHZPILXCP-UHFFFAOYSA-N 303.706 -0.054 50 20 DBGD Cn1nc(NC(=O)NNC(=O)[C@H]2CCC(=O)N2)cc1C1CC1 861128263 FNYYELXJDNVBRT-MRVPVSSYSA-N 306.326 -0.271 50 20 DBGD CCOC(=O)Cn1cnc(NC(=O)NNc2nnc(C)n2C)n1 861183807 SFQZIOASSBPSHJ-UHFFFAOYSA-N 323.317 -0.573 50 20 DBGD O=C(NNC(=O)[C@H]1COCCN1CC(F)(F)F)c1cn[nH]c1 862470706 VBTQWAMSZPMCCY-MRVPVSSYSA-N 321.259 -0.566 50 20 DBGD CC(=O)NNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 863399667 QXKDZEZUMFIIAW-UHFFFAOYSA-N 309.347 -0.149 50 20 DBGD CN1CC[C@@H](N2CCC(NS(=O)(=O)CCl)CC2)C1=O 867441831 VFSTXKSRWXWNEA-SNVBAGLBSA-N 309.819 -0.203 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@]1(OC)CCSC1 885755582 MXLCCJWLXQYSLN-PRHODGIISA-N 304.368 -0.002 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1(C#N)CCOCC1 1318722737 NVLFUQLFZUXQLO-UHFFFAOYSA-N 310.354 -0.241 50 20 DBGD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)C(=O)NC1CC1 1319697870 IUFZVRLLFUNNJH-ZETCQYMHSA-N 307.354 -0.054 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc(F)cc1 1325519527 MAFJTGDMKSJFRF-UHFFFAOYSA-N 305.269 -0.123 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccccc1-n1nc(C)nc1C 1342589508 CTLZOHWVMUBHBW-UHFFFAOYSA-N 316.321 -0.010 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)C 1343341542 SGIJALBCGXUAFA-UHFFFAOYSA-N 323.305 -0.267 50 20 DBGD Cn1cnn(CCC(=O)NNc2nncc(N)c2Cl)c1=O 1343945974 FKLMIZBIQXDZGY-UHFFFAOYSA-N 312.721 -0.859 50 20 DBGD Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)CS(C)(=O)=O 1348436448 OIGXKCRAERSYOK-SSDOTTSWSA-N 316.383 -0.668 50 20 DBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)NC1CCNCC1 1576296044 XOINRKADTAKFTD-SNVBAGLBSA-N 307.354 -0.069 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCNC[C@@H]1C 1579796695 INGQOTLBNWTOBG-ZDUSSCGKSA-N 304.394 -0.021 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 1591275093 KFSBLMPPCWBHJD-UHFFFAOYSA-N 323.244 -0.669 50 20 DBGD O=C(Cc1ccccc1O)NNC(=O)Cn1cc(C(=O)O)nn1 1601369746 PDBOHPBNAPXJTB-UHFFFAOYSA-N 319.277 -0.928 50 20 DBGD O=C(O)c1cc(NNC(=O)[C@H]2CCS(=O)(=O)N2)ccc1F 1602286417 FADMICBMOZJECQ-SECBINFHSA-N 317.298 -0.341 50 20 DBGD COC(=O)c1cnc([C@H](C)NC(=O)NNC(=O)C(=O)O)s1 1610218148 OHGFTVZXPSTCBL-BYPYZUCNSA-N 316.295 -0.594 50 20 DBGD C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784093735 FNALRNFBNWFWJE-YFKTTZPYSA-N 314.769 -0.801 50 20 DBGD COC(OC)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347694 BWLXJJWCGGQHOE-SECBINFHSA-N 320.773 -0.592 50 20 DBGD CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 55040919 AGIREWIMVLZOER-NSHDSACASA-N 324.381 -0.551 50 20 DBGD O=C(CN1CCC(CN2CCOCC2)CC1)NNC(=O)C1CC1 112979824 HGVQTOFCAAWBPJ-UHFFFAOYSA-N 324.425 -0.412 50 20 DBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1ccc(F)cc1F 113426792 MOUWNLRLIKOZAF-UHFFFAOYSA-N 314.292 -0.596 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)COc2ccccc2F)C1 276306650 OZMICPJMGLPPFW-UHFFFAOYSA-N 309.297 -0.170 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)N2CCN(C)CC2)n1 279868369 VWGVQSNPNPAMFV-GFCCVEGCSA-N 305.382 -0.213 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C 288806146 FPDRAEYGDWRYTK-OPRDCNLKSA-N 303.384 -0.326 50 20 DBGD CCCc1nnc(SCC(=O)NNC(=O)NC(C)C)n1N 291492151 LPKQQWATXJLDGJ-UHFFFAOYSA-N 315.403 -0.225 50 20 DBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCC(=O)N1 298112055 PXKNWNMTYOCOPJ-VIFPVBQESA-N 307.306 -0.500 50 20 DBGD CN(C)CC(=O)NNC(=O)c1ccc(N2CCOC2=O)cc1 491430264 UMUSSOXXLIFOBH-UHFFFAOYSA-N 306.322 -0.034 50 20 DBGD CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)C(C)(C)O)C1 496488682 HERROSWUTMVOPH-UHFFFAOYSA-N 301.343 -0.228 50 20 DBGD C[C@@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC[S@]1=O 584982609 LRUQNODEBYCQMH-AOUSDQRYSA-N 313.159 -0.511 50 20 DBGD O=C1CC[C@H](Cc2nc(-c3ccc(B(O)O)cc3)no2)CN1 585054213 KATLROLMFRELSB-SECBINFHSA-N 301.111 -0.515 50 20 DBGD CN(CC(=O)NNC(=O)Cc1cc[nH]n1)C(=O)c1cccs1 730091443 AEATYCHWUZWPIW-UHFFFAOYSA-N 321.362 -0.067 50 20 DBGD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)CO)C1 753439991 VXPAGKYITYLJOD-NSHDSACASA-N 314.386 -0.406 50 20 DBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCS(=O)(=O)C1 763899259 QGCQDQJYLKRYLA-JTQLQIEISA-N 319.427 -0.454 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NC[C@@]1(OC)CCOC1 764805364 RTNKAYCCGZLAEP-MFKMUULPSA-N 319.358 -0.826 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CC[C@@]1(C)CCC(=O)N1 772237688 PYWCLYHAZLTEHY-LKFCYVNXSA-N 313.354 -0.076 50 20 DBGD CCOCCS(=O)(=O)NCC(=O)NNc1ccccn1 777469399 MNJIAUKGELEDRK-UHFFFAOYSA-N 302.356 -0.519 50 20 DBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NN=c1cc[nH]cc1 780761844 GRNUJPMEZDANRB-UHFFFAOYSA-N 312.337 -0.174 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3C[C@@]3(CO)C2)cc1 782634497 RNTXYFMSAJDGJH-CJNGLKHVSA-N 314.345 -0.367 50 20 DBGD CN(CC(=O)NNC(=O)c1ccccc1)C1(CO)CCOCC1 792409805 QGHSDSBQHAIGHS-UHFFFAOYSA-N 321.377 -0.079 50 20 DBGD COC(=O)c1ccc(NC(=O)NNC(=O)Cc2cc[nH]n2)nn1 799233615 NEIVRVMRJLYONT-UHFFFAOYSA-N 319.281 -0.618 50 20 DBGD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NNC(=O)Cc1ccncc1 799398876 VPCJZQVNIQYCTL-JOYOIKCWSA-N 305.338 -0.521 50 20 DBGD CN1C(=O)C(=O)N(CC(=O)NNc2cccc(Cl)n2)C1=O 817009958 FXSGAWIQWDTDLV-UHFFFAOYSA-N 311.685 -0.401 50 20 DBGD O=C(COc1ccc(F)c(F)c1)NNC(=O)[C@H]1CCC(=O)N1 827017194 YNOKHCRNTDTFHU-SNVBAGLBSA-N 313.260 -0.230 50 20 DBGD COCCN1[C@@H](C)CN(CC(=O)NNC(=O)C(C)C)C[C@H]1C 830074885 RLQKAUOOIZHDDM-BETUJISGSA-N 314.430 -0.169 50 20 DBGD C[C@H](N)C[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 831202430 GMGWRFWTRCJLNY-IUCAKERBSA-N 311.342 -0.534 50 20 DBGD CCS(=O)(=O)N[C@H](C)C(=O)NNc1ncncc1Cl 832672399 SXRXVGRPFURUGY-ZCFIWIBFSA-N 307.763 -0.099 50 20 DBGD CCO[C@@H]1COC[C@H]1NC(=O)NNC(=O)[C@H]1CCCCO1 836653157 JJTVJKGPYQKQJS-GMTAPVOTSA-N 301.343 -0.310 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)[C@H]1CCO[C@H]1C 843979611 PHOOWTWXDHGCBV-ONGXEEELSA-N 309.322 -0.565 50 20 DBGD CCONC(=O)CNC(=O)NNc1ccc(-n2cccn2)nn1 845552804 NESVOYSLVYKMME-UHFFFAOYSA-N 320.313 -0.644 50 20 DBGD CCCNC(=O)NNC(=O)C1=C(C)N(C)c2nnnn2[C@@H]1C 847393403 FWDFQYUDENJIRT-MRVPVSSYSA-N 308.346 -0.302 50 20 DBGD C[C@@H](NC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(C)(C)CN(C)C 858289565 NGFCOUDVPLWUED-NXEZZACHSA-N 313.402 -0.428 50 20 DBGD C[C@H](C(=O)NNC(=O)[C@H]1CCC(=O)N1)N1CCc2ccccc21 862453266 JXZNXYXGMJZTIE-ZYHUDNBSSA-N 316.361 -0.136 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NN(CC)CCO)C1 911440477 TUFOMRXPLOVGBC-GFCCVEGCSA-N 301.387 -0.393 50 20 DBGD O=C(NNC(=O)c1cccc2c1OCCO2)C(=O)NC1CC1 921304610 ZMVKAUWGIQCEGK-UHFFFAOYSA-N 305.290 -0.503 50 20 DBGD Nc1cnnc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1Cl 1116285137 BVXFGQQPGMXOAT-RXMQYKEDSA-N 320.762 -0.475 50 20 DBGD C#CCOCCN(C)CC(=O)NNC(=O)Cc1nc(C)cs1 1116396676 KTWPRKOHUGYIEU-UHFFFAOYSA-N 324.406 -0.277 50 20 DBGD Cc1cnn(CC2CC2)c1NC(=O)C(=O)NNC(=O)CN(C)C 1116621139 SGUVOPIRDCNEQR-UHFFFAOYSA-N 322.369 -0.751 50 20 DBGD Cc1cccc(C(=O)NNC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)n1 1118189382 KAHRBGLKCJZQAX-VHSXEESVSA-N 321.337 -0.210 50 20 DBGD Cc1csc(NC(=O)C(=O)NNC(=O)[C@H]2CCO[C@H]2C)n1 1118202789 FMOOWCALYYUJDU-YUMQZZPRSA-N 312.351 -0.038 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@H](C)CN1CCCCC1 1252437926 DUQOZASKWXPSRR-JTQLQIEISA-N 300.359 -0.388 50 20 DBGD CC1(C(=O)NNC(=O)CNC(=O)c2ccco2)CCOCC1 1318177305 OPMBQIOMDAUJAX-UHFFFAOYSA-N 309.322 -0.027 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 1318878056 VZOUPNDNCMGYBL-NXEZZACHSA-N 300.359 -0.390 50 20 DBGD C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cnn(C)c1 1319095337 QWVYTJALJQQBCV-ONGXEEELSA-N 311.342 -0.442 50 20 DBGD CC(C)C(=O)NCCCNC(=O)NNC(=O)c1cnn(C)c1 1319608404 TWGXLYYLDHZQSF-UHFFFAOYSA-N 310.358 -0.474 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2nc(C)oc2c1 1320231681 AIARKCVQLBEKLQ-UHFFFAOYSA-N 306.278 -0.131 50 20 DBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CCO)cc1F 1320358841 ZPQUEMRQSKIULW-UHFFFAOYSA-N 313.285 -0.307 50 20 DBGD Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)c1 1320562613 PKVGMOPMQLMIMJ-UHFFFAOYSA-N 318.333 -0.332 50 20 DBGD CS(=O)(=O)CC1(CNC(=O)NNC(=O)c2cn[nH]c2)CC1 1334906251 ICDUDSPOWIMLEE-UHFFFAOYSA-N 315.355 -0.822 50 20 DBGD Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 1351331676 ZUFVXONHMMGDFH-UWVGGRQHSA-N 320.353 -0.594 50 20 DBGD Cc1ccccc1C1=NO[C@H](C(=O)NNC(=O)[C@@H]2CCN2)C1 1579795184 LUYSFRNLCOICAB-AAEUAGOBSA-N 302.334 -0.003 50 20 DBGD C[C@@H](C(=O)NNC(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 1588999548 LRCRWULTNKKALK-LURJTMIESA-N 323.317 -0.425 50 20 DBGD O=C(CN1CCCC1=O)NN=Cc1ccc(-c2nn[nH]n2)cc1 1592865176 LSSJSVWYSAQXDI-UHFFFAOYSA-N 313.321 -0.061 50 20 DBGD O=C(NCC1CC1)NNC(=O)c1cc(-c2nn[nH]n2)ccn1 1593027319 DRQGLJDSETWCGV-UHFFFAOYSA-N 302.298 -0.384 50 20 DBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1ccc(-c2nn[nH]n2)cc1 1593157857 HSKDXVZURKQNIU-CYBMUJFWSA-N 320.284 -0.244 50 20 DBGD O=C(CCCn1cncn1)NNc1ccc(-c2nn[nH]n2)cn1 1606518450 LZEDPRFNGCCNNC-UHFFFAOYSA-N 314.313 -0.223 50 20 DBGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)C(=O)O)cc1F 1610296894 HJAHESZQDWVDPE-UHFFFAOYSA-N 317.204 -0.856 50 20 DBGD CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)CCl 111238112 TVQOVQNHRDTJTQ-MRVPVSSYSA-N 304.821 -0.084 50 20 DBGD N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2COCCO2)cc1 140984653 FXTIZUMMSFQHTR-GFCCVEGCSA-N 304.306 -0.082 50 20 DBGD CCOC(=O)NCC(=O)NNC(=O)Cc1cn2ccccc2n1 266931591 MSQPUVYNFZVSDW-UHFFFAOYSA-N 319.321 -0.230 50 20 DBGD CCNC(=O)N(C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C 272681477 NQUKKTWFEXYWJA-UHFFFAOYSA-N 320.357 -0.442 50 20 DBGD NC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)nc2)O1 279904260 LPWXAYQMHHPQQH-JGVFFNPUSA-N 312.713 -0.471 50 20 DBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)o1 292095937 OIICHNOTGWQVPB-ZETCQYMHSA-N 318.307 -0.445 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCN(C(=O)C2CC2)CC1 584942355 GIQRCAMEIJERNS-UHFFFAOYSA-N 320.129 -0.800 50 20 DBGD CS(=O)(=O)C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584962050 HFTAWMQQMLMTGM-UHFFFAOYSA-N 311.168 -0.984 50 20 DBGD CCO[C@@H]1C[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@H]1OC 584973703 BPXDINKIEHWRTO-JHJVBQTASA-N 311.118 -0.572 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@H]1[C@@H]1CCCO1 584988561 PZMUDRQKBBAGBQ-KBPBESRZSA-N 305.139 -0.614 50 20 DBGD COCCO[C@@H]1COCC[C@@H]1NCc1ccccc1B(O)O 585036051 CRHORNJHCTXABB-LSDHHAIUSA-N 309.171 -0.724 50 20 DBGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccc(C#N)c1 728794615 ZKVQOZSHMVDXMM-UHFFFAOYSA-N 305.363 -0.245 50 20 DBGD Cc1ncc(C(=O)NNC(=O)CNC(=O)c2cccs2)[nH]1 732282707 RWYNRLFYRQNCLF-UHFFFAOYSA-N 307.335 -0.029 50 20 DBGD O=CNc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 746185124 HGSQRPSJEPWKIB-UHFFFAOYSA-N 304.306 -0.362 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C2(C(=O)NC3CC3)CC2)n1 749403108 FPJRKELIPDSXOW-UHFFFAOYSA-N 319.365 -0.294 50 20 DBGD O=C(CO)NNC(=O)CNC(=O)c1ccccc1C(F)(F)F 753439349 YFNXJEANASPZFM-UHFFFAOYSA-N 319.239 -0.425 50 20 DBGD Cc1cnccc1CCNC(=O)NNC(=O)C(=O)N1CCCC1 755089081 IQJUPUAPBYPQCL-UHFFFAOYSA-N 319.365 -0.115 50 20 DBGD C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)C(=O)NC1CC1 757797077 PLFMVLYBJWDXJI-KWQFWETISA-N 309.370 -0.922 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cnc2N)cn1 758183144 WPHHGZSKSJCTRG-UHFFFAOYSA-N 305.254 -0.620 50 20 DBGD COC[C@@H](NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(N)=O 760078910 SQOKVIZSLCIGNG-XFVCYKSVSA-N 315.333 -0.271 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1cc(C(=O)OC)n(C)c1 782477911 CJRUMPHKZFHOSZ-UHFFFAOYSA-N 318.355 -0.334 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)N1 802096265 JYYREDLVOOMGCL-QMMMGPOBSA-N 306.278 -0.153 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC(=O)N(C)C1 807371318 GNBBWDUANYLESP-VIFPVBQESA-N 301.343 -0.599 50 20 DBGD COc1ccc(C(=O)NN=C2C(=O)NC(=O)NC2=O)c(OC)c1 814221607 GOGFHKOHHJMHOS-UHFFFAOYSA-N 320.261 -0.844 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 823947318 WHRZSCQYZDXWTO-NSHDSACASA-N 323.397 -0.101 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)N(C)CC(=O)N1CCCC1 827314770 JRWFJSWRAJYRSA-MNOVXSKESA-N 312.370 -0.294 50 20 DBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ncc[nH]1 827857161 XOLVJMUWMSRBPX-UHFFFAOYSA-N 312.330 -0.122 50 20 DBGD COC(=O)N1CCC(C(=O)NNC(=O)c2cnn(C)c2)CC1 828088179 SLOLPBIZTJALPR-UHFFFAOYSA-N 309.326 -0.341 50 20 DBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1cccnc1Cl 846254858 CAZFSHFUDUVVPZ-UHFFFAOYSA-N 321.790 -0.084 50 20 DBGD CCc1[nH]ccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 846634402 UHFDFEGCYHWTFX-ZETCQYMHSA-N 302.356 -0.724 50 20 DBGD CC(C)(C)C(=O)NNC(=O)CN1CC[C@@H]2NC(=O)CC[C@H]2C1 852497940 YBMXBTDNOLRQSG-QWRGUYRKSA-N 310.398 -0.220 50 20 DBGD C[C@H](C(=O)NNC(=O)COc1ccccc1O)[C@@H]1CCC(=O)N1 859269384 ABWKWIKRFBIOGQ-UWVGGRQHSA-N 321.333 -0.167 50 20 DBGD CN1C(=O)CN(CC(=O)NNC(=S)NCC2CCC2)C1=O 862150662 WYADWKDAENPVCN-UHFFFAOYSA-N 313.383 -0.824 50 20 DBGD CC(=O)Nc1c(C)cccc1C(=O)NNC(=O)[C@H]1CCC(=O)N1 862451555 DQIBNEGUXYOFBO-LLVKDONJSA-N 318.333 -0.007 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)c2cc(C(F)(F)F)n[nH]2)N1 862462460 QKYWYOICMCWGCD-SCSAIBSYSA-N 305.216 -0.532 50 20 DBGD COCCOCC(=O)NNC(=O)CCn1cc(Cl)cn1 869909348 RZMTZWSYDGGCAD-UHFFFAOYSA-N 304.734 -0.263 50 20 DBGD CCCNC(=O)NNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 921022053 WXZBLIJQRBXKKI-UHFFFAOYSA-N 314.367 -0.004 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CSCC(=O)N2)cc1 929289969 SWVHHAVYFJWDOP-NSHDSACASA-N 323.374 -0.247 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2ccnn2C)C1 933537260 OSZPVYGLHNPZGV-ZYHUDNBSSA-N 309.370 -0.261 50 20 DBGD C[C@H](NC(=S)NNC(=O)[C@H]1CN2CCN1C[C@H]2C)C1CC1 1123926343 WLIOYZFMUSWOMP-JFGNBEQYSA-N 311.455 -0.332 50 20 DBGD CN(C)C(=O)NNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 1319413145 LBCLDZYQCONUQF-QMMMGPOBSA-N 303.344 -0.691 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1320348914 IMXUJPUHHBZGOK-UHFFFAOYSA-N 304.262 -0.982 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)C[S@@](C)=O 1320955701 LECXWLWFQROXKU-PKPDKRHSSA-N 309.388 -0.865 50 20 DBGD CC(=O)c1cc(C(=O)NNC(=O)C(=O)NC2CC2)c(C)nc1C 1324193544 DMQYTZBYECVNSG-UHFFFAOYSA-N 318.333 -0.059 50 20 DBGD CC(C[C@H]1CCC(=O)N1)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1324219176 IATVDOXMJYSUIA-NXEZZACHSA-N 316.383 -0.483 50 20 DBGD C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)n1ccnc1 1330192613 PKKZWJFQIPXODQ-MNOVXSKESA-N 300.384 -0.064 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)[C@H]2CCC(=O)c3cccn32)N1 1331690485 JPHAYCBLKVFVFU-WCBMZHEXSA-N 304.306 -0.568 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N1CCC2(CC1)C[C@H](O)CCO2 1333319650 PONRCQINAMSEQT-NWDGAFQWSA-N 313.398 -0.062 50 20 DBGD CN1CCC(CN(C)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CC1 1334929867 FMNSODAXANFNLD-NSHDSACASA-N 311.386 -0.721 50 20 DBGD N#CC1=CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1342030655 YZXFHUDMUYNSDB-RFHZTLPTSA-N 315.329 -0.169 50 20 DBGD O=C(NNc1ccc(-c2nn[nH]n2)cn1)c1nsnc1O 1606858247 NGMCKFKXSMUDOK-UHFFFAOYSA-N 305.283 -0.424 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)Cn1cc(C(=O)O)cn1 1607993835 DEQWUTQGHRYUBN-UHFFFAOYSA-N 309.307 -0.193 50 20 DBGD C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C(=O)NC1CC1 8401617 LEDQPUIYBMVMIM-VIFPVBQESA-N 316.317 -0.248 50 20 DBGD Cc1cc(C(=O)NNC(=O)NCC2CC2)c2c(=O)[nH]n(C)c2n1 139331058 FZSAUHWEGOCYKE-UHFFFAOYSA-N 318.337 -0.076 50 20 DBGD Cc1ccn(CC(=O)NNC(=O)Cc2cccnc2)c(=O)c1 194594812 ZWUYVZNKCBKYSS-UHFFFAOYSA-N 300.318 -0.058 50 20 DBGD CCC(CC)N1C[C@H](C(=O)NNC(=O)C(=O)NC2CC2)CC1=O 264283193 OCJFEIUWUMNTFN-SECBINFHSA-N 324.381 -0.551 50 20 DBGD Cc1nc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c[nH]1 264858580 OUYNWSNKEDEXCD-UWVGGRQHSA-N 309.370 -0.022 50 20 DBGD CN(CC(=O)NNc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 269625925 RZTPJOPOPQUEAE-UHFFFAOYSA-N 302.312 -0.071 50 20 DBGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NN(C)C(N)=O 272204966 QICNQJSNESCENA-LLVKDONJSA-N 303.326 -0.193 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)CCN2C(=O)CCC2=O)n1 272546912 HXWXJLJPBIVJTF-UHFFFAOYSA-N 312.717 -0.306 50 20 DBGD Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)C(C)(C)O 277999191 QLERNEPIUUPAOK-UHFFFAOYSA-N 314.363 -0.070 50 20 DBGD CCN(C(=O)c1cccc(B(O)O)c1)[C@H]1CCS(=O)(=O)C1 584926778 BGIKKPFBVPNUCH-LBPRGKRZSA-N 311.168 -0.984 50 20 DBGD O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cc(B(O)O)ccc1F 584929133 IEWXJIAXQGTRIW-ZIAGYGMSSA-N 306.146 -0.138 50 20 DBGD CCN1CCN([C@H](C)CNC(=O)c2cccc(B(O)O)c2)CC1 584945899 MNIBGBXNDMEPEU-CYBMUJFWSA-N 319.214 -0.878 50 20 DBGD C[C@H](CCS(C)(=O)=O)NC(=O)c1cc(B(O)O)ccc1F 584959316 GKRRHQZXABBXGQ-MRVPVSSYSA-N 317.147 -0.942 50 20 DBGD CN(C)[C@H](CNC(=O)c1cccc(B(O)O)c1)c1cccnc1 584960887 OMQZVTFSEPOTCZ-OAHLLOKOSA-N 313.166 -0.206 50 20 DBGD COC[C@H]1CN(C(=O)c2cc(B(O)O)ccc2F)C[C@@H](C)O1 584978908 FXTZZFCWRDAYTR-MWLCHTKSSA-N 311.118 -0.619 50 20 DBGD COCCN1[C@@H](C)CN(C(=O)c2cccc(B(O)O)c2)C[C@H]1C 585003692 QAYSYHTWZUECIE-BETUJISGSA-N 320.198 -0.452 50 20 DBGD O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c(F)c1 585057302 BTFGBYMXRIBIBF-SSDOTTSWSA-N 318.091 -0.029 50 20 DBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1ccccc1O 727943231 GMLSEZPSFXWPJR-UHFFFAOYSA-N 315.351 -0.229 50 20 DBGD COc1cccc(O)c1C=NNC(=O)[C@H](C)NS(C)(=O)=O 728435371 ZHFPGMLVTUFVKD-QMMMGPOBSA-N 315.351 -0.211 50 20 DBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1-n1cnnn1 731879849 WQPGACAHJGLPIO-UHFFFAOYSA-N 312.293 -0.231 50 20 DBGD O=C1CC(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)=NN1 733363934 AZFFZKWYAUMSQK-UHFFFAOYSA-N 312.289 -0.491 50 20 DBGD CN1CCO[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1 746092257 HDVVOPZFQJBNDQ-LBPRGKRZSA-N 307.306 -0.493 50 20 DBGD C[C@@H](CN1CCCC1=O)NC(=O)NNC(=O)Cc1ccncc1 747505210 YHJMHGATQOJCSM-NSHDSACASA-N 319.365 -0.035 50 20 DBGD O=C(CO)NNC(=O)Nc1cccn(CC(F)(F)F)c1=O 757657602 ODNBEVFQEBOGFF-UHFFFAOYSA-N 308.216 -0.444 50 20 DBGD CC1(C)OCC(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CO1 758736443 POIWBMOCUQIZHS-GFCCVEGCSA-N 321.399 -0.481 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CCN1 760317488 DTYHQPMFNUOISN-SNVBAGLBSA-N 319.317 -0.255 50 20 DBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1Cc2ccccc2C1 761422366 WDPVZVKYUSHUBF-GFCCVEGCSA-N 322.386 -0.017 50 20 DBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cn1 762739128 XZEUWWATYZJOLN-UHFFFAOYSA-N 309.307 -0.868 50 20 DBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cn1 764210355 BBLAVOKGWRKHAY-UHFFFAOYSA-N 323.353 -0.484 50 20 DBGD CCS(=O)(=O)NCCCNS(=O)(=O)CBr 769933929 KVFMXIWXLXTVRJ-UHFFFAOYSA-N 323.234 -0.412 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1ccncc1)[C@H]1CN(C)CCO1 770115772 BOVSYNHYWJOXLF-WCQYABFASA-N 321.381 -0.326 50 20 DBGD C[C@@H](C#N)CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 781951832 RAFSSEGMIKNNLZ-VIFPVBQESA-N 314.309 -0.234 50 20 DBGD O=C(CN1CCOCC1)NNC(=O)Nc1ccc2c(c1)OCO2 802103986 OCQHHHUNGUWHQN-UHFFFAOYSA-N 322.321 -0.100 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCCNC(=O)c1ccco1 825617045 BLBYCLYKGAHUSR-ZJUUUORDSA-N 324.337 -0.235 50 20 DBGD CC(C)NC(=O)CCNC(=O)NNC(=O)[C@H]1CCO[C@H]1C 825681170 HNEZOGCHCFILOZ-UWVGGRQHSA-N 300.359 -0.344 50 20 DBGD O=C(NNc1nc(-c2cccnc2)no1)C1(n2cnnn2)CC1 827105215 ARKAOMTXLPCGGT-UHFFFAOYSA-N 313.281 -0.250 50 20 DBGD C[C@@H](N)C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 831202433 GMGWRFWTRCJLNY-RKDXNWHRSA-N 311.342 -0.534 50 20 DBGD C[C@H]1OC(=O)N[C@@H]1C(=O)NNC(=O)COc1ccc(C#N)cc1 841375489 GSJSQLCICXPNIH-PELKAZGASA-N 318.289 -0.419 50 20 DBGD CC(C)NC(=O)CNC(=S)NNC(=O)[C@@H]1CCO[C@H]1C 843278476 ZIFUWHWLIFUGKC-DTWKUNHWSA-N 302.400 -0.569 50 20 DBGD C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccnc2c1nnn2C 843652564 BIYKCMNPJKHKHI-SFYZADRCSA-N 304.310 -0.451 50 20 DBGD COC(=O)c1ccc(NNC(=O)[C@H]2CCS(=O)(=O)N2)nc1 845889491 VEKKNMZVJIZUOQ-MRVPVSSYSA-N 314.323 -0.997 50 20 DBGD CC(C)(C)OC(=O)NCc1nocc1C(=O)NNC(=O)CO 848372827 GECDSKGAKGXLMZ-UHFFFAOYSA-N 314.298 -0.547 50 20 DBGD CC(C)(C)C(=O)NCCCC(=O)NNC(=O)[C@]1(O)CCOC1 855825342 BJCPPUODCLEYFZ-AWEZNQCLSA-N 315.370 -0.772 50 20 DBGD CO[C@@H](CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 858218843 WJHMAYTWVOMBMF-RITPCOANSA-N 312.248 -0.827 50 20 DBGD C#Cc1cccc(CNC(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 858524332 AORPYGSANDOLFB-LBPRGKRZSA-N 300.318 -0.223 50 20 DBGD CC(C)(C)[C@H]1CN(C(=O)NNC(=O)[C@@H]2CCC(=O)N2)CCO1 858699307 NWXLJVGBXXJXBF-VHSXEESVSA-N 312.370 -0.247 50 20 DBGD O=C(Cc1ccc2c[nH]nc2c1)NNC(=O)[C@@H]1CCC(=O)N1 862459684 XBMXIDLAPFRDPW-JTQLQIEISA-N 301.306 -0.469 50 20 DBGD CCOc1nccc(C)c1C(=O)NNC(=O)CS(C)(=O)=O 863465149 VGEUERLARXCLFW-UHFFFAOYSA-N 315.351 -0.406 50 20 DBGD Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)cc12 864230755 FKTHGEJKICYFOI-MRVPVSSYSA-N 311.128 -0.231 50 20 DBGD CCNC(=O)N(C)NC(=O)CN1CCC[C@H](C(=O)OCC)C1 907252756 JFRIGAFTINQIRR-NSHDSACASA-N 314.386 -0.046 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)CN1 915695471 SXCPQNFAWVJRNE-SECBINFHSA-N 309.297 -0.122 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(OC)c(C)cc1C 1256419666 UYVVGUWEWFVWHS-UHFFFAOYSA-N 323.305 -0.429 50 20 DBGD C[S@@](=O)C1(CNC(=O)NNC(=O)Cc2cccnc2)CC1 1256568324 YSGQAPATOFLZIL-OAQYLSRUSA-N 310.379 -0.134 50 20 DBGD CCc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)nn1C 1319977082 CEJDILJOCCDSNV-UHFFFAOYSA-N 319.321 -0.234 50 20 DBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(OC2COC2)cc1 1320541638 XWGCPWYGLKFTIH-UHFFFAOYSA-N 307.306 -0.040 50 20 DBGD C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ncnn1C 1321798523 VWTOVRHHPOVJEC-VIFPVBQESA-N 303.326 -0.156 50 20 DBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1ccco1)n1cncn1 1323269811 OOUGBRHZHPQZMK-MRVPVSSYSA-N 306.282 -0.991 50 20 DBGD COC(=O)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F 1338694670 YJLRVUWZFJYLOZ-UHFFFAOYSA-N 319.195 -0.637 50 20 DBGD O=C(NNC(=O)c1ccccn1)c1ccnc(-c2nn[nH]n2)c1 1593159006 RHYPKDJXSBWBCM-UHFFFAOYSA-N 310.277 -0.269 50 20 DBGD Cn1cc(/C=C(/C#N)C(=O)NC[C@]2(C(=O)O)CCOC2)cn1 1600946653 NRRBTZVHSUQOLL-CNRJSHIUSA-N 304.306 -0.065 50 20 DBGD COC(=O)N(C)NC(=O)COc1cccc(-c2nn[nH]n2)c1 1604949842 ODPSTWPOJXDJPU-UHFFFAOYSA-N 306.282 -0.025 50 20 DBGD C[C@@H](C(=O)NNc1ncc(F)cn1)n1cnc(-c2nn[nH]n2)n1 1609071262 ZUSWVCHUSQPMEN-YFKPBYRVSA-N 319.264 -0.908 50 20 DBGD Cc1c(/C=C(\C#N)C(=O)N[C@@H](CO)C(=O)O)cc(C#N)n1C 1610411077 LWMAPLWCDZJPEC-IYMAKHKGSA-N 302.290 -0.326 50 20 DBGD O=C(c1nc[nH]n1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350616 NMKBOVUYHOIUAN-QMMMGPOBSA-N 313.745 -0.779 50 20 DBGD C[C@H]1Oc2c(cccc2C(=O)NNC(=O)CN(C)C)NC1=O 265097133 VXAMTXNISILJAI-MRVPVSSYSA-N 306.322 -0.271 50 20 DBGD C[C@@H](C(=O)NNC(=O)COCc1ccccc1)S(C)(=O)=O 265607666 JWIRJAODHKZCCW-JTQLQIEISA-N 314.363 -0.216 50 20 DBGD CNC(=O)[C@H]1CN(C(=O)NNC(=O)c2ccccc2C)CCO1 272780540 OEZDMDWOEHCIFJ-GFCCVEGCSA-N 320.349 -0.204 50 20 DBGD COc1cccc(NNC(=O)CCS(=O)(=O)N(C)C)n1 273032726 TYJYHXOHTQEZRL-UHFFFAOYSA-N 302.356 -0.185 50 20 DBGD CC(C)[C@@H](O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 285123968 QASPPKSVPKFIFI-LLVKDONJSA-N 304.310 -0.560 50 20 DBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)[C@@H]1CCCO1 293876288 DEDOYUCUYBRAQH-NSHDSACASA-N 307.306 -0.552 50 20 DBGD CC[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1ccc(F)cc1 299200791 GAVNYZFFSLSUKV-LBPRGKRZSA-N 322.340 -0.203 50 20 DBGD COC(=O)NCC(=O)NNc1nnc(-c2ccccn2)s1 373746855 RAEMIFGCANKXJJ-UHFFFAOYSA-N 308.323 0.399 50 20 DBGD CNC(=O)NNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 493693054 KEGQDAWWVGCNEQ-SECBINFHSA-N 316.358 -0.027 50 20 DBGD CCOC(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C 496762110 AJAFTZQMFLYVSM-UHFFFAOYSA-N 318.330 -0.595 50 20 DBGD C[C@@H](CO)C1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 585002721 DXGIQUXQGUIYMN-JTQLQIEISA-N 309.146 -0.014 50 20 DBGD CC(=O)N1CCCc2cc(S(=O)(=O)NCB(O)O)ccc21 585053861 DUJSGCLODLXWGO-UHFFFAOYSA-N 312.156 -0.724 50 20 DBGD O=C(CN1CCCNC1=O)NNc1nc(-c2cccnc2)no1 728077401 UINCWJRMAYBWBX-UHFFFAOYSA-N 317.309 -0.010 50 20 DBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 728386673 HJPLYBIQYKAGIJ-ZYHUDNBSSA-N 324.358 -0.428 50 20 DBGD CN1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 736847670 IVGNXYPBMOCBIG-NSHDSACASA-N 315.337 -0.421 50 20 DBGD CCN1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1=O 755284149 MOMXZZYHQMCQMY-UHFFFAOYSA-N 318.377 -0.080 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC[C@@H]1CCCCO1 758040727 RHCPEFFAEPUROX-ZJUUUORDSA-N 321.399 -0.579 50 20 DBGD CC(C)(O)C(=O)NNC(=O)C(=O)c1cnn(-c2ccccc2)c1 768243973 ITKHQWQIMVKXON-UHFFFAOYSA-N 316.317 -0.027 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=S)NC(C)(C)C 769229588 AFCDBDIKZAIMOY-UHFFFAOYSA-N 317.459 -0.263 50 20 DBGD CCN1CCN(c2cccc(NC(=O)NNC(=O)CO)c2)CC1 771272542 LTMRADRVNILGDS-UHFFFAOYSA-N 321.381 -0.027 50 20 DBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCN(C)C2=O)cc1 771881940 QSUMYMLGBCNJSB-GFCCVEGCSA-N 305.334 0.000 50 20 DBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778445878 VQVKCPURNAJPFV-MRVPVSSYSA-N 316.358 -0.427 50 20 DBGD CC(=O)NCC(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 798007664 LICFERRXXYJOCE-UHFFFAOYSA-N 307.306 -0.565 50 20 DBGD CN1CCN(C(=O)NNC(=O)c2cc3c(cc2O)OCO3)CC1 807381653 CKWMGPNJVJVDHJ-UHFFFAOYSA-N 322.321 -0.277 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N1CCN(C(=O)C2CC2)C1 827259011 GPVGPUSZWWZHFC-GXSJLCMTSA-N 310.354 -0.336 50 20 DBGD Cc1ccc(C(=O)NNC(=O)c2cnn(C[C@H](O)CO)c2)o1 829830969 HNMXNCMBIDGSAA-JTQLQIEISA-N 308.294 -0.787 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccc(C(N)=O)n1 831571015 MYZDGMHLVZNBDP-JGVFFNPUSA-N 307.310 -0.242 50 20 DBGD Cc1nonc1CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 845079411 BKGRSJLYGAWACN-LBPRGKRZSA-N 318.289 -0.092 50 20 DBGD O=S(=O)(CBr)N1CCN([C@H]2CCNC2)CC1 850588019 RCOVCOXWFASPKM-VIFPVBQESA-N 312.233 -0.352 50 20 DBGD COC(=O)c1cccc(NNC(=O)CN2CCNC(=O)C2)c1C 912452271 SOMIGQFXOHNDQB-UHFFFAOYSA-N 320.349 -0.343 50 20 DBGD Cc1nc(C)c(CC(=O)NNC(=O)c2cnn(C)c2)c(O)n1 1116084975 LOTNQFGDCXQMDR-UHFFFAOYSA-N 304.310 -0.464 50 20 DBGD Cn1ccnc(NNC(=O)CS(=O)(=O)C(C)(C)C)c1=O 1253981948 VWTAPGZEEPVKIL-UHFFFAOYSA-N 302.356 -0.563 50 20 DBGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNc2cccnn2)C1 1319459626 LYQOLEKRXWCAKY-SECBINFHSA-N 314.371 -0.616 50 20 DBGD C[C@H](NC(N)=O)C(=O)NNc1ccccc1S(C)(=O)=O 1320705183 NCCZIRWPGRHTFA-ZETCQYMHSA-N 300.340 -0.410 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)[C@H]1CCCOC1 1320793436 UJMCHIMDCROTDF-MNOVXSKESA-N 312.370 -0.246 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)NCC(F)(F)F)nn12 1325108256 RJNNBNLPJJCCOP-UHFFFAOYSA-N 317.231 -0.061 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(NC(N)=O)CC1 1326398690 WLBVCJNRIJYDPR-UHFFFAOYSA-N 302.331 -0.876 50 20 DBGD Cc1ccc(C(=O)NNC(=O)Cn2cnnc2[S@](C)=O)cc1 1327920356 LJZMDUFNISZWFV-QFIPXVFZSA-N 321.362 -0.215 50 20 DBGD COc1ccccc1CNC(=O)NNC(=O)[C@H]1CCC(=O)N1 1331496536 CFHVPYASVNBXIC-SNVBAGLBSA-N 306.322 -0.196 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cn(C(C)C)cn1 1341082956 LZTYPTULDBYYAJ-UHFFFAOYSA-N 317.371 -0.702 50 20 DBGD COc1cc(NC(=O)C(=O)NNC(=O)c2cccn2C)ccn1 1342418044 TZXRVVXUCZKPCY-UHFFFAOYSA-N 317.305 -0.172 50 20 DBGD C[C@]1(C(=O)N2CCN(C(=O)C(=O)O)CC2)C[C@H]1Br 1589181611 MXFMYQJABMASNS-HQJQHLMTSA-N 319.155 -0.085 50 20 DBGD C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)CO 1589897868 PBQAIUYIHRWSRT-MRVPVSSYSA-N 304.310 -0.815 50 20 DBGD O=C(CO)NNC(=O)c1ccc2c(-c3nn[nH]n3)c[nH]c2c1 1592878669 NLXHCUZPZBJUEO-UHFFFAOYSA-N 301.266 -0.899 50 20 DBGD COC[C@]1(C(=O)O)CCCCN1CC(=O)NNC(=O)C(C)C 1599188128 MAZNEFNRIRVUCG-AWEZNQCLSA-N 315.370 -0.255 50 20 DBGD O=C(Cc1ccc(C(=O)O)cc1)NNC(=O)[C@@H]1CCC(=O)N1 1601355965 CCDCKJXLRPWOGJ-JTQLQIEISA-N 305.290 -0.647 50 20 DBGD CC(C)(C(=O)NNC(=O)CO)c1ccc(-c2nn[nH]n2)cc1 1603044065 NPLJEUJUPOFYKK-UHFFFAOYSA-N 304.310 -0.716 50 20 DBGD O=C(O)CC1(CC(=O)NNC(=O)[C@H]2COCCO2)CCCC1 1610753772 WMDGQCBVVKAJME-SNVBAGLBSA-N 314.338 -0.026 50 20 DBGD Cn1ncc(C(=O)O)c1C=NNC(=O)c1ccc(=O)n(C)c1 1776103788 ZZPMARFKTIXXEC-UHFFFAOYSA-N 303.278 -0.419 50 20 DBGD CNC(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1 111265339 WNJXOEVBHXPTRA-JTQLQIEISA-N 324.406 -0.033 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F 126479256 RFWRTPMXZPADTN-UHFFFAOYSA-N 318.255 -0.249 50 20 DBGD C[C@H](CBr)CN1CCN2C(=O)C(=O)NC[C@H]2C1 248704119 LLRARLYBTQNHNK-BDAKNGLRSA-N 304.188 -0.340 50 20 DBGD C#CCN1CCC(C(=O)NNC(=O)C(=O)NC(CC)CC)CC1 265897353 SSTCXERYKNBOFN-UHFFFAOYSA-N 322.409 -0.216 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@]1(O)CCSC1 271007063 RFZJLLHEPKAFTF-CQSZACIVSA-N 320.374 -0.108 50 20 DBGD COc1ccnc(NNC(=O)Cn2c(C)cc(C)nc2=O)n1 274147211 BKOYANWFFKXMCH-UHFFFAOYSA-N 304.310 -0.198 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1cn(Cc2cccs2)nn1 276183974 CYAALDKWWBZBOR-UHFFFAOYSA-N 309.351 -0.080 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)COc1ccc(F)cc1 299058951 MNUQJYCBXHVNFY-UHFFFAOYSA-N 304.299 -0.604 50 20 DBGD CC(C)N1C(=O)C[C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C1=O 491158248 DLTKZKJQMXXLEZ-KBVBDRTLSA-N 315.333 -0.021 50 20 DBGD O=C(NCCNC(=O)C1CCCC1)c1ccc(B(O)O)cc1 584936087 DMQLEZKSVJFOST-UHFFFAOYSA-N 304.155 -0.597 50 20 DBGD CNC(=O)CC1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584955092 NZMJKQFPDFOUFK-UHFFFAOYSA-N 304.155 -0.645 50 20 DBGD CCOCCOC1CN(C(=O)c2ccc(B(O)O)c(F)c2)C1 584971614 VDRGCVFVPFYJHG-UHFFFAOYSA-N 311.118 -0.617 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOCC(F)(F)C1 584991663 FMMGKCSHWKELMS-UHFFFAOYSA-N 303.045 -0.387 50 20 DBGD CCN(CC(=O)NNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 733193079 AYTQXNYUDNQQBP-JTQLQIEISA-N 303.384 -0.947 50 20 DBGD CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)CS(=O)(=O)CC 733197349 PQPLHVATWSIDEZ-JTQLQIEISA-N 319.427 -0.311 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)NC3=O)cn1 735522605 UZFSGJNNAQEFCV-UHFFFAOYSA-N 313.273 -0.622 50 20 DBGD Cc1ccc(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 753958183 HNCYBURWEGEDHU-SECBINFHSA-N 315.351 -0.352 50 20 DBGD COC(=O)c1cc(NC(=O)NNC(=O)CO)c(F)cc1F 755849408 MFSLNUYEQGVTPI-UHFFFAOYSA-N 303.221 -0.104 50 20 DBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)c2ccc[nH]2)cn1 756800662 CASFHALNMYMFLJ-UHFFFAOYSA-N 319.325 -0.234 50 20 DBGD CCCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 762741213 BRPPKALLHPQABJ-UHFFFAOYSA-N 315.355 -0.527 50 20 DBGD CCC[C@@](C)(O)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 770885770 YEQNWMFMWQICPI-LDYMZIIASA-N 307.372 -0.945 50 20 DBGD COC[C@@](C)(NS(=O)(=O)CBr)C(=O)OC 782470620 FONAWZFPUDNRJX-SSDOTTSWSA-N 304.162 -0.164 50 20 DBGD COc1cccc(C[C@H](O)C(=O)NNC(=O)C(=O)NC(C)C)c1 785399883 ANJIEADECSGWHN-LBPRGKRZSA-N 323.349 -0.729 50 20 DBGD C[C@H]1COC(=O)C1=NNC(=O)c1ccc(-n2cnnn2)cc1 794882782 UKAJFOOQHXVTED-QMMMGPOBSA-N 300.278 -0.059 50 20 DBGD CS(=O)(=O)NCCC(=O)NNC(=O)Nc1ccccc1 801992381 KYODACOFQNUTGS-UHFFFAOYSA-N 300.340 -0.221 50 20 DBGD COCCN(C)NC(=O)c1ccc(CNS(C)(=O)=O)o1 808075142 RAPZNRGGVCQEAB-UHFFFAOYSA-N 305.356 -0.448 50 20 DBGD C=C[C@@H](O)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 814546571 GHIMMOSFJYWNEJ-SNVBAGLBSA-N 323.261 -0.554 50 20 DBGD C[C@@H](CO)N(C)NC(=O)CCNS(=O)(=O)c1cccs1 823988990 YXYLLDYKMFWOSN-VIFPVBQESA-N 321.424 -0.240 50 20 DBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 824449245 MYLSJECVDCKNMB-MRVPVSSYSA-N 324.366 -0.010 50 20 DBGD CC(=NNC(=O)Cc1ccccn1)c1cn(CC(=O)O)nn1 825798482 LLEDPSRABXCYDY-UHFFFAOYSA-N 302.294 -0.159 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)Nc2cnn(CC3CC3)c2)N1 860710546 YLXOKZFTRSQHQK-JTQLQIEISA-N 306.326 -0.276 50 20 DBGD CC(C)(C)N1CC[C@@H]1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 862993091 MDGSNGLJIDMQKK-VHSXEESVSA-N 317.411 -0.559 50 20 DBGD C[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)N1[C@H](C)CC[C@H]1C 863460628 FNQPZXGCFACCLS-BBBLOLIVSA-N 305.400 -0.560 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H](C#N)CCc1ccccc1 863465163 VSOMFXZFYHPTBL-GFCCVEGCSA-N 323.374 -0.049 50 20 DBGD O=C(c1ccc(B(O)O)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 863874330 PEGTXFBQWDLHHP-LSDHHAIUSA-N 318.182 -0.962 50 20 DBGD O=C(N[C@@H]1CCCCC12OCCO2)c1cccc(B(O)O)c1 863875777 GCYKLQGECUXEDX-CYBMUJFWSA-N 305.139 -0.218 50 20 DBGD COC(=O)CC1(CS(=O)(=O)N2CC[C@@H](B(O)O)C2)CC1 864231013 INDYHPYCZQDLGZ-SECBINFHSA-N 305.161 -0.792 50 20 DBGD O=C1CN(CC(=O)NNc2cnc3ccccc3n2)CCN1 907393001 XVPBMFRKEDHBDR-UHFFFAOYSA-N 300.322 -0.495 50 20 DBGD COc1ccc(CNC(=S)NNC(=O)[C@H]2CCC(=O)N2)cc1 913514801 JOHPZSLXYWRIQI-LLVKDONJSA-N 322.390 -0.031 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccn2)n1 1120770632 ARWCMRSCKASKKJ-UHFFFAOYSA-N 316.321 -0.319 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCN(CC(F)F)CC1 1328660948 FHYJONANSOHDMX-UHFFFAOYSA-N 320.340 -0.365 50 20 DBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCc3ncncc3C2)cn1 1349419977 DLMSQYLIGWDNKP-SECBINFHSA-N 300.322 -0.224 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]12CCC[C@@H]1NCC2 1577069634 NBOIQBVDLCVOLT-XHDPSFHLSA-N 310.398 -0.029 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)NC[C@@H]2CNCCCO2)n1 1579585252 YEDBFWXXHGRPNS-LBPRGKRZSA-N 324.385 -0.791 50 20 DBGD O=C(NCc1ccco1)NNC(=O)[C@@]1(F)CNCC12COC2 1580722945 BZJDXTGCPYUVJU-ZDUSSCGKSA-N 312.301 -0.562 50 20 DBGD O=C(NNC(=O)c1cnnn1C1CCNCC1)c1ccccn1 1580737296 NDLNEFYSTICCKI-UHFFFAOYSA-N 315.337 -0.328 50 20 DBGD CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)NCC(=O)O 1606061249 WSNFUUMOCMVVMT-UHFFFAOYSA-N 319.321 -0.183 50 20 DBGD NC(=O)[C@@H]1CC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1606411651 YTAYGIGJGFXAAJ-HTQZYQBOSA-N 302.298 -0.784 50 20 DBGD C[C@@H](C(=O)NNc1ccc(C(=O)O)cn1)N1CCN(C)CC1 1609636449 UZZFKVJSGSSCAL-JTQLQIEISA-N 307.354 -0.141 50 20 DBGD CC(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841418642 LYSITOFZHKLPDM-MNOVXSKESA-N 318.801 -0.194 50 20 DBGD Nc1nccnc1C(=O)OCC(=O)NNC(=O)c1cccs1 10138978 RKHZDXPOLXUKEQ-UHFFFAOYSA-N 321.318 -0.262 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2C1 70719933 WBCFYHWCXVBMCW-LLVKDONJSA-N 305.334 -0.090 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)Cn1cnnn1 101701675 CJNKHHVEPFABQB-UHFFFAOYSA-N 300.282 -0.910 50 20 DBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H]1C(N)=O 178369389 HSIJGKKPRKIKFL-CYBMUJFWSA-N 318.377 -0.365 50 20 DBGD COc1cc(C)nc(NNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 266878418 NLWNPRGHGBRJTP-MRVPVSSYSA-N 315.355 -0.393 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2cnc3n(c2=O)CCS3)[nH]n1 268836073 NNAFNCTUOGQJQA-UHFFFAOYSA-N 320.334 -0.545 50 20 DBGD C[C@H](C(=O)NNC(=O)COc1ccccc1F)S(C)(=O)=O 298594779 WEMDOPLKLOIAKT-MRVPVSSYSA-N 318.326 -0.215 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 496173208 TXDKJMJTKHMVRM-UHFFFAOYSA-N 322.364 -0.018 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(B(O)O)ccc1F 584958733 RWUPYJUJXYGFKQ-YMTOWFKASA-N 306.146 -0.282 50 20 DBGD C[C@H]1CCN(C(=O)c2ccc(B(O)O)c(F)c2)[C@@H](C(N)=O)C1 584975631 WSJKHZUXYFMQEK-QPUJVOFHSA-N 308.118 -0.769 50 20 DBGD COCCN1CCC(CNCc2ccc(B(O)O)cc2)CC1 585019861 IRDXJNCQBJOHII-UHFFFAOYSA-N 306.215 -0.186 50 20 DBGD COCC(=O)N[C@H](C(=O)NNc1ccnc(N(C)C)n1)C(C)C 741287255 QSKKIOSHCOKIHQ-LBPRGKRZSA-N 324.385 -0.227 50 20 DBGD CC(C)(CO)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744928380 VCBXYEHYDBVLRU-UHFFFAOYSA-N 319.317 -0.119 50 20 DBGD CN1C[C@@H](NC(=O)NNc2ccc(-n3cccn3)nn2)CC1=O 750652579 DTLYNYSFJHNSIH-VIFPVBQESA-N 316.325 -0.481 50 20 DBGD CNC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 752513018 BWIZPTLVYVEEST-UHFFFAOYSA-N 304.303 -0.692 50 20 DBGD C#CCOCCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 756746895 YRMZLBZMEQFLIZ-BETUJISGSA-N 311.382 -0.327 50 20 DBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2s1 764420287 CRJBQRWWWCVKFI-UHFFFAOYSA-N 308.319 -0.317 50 20 DBGD CCNC(=O)N(C)NC(=O)c1ccc(S(N)(=O)=O)s1 768413514 SMCOHRBJHXHRJC-UHFFFAOYSA-N 306.369 -0.298 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cncc(C(=O)OC)c1 772241050 ZUDWRWWJCYVONU-MRVPVSSYSA-N 323.305 -0.029 50 20 DBGD COCCCOCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 776190260 QGJJOOVKZRDVLX-LLVKDONJSA-N 308.400 -0.468 50 20 DBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)C(C)C 776944936 WULURNYUAVPANK-WDEREUQCSA-N 303.359 -0.207 50 20 DBGD C[C@H]1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)CO1 784153884 FOABAQXLZBNZDC-ONGXEEELSA-N 306.322 -0.616 50 20 DBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)C(C)C)CC1 808070575 ZHWHNUYLFOMPFS-UHFFFAOYSA-N 321.399 -0.217 50 20 DBGD COCCN(C)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 808074806 LFTFJDNVQIZNHL-UHFFFAOYSA-N 300.359 -0.294 50 20 DBGD COc1nccnc1NNC(=O)[C@@H]1CCCS(=O)(=O)C1 816971056 RYFDHESTXHSDMK-MRVPVSSYSA-N 300.340 -0.247 50 20 DBGD C[C@H](N)C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1 831202428 GMGWRFWTRCJLNY-DTWKUNHWSA-N 311.342 -0.534 50 20 DBGD COc1ccc(S(=O)(=O)NNC(=O)NCC(=O)O)c(C)c1 833734306 VVCYMOAZIONKLK-UHFFFAOYSA-N 317.323 -0.419 50 20 DBGD O=C(NN=C1CCCn2ccnc21)N[C@@H]1CCS(=O)(=O)C1 848402598 DTLGFZKJCFXHFB-SECBINFHSA-N 311.367 -0.133 50 20 DBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1cccnc1 849129204 FGTHCZIOKPAVHR-UHFFFAOYSA-N 307.354 -0.701 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1ccc2nnnn2c1 854282739 SCKXTVPQVKIGFE-UHFFFAOYSA-N 323.382 -0.388 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)CC(F)(F)F)c(=O)n1 855000383 HIQPEFSTQDYNFP-UHFFFAOYSA-N 306.244 -0.040 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCC3(CCOCC3)CC2)N1 858701444 WVNHQRULWSHAGH-NSHDSACASA-N 324.381 -0.102 50 20 DBGD CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCC(=O)N1)N1CCCCC1 862452157 JQMJEXUHTCMHDK-WCQYABFASA-N 310.398 -0.077 50 20 DBGD CN(C)[C@H](C(=O)NNC(=O)CS(C)(=O)=O)c1ccccc1 863460894 OIVUCAMCYDOJAY-LBPRGKRZSA-N 313.379 -0.519 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1cccc(F)c1F 863462023 CTMMEBYLZWUKLH-UHFFFAOYSA-N 306.290 -0.301 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)C[C@@H](O)c1cccc(F)c1 863464710 SNMSFQZBPQOLMG-SNVBAGLBSA-N 318.326 -0.559 50 20 DBGD COCCn1cc(C(=O)NNC(=O)Cc2cccnc2)cn1 865167976 VXBRUKZYBGOCPA-UHFFFAOYSA-N 303.322 -0.072 50 20 DBGD C[C@H](CO)N(C)NC(=O)c1cccn1CCN1CCOCC1 911444305 DAQCHMFOOYOAIX-CYBMUJFWSA-N 310.398 -0.222 50 20 DBGD NC(=O)CSCC(=O)NNC(=O)COc1ccc(F)cc1 915263041 MKNPAEAOQAIATO-UHFFFAOYSA-N 315.326 -0.430 50 20 DBGD CCNC(=O)CNC(=O)NNC(=O)Cc1ccccc1OC 919902155 YZVGUIWMEMZDOE-UHFFFAOYSA-N 308.338 -0.296 50 20 DBGD CCN1CCC(NC(=O)NNC(=O)C(=O)N2CCCC2)CC1 1115925786 XFOPZHVCSGOJDM-UHFFFAOYSA-N 311.386 -0.577 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)c1cc[n+]([O-])cc1 1318520932 FAMSEMXVNSITQP-UHFFFAOYSA-N 303.274 -0.134 50 20 DBGD CC[C@H](NC(=O)NNC(=O)C(=O)NC1CC1)C1CCOCC1 1318867581 WWNXMSBCDMLWPJ-NSHDSACASA-N 312.370 -0.199 50 20 DBGD C[C@H](C(=O)NNc1nncc(N)c1Cl)N1C(=O)CCC1=O 1322645845 JZDKROHAJULDMH-RXMQYKEDSA-N 312.717 -0.307 50 20 DBGD Cn1cc(C(=O)NNC(=O)C(=O)Nc2ccccc2F)cn1 1325520049 UUZVUFMUWVAKBD-UHFFFAOYSA-N 305.269 -0.041 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(-n2cccn2)c1 1325520271 WTIKGBQWOXXDOG-UHFFFAOYSA-N 317.305 -0.659 50 20 DBGD CN(C)N(C(=O)[C@@H]1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1329017772 MSWXAZAETMHNMZ-ZJUUUORDSA-N 324.424 -0.944 50 20 DBGD Cc1nc(Cn2cc(C(=O)NNC(=O)CC3CC3)nn2)no1 1344016503 LRCCJHVXFMWRSR-UHFFFAOYSA-N 305.298 -0.421 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)C[C@@H]1CCC(=O)N1C 1350777806 BEIWUVIGZPROOH-JTQLQIEISA-N 312.370 -0.551 50 20 DBGD C[C@]1(C(=O)NNC(=O)COc2ccccc2O)C[C@@H](O)CN1 1573600614 HUUYPTNESWGLMH-YMTOWFKASA-N 309.322 -0.969 50 20 DBGD CO[C@H]1CN[C@H](C(=O)NNC(=O)NCCc2cccs2)C1 1574006834 UVFFVMZCAAHVRV-KOLCDFICSA-N 312.395 -0.002 50 20 DBGD O=C(NNC(=O)[C@H]1CCN1)[C@@H]1CC(=O)N(Cc2ccco2)C1 1580732700 GRHBIWBZZRSZJZ-MWLCHTKSSA-N 306.322 -0.863 50 20 DBGD CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1602852880 SLXFVCRHYSQSOI-HTQZYQBOSA-N 320.367 -0.685 50 20 DBGD O=C(NNc1cccnn1)C(=O)Nc1cncc(C(=O)O)c1 1605821000 QPHZNEJDHBYZQY-UHFFFAOYSA-N 302.250 -0.348 50 20 DBGD Cn1c(N)c(C(=O)/C(C#N)=C/c2cccnc2)c(=O)n(C)c1=O 7318066 BNYJQIWOJJUZOF-UXBLZVDNSA-N 311.301 -0.149 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(F)c1 7725945 KJKZDCXTYGTIRY-UHFFFAOYSA-N 303.315 -0.340 50 20 DBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)cc1OC 196494957 HXJCQYFKBILMCU-ZETCQYMHSA-N 310.310 -0.478 50 20 DBGD C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)C(=O)N1CCCC1 266803650 DHNQWYDIMKWOFK-INIZCTEOSA-N 319.361 -0.250 50 20 DBGD O=C(COc1ccccc1O)NNC(=O)C(=O)N1CCCC1 269426782 FVCVIWMVWNCEHN-UHFFFAOYSA-N 307.306 -0.459 50 20 DBGD Cc1ccc(NNC(=O)NCCNC(=O)c2ccn[nH]2)nn1 272465834 DAUZLAPHXIVXCQ-UHFFFAOYSA-N 304.314 -0.436 50 20 DBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNc2nc3ccccn3n2)O1 276792545 CWWLYUVEJSYFEH-BDAKNGLRSA-N 319.325 -0.612 50 20 DBGD CCO[C@@H]1C[C@@](O)(CNC(=O)c2ccc(B(O)O)cc2)C1(C)C 584980010 NJRSHHIFAAIIPV-CZUORRHYSA-N 321.182 -0.338 50 20 DBGD CN1CCO[C@@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@@H]21 584987887 WXXCNJQZIQQCCH-UONOGXRCSA-N 322.145 -0.949 50 20 DBGD NC(=O)NCCC(=O)NNC(=O)c1cc(Br)c[nH]1 726293744 LOVWUZQDRHTMAN-UHFFFAOYSA-N 318.131 -0.403 50 20 DBGD C[C@H](NC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)N(C)C 728953363 FEJUMIYDOMNTKT-VIFPVBQESA-N 303.322 -0.021 50 20 DBGD Cn1cc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cn1 735524174 IFJJLRFEFMVQJT-UHFFFAOYSA-N 323.334 -0.858 50 20 DBGD Cc1nnccc1C(=O)NNC(=O)CNC(=O)c1cccnc1 753300066 QPJYZNLOZOXNDO-UHFFFAOYSA-N 314.305 -0.629 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CN(C2CC2)C[C@H]1C 755889115 KSZQFVLPULHNFR-BDAKNGLRSA-N 302.400 -0.490 50 20 DBGD Cn1cccc1C(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 763263336 WBMLUBKNXSXELE-UHFFFAOYSA-N 323.334 -0.858 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1cc(OC)ccc1OC 764299774 JAFNDYJNCIVWHP-UHFFFAOYSA-N 311.294 -0.564 50 20 DBGD CCS(=O)(=O)NCc1ccc(C(=O)NN(C)C(N)=O)cc1 770439539 JCPGEMNFSKJNTL-UHFFFAOYSA-N 314.367 -0.219 50 20 DBGD COc1ccnc(NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)n1 771832692 KSDZSSWYQPCFRT-CYBMUJFWSA-N 322.325 -0.303 50 20 DBGD O=C(NNC(=O)C1(O)CCOCC1)[C@@H]1COc2ccccc2O1 771859169 PAWPQBMRVVBPBG-LBPRGKRZSA-N 322.317 -0.485 50 20 DBGD CN1CCN(C(=O)NNC(=O)COC[C@H]2CCCO2)CC1 788169598 RNDQAPPOWKRAQA-LLVKDONJSA-N 300.359 -0.830 50 20 DBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2ncn(C)n2)cc1 811357076 WBOCEBAEPRUTIR-UHFFFAOYSA-N 317.305 -0.258 50 20 DBGD O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(F)n1 818414790 CRRYYVIBRHBHJB-MRVPVSSYSA-N 306.297 -0.007 50 20 DBGD CCN(CCO)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 823856169 MIWYPLLPTGWXDZ-UHFFFAOYSA-N 321.443 -0.170 50 20 DBGD CCN(CCO)NC(=O)COCCNC(=O)c1ccccc1 823873666 FUIFZIVBTBAGRN-UHFFFAOYSA-N 309.366 -0.222 50 20 DBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NN(C)[C@H](C)CO 823965526 OKQUETPWLAAPDB-HTQZYQBOSA-N 300.388 -0.168 50 20 DBGD C=CCCn1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)nn1 853302390 BOLGPCHAEZBSMD-VIFPVBQESA-N 314.371 -0.758 50 20 DBGD C=CCNC(=S)NNC(=O)[C@H](C)n1cnc2c(N)ncnc21 854185576 BWPXPCNFTQEVPE-ZETCQYMHSA-N 320.382 -0.349 50 20 DBGD CNC(=S)N(C)NC(=O)[C@H](C)n1cnc2c(N)ncnc21 854927694 OPGQTJSWJQOBPY-LURJTMIESA-N 308.371 -0.563 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)c2cnc3n2CCCCC3)N1 862463954 PLOLFVWYHDWQSV-VIFPVBQESA-N 305.338 -0.351 50 20 DBGD NC(=O)c1ncn(CC(=O)NNCC(F)(F)C(F)(F)F)n1 863102214 CTJRYUKFAZKJOL-UHFFFAOYSA-N 316.190 -0.805 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)N1 863414377 UJDFHRFNPUFHBZ-LBPRGKRZSA-N 323.374 -0.237 50 20 DBGD CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C1(C)C 863465229 YLNRJUIQLPSEEL-DTWKUNHWSA-N 304.368 -0.570 50 20 DBGD C[C@@H](Oc1ccccn1)C(=O)NNC(=O)CS(C)(=O)=O 863466097 PNAULQNOBIBHIJ-MRVPVSSYSA-N 301.324 -0.959 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)C1CN(C2CCOCC2)C1 896174657 JPGSYSLYHHLAGL-UHFFFAOYSA-N 318.377 -0.118 50 20 DBGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)NC)CC1 919879655 ZFQBKKICMULDIZ-UHFFFAOYSA-N 320.415 -0.212 50 20 DBGD CC(C)NC(=S)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1318077067 JVYUBDBEXJBDGN-UHFFFAOYSA-N 313.339 -0.340 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCC(=O)[C@H](C)C1 1321035585 VHPQCWXHMUZOHN-VGMNWLOBSA-N 319.383 -0.923 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C 1324233769 NOKUJDREKGWHJC-UHFFFAOYSA-N 316.317 -0.047 50 20 DBGD Cc1ncc2n1CC[C@@H](C(=O)NNC(=O)c1cnn(C)c1)C2 1325903354 KNNRINFBXAYLHO-SNVBAGLBSA-N 302.338 -0.051 50 20 DBGD CN(C)N(C(=O)CNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1326110907 JEQQBZGULSUFRR-JTQLQIEISA-N 303.384 -0.995 50 20 DBGD COc1c(C(=O)NNC(=O)C(=O)NC2CC2)cccc1[N+](=O)[O-] 1326875119 ZHARIWMOTIYILY-UHFFFAOYSA-N 322.277 -0.357 50 20 DBGD COC[C@@H](C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1331970170 JEHIGGRSIQWRRL-DTWKUNHWSA-N 307.372 -0.824 50 20 DBGD CC(=O)NNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1336754750 FEQUQGQRXYDWMB-DGCLKSJQSA-N 323.324 -0.503 50 20 DBGD CN(C)N(C(=O)C#CC1CCNCC1)[C@@H]1CCS(=O)(=O)C1 1578420549 PIOUDZIOXVQJMC-CYBMUJFWSA-N 313.423 -0.518 50 20 DBGD CC(C)[C@H](NC=O)C(=O)NNc1ccc(-c2nn[nH]n2)cn1 1589765457 HCFARARAOHBEMY-JTQLQIEISA-N 304.314 -0.525 50 20 DBGD CCO/C=C(/C#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1591764997 JKRLUKMFVQQHMM-JGAIRUGNSA-N 302.308 -0.859 50 20 DBGD O=C(CCN1CCOCC1)NNc1ccc(-c2nn[nH]n2)cn1 1592842903 FEXAMMGQENLLJB-UHFFFAOYSA-N 318.341 -0.573 50 20 DBGD O=C(O)CN1CCCC[C@@H](NC(=O)NNc2cccnn2)C1=O 1595092795 CFLHRENKUGZFLQ-SECBINFHSA-N 322.325 -0.432 50 20 DBGD Cc1nnc(NNC(=O)C(=O)Nc2ccsc2C(=O)O)n1C 1600798377 HMIMPATZUQVIDZ-UHFFFAOYSA-N 324.322 -0.035 50 20 DBGD O=C(O)CCCCNC(=O)NNC(=O)[C@H]1CCc2nncn2C1 1606164490 AWRUNWXUUACHGK-VIFPVBQESA-N 324.341 -0.574 50 20 DBGD COC(=O)[C@H](CC(=O)O)NS(=O)(=O)CCCCCl 1610150538 GMLFVPORAJMFIM-ZETCQYMHSA-N 301.748 -0.059 50 20 DBGD O=C(O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 1610823294 HBWXJPUSDJBJPQ-ZCFIWIBFSA-N 316.291 -0.827 50 20 DBGD C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787450220 NRSRMSHGVQUIRW-ORMBPQIASA-N 322.764 -0.119 50 20 DBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C)NC(N)=O)c1 28636572 YGXLBBCZGWOGPS-JTQLQIEISA-N 308.338 -0.114 50 20 DBGD CCN(CCO)CC(=O)NNC(=O)Cc1nc(C)cs1 123788235 LAHOJDRPEAIQCS-UHFFFAOYSA-N 300.384 -0.544 50 20 DBGD C[C@@H]1CO[C@@H](CO)CN1CC(=O)NNC(=O)c1cccs1 167825898 YPQPKVMEFGVMEQ-NXEZZACHSA-N 313.379 -0.409 50 20 DBGD CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)CN(C)C 265075558 OYSCUZNHVQCQPT-SECBINFHSA-N 304.416 -0.657 50 20 DBGD O=C(NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CCC1 275771248 VUNZCNFVLADHOZ-VXGBXAGGSA-N 318.333 -0.095 50 20 DBGD COC(=O)N1CCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 490676285 XKIHHKGUJMCDHV-SECBINFHSA-N 317.367 -0.245 50 20 DBGD CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)C(C)(C)O)C1 492696341 NIEJODDNNZPOSF-SECBINFHSA-N 301.343 -0.227 50 20 DBGD CC(C)COC(=O)N1CCC(C(=O)NNC(=O)CO)CC1 495301838 JFPBZLWAKWDIEM-UHFFFAOYSA-N 301.343 -0.369 50 20 DBGD COC(=O)NCCC(=O)NNc1ccc(-n2ccnc2)nn1 495769270 KENCREHLOIAOGN-UHFFFAOYSA-N 305.298 -0.149 50 20 DBGD O=C1[C@@H](Oc2ccc(B(O)O)cc2)CCN1CC(F)(F)F 584909077 CGPYXDGLWXUELM-JTQLQIEISA-N 303.045 -0.092 50 20 DBGD O=C(CCNC(=O)c1ccc(B(O)O)cc1)NC1CCCCC1 584932053 FMNKYKYJEASREE-UHFFFAOYSA-N 318.182 -0.065 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@@H]1[C@@H]1CCCO1 584988566 PZNXEIGSDVYOHY-KGLIPLIRSA-N 323.129 -0.475 50 20 DBGD C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NCc1ccc(B(O)O)o1 585022893 CFTBBPKHEIEYFZ-BPLDGKMQSA-N 322.214 -0.062 50 20 DBGD OB(O)c1ccc(CNC2CCN(C[C@@H]3CCOC3)CC2)cc1 585025299 QRCKXCJKDQJPMK-HNNXBMFYSA-N 318.226 -0.043 50 20 DBGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NCB(O)O 585062858 OHNZZLGQDNMJMR-UHFFFAOYSA-N 319.170 -0.756 50 20 DBGD O=C(NCB(O)O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 585063126 ZHOAMAWQWUUANL-GFCCVEGCSA-N 302.139 -0.344 50 20 DBGD O=C(CCn1nnc2ccccc2c1=O)N1CC[C@@H](B(O)O)C1 585070070 VVZJOBZOXJVJSI-SNVBAGLBSA-N 316.126 -0.743 50 20 DBGD O=C(CN1CCN(S(=O)(=O)CCCCl)CC1)NC1CC1 726866930 RHMOPTNEQDBJNQ-UHFFFAOYSA-N 323.846 -0.159 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnnn1CCN(C)C 735414822 UHWNBIVCHLZGML-MRVPVSSYSA-N 315.403 -0.727 50 20 DBGD Cn1cc(C(=O)NNC(=O)N[C@H]2CCCN(C(=O)O)C2)cn1 739021868 CXOLDNXLOSKHMZ-VIFPVBQESA-N 310.314 -0.494 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC(NC(N)=O)CC1 746484296 OVKVBFLSZWVHOG-JTQLQIEISA-N 313.402 -0.299 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(=O)n(C)n1 772016858 HKWMWWVZCKCKDZ-SECBINFHSA-N 324.337 -0.481 50 20 DBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](C)O 786687615 LVVVWZCRARGDKE-QMMMGPOBSA-N 314.367 -0.570 50 20 DBGD CC#CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 788260966 JDOWAQWIFGWHHE-UHFFFAOYSA-N 309.347 -0.279 50 20 DBGD CCOc1cnc(C(=O)NNC(=O)N2CCN(C)CC2)cn1 807383672 INSUHSFBMQABQL-UHFFFAOYSA-N 308.342 -0.523 50 20 DBGD O=C(CNC(=O)c1ccc2c(c1)OCO2)NNc1nc[nH]n1 816633454 BYHULKAUXWSAGP-UHFFFAOYSA-N 304.266 -0.594 50 20 DBGD CC[C@](COC)(NCC(=O)NNC(=O)C(C)(C)C)C(=O)OC 839112372 FPKVHVBBKXRRQY-CQSZACIVSA-N 317.386 -0.262 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC1(CS(C)(=O)=O)CC1 843652210 IPFWWSXXHNXQFN-UWVGGRQHSA-N 318.395 -0.226 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N2)cc(OC)c1OC 854178761 IXWZCFOWMBYEBO-QMMMGPOBSA-N 323.305 -0.638 50 20 DBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2CCNC2=O)cc1 856791477 OBUUZPCHDPUBKI-NSHDSACASA-N 306.322 -0.609 50 20 DBGD CNC(=S)N(C)NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 861963381 ZAEAIONNBUCDKZ-MRVPVSSYSA-N 310.383 -0.760 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-] 863458150 VVJUADWDLSPNFV-UHFFFAOYSA-N 315.307 -0.671 50 20 DBGD C[C@H](O)CN(C)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 910152166 JGMWGEXLFJGUIQ-MEDUHNTESA-N 321.377 -0.263 50 20 DBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 915261939 JSYJUUIDWXIEOA-JOYOIKCWSA-N 321.333 -0.112 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CCS(C)(=O)=O 919822817 LMNIBMYAROUYOQ-UHFFFAOYSA-N 314.363 -0.180 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnccc1C 1116623807 XQSVYDYXWZYOJS-JTQLQIEISA-N 324.337 -0.473 50 20 DBGD CCOCC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1116920786 KGDRQVLYNOWCBO-SECBINFHSA-N 319.383 -0.679 50 20 DBGD O=C(NCc1cnc2n1CCCC2)NNC(=O)C(=O)NC1CC1 1117405845 OUAVLVHNILAXMR-UHFFFAOYSA-N 320.353 -0.672 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccnc(N(C)C)n1 1118187290 NXODPJFVNNRUDD-MWLCHTKSSA-N 322.369 -0.202 50 20 DBGD COc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccn1 1319269201 DTQIFFDKXITUBC-VIFPVBQESA-N 313.335 -0.714 50 20 DBGD C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NNC(=O)c1cn[nH]c1 1328803254 BGEOBPWPDPHCTM-JQWIXIFHSA-N 322.369 -0.441 50 20 DBGD Cc1cccc2nc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cn12 1330226868 NVHXYAHMBNFZAN-SECBINFHSA-N 301.306 -0.318 50 20 DBGD C[C@H](CO)N(C)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1330262678 ZISYYMOQMHHSEE-GJMOJQLCSA-N 318.317 -0.447 50 20 DBGD NC(=O)COC1CCN(C(=O)NNC(=O)C2CCCC2)CC1 1338985107 JEXZZGMESDIRKP-UHFFFAOYSA-N 312.370 -0.116 50 20 DBGD COC(=O)CCN(CC(=O)O)S(=O)(=O)CBr 1593842293 XIFCKYUJRPZNRN-UHFFFAOYSA-N 318.145 -0.382 50 20 DBGD CN1CCC(n2cc(NC(=O)NNC(=O)C(=O)O)cn2)CC1 1598587829 GSGBUAMNAJDHGW-UHFFFAOYSA-N 310.314 -0.613 50 20 DBGD O=C(O)Cc1csc(NC(=O)c2cc(B(O)O)ccc2F)n1 1602153235 CRNXKZLRFPLBJV-UHFFFAOYSA-N 324.098 -0.159 50 20 DBGD COC(=O)NNC(=O)C(=O)Nc1cccc(OCC(=O)O)c1 1606494690 IEQBFIAAAYQJEX-UHFFFAOYSA-N 311.250 -0.524 50 20 DBGD O=C(NNC(=O)C(=O)O)N[C@H]1CCN(Cc2ccccc2)C1=O 1608478195 WNSFLNDNVJYYCC-JTQLQIEISA-N 320.305 -0.798 50 20 DBGD CC[C@@H](O)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609195623 VUDMCAGWDQSDQS-SNVBAGLBSA-N 304.310 -0.211 50 20 DBGD CCn1c(CNC(=O)NNC(=O)C(=O)O)nc2ccccc21 1610083706 PJORCSCTXYWGSU-UHFFFAOYSA-N 305.294 -0.029 50 20 DBGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1802268455 DSCRAMBDCIOXLD-JXUBOQSCSA-N 320.773 -0.811 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)Cc1ccccc1 8390669 IPUJMXAARGKGMU-UHFFFAOYSA-N 320.349 -0.983 50 20 DBGD CC(=O)NCCNC(=O)NNC(=O)CCOc1ccccc1 60798184 QMLCAORWLRRMTB-UHFFFAOYSA-N 308.338 -0.078 50 20 DBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 276254395 MMUNCGZLTKTFSZ-WDSKDSINSA-N 311.260 -0.638 50 20 DBGD CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NNC(=O)C(C)(C)O 279699891 JHCVAOAQHAJRIJ-LURJTMIESA-N 313.276 -0.392 50 20 DBGD O=C(CO)NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 367888316 AOVHSGGCICXDSI-GFCCVEGCSA-N 305.334 -0.322 50 20 DBGD CCOC(=O)NNC(=O)CNS(=O)(=O)c1c(C)noc1C 490597649 ISBJPILFFLYFEY-UHFFFAOYSA-N 320.327 -0.653 50 20 DBGD CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNC(=O)c1cnn(C)c1 495960777 IOGHYYITQUBZDF-WPRPVWTQSA-N 311.342 -0.048 50 20 DBGD CN(C)[C@@H](CNC(=O)c1cccc(B(O)O)c1)c1ccco1 584924304 HCCXDTDHICONFG-ZDUSSCGKSA-N 302.139 -0.008 50 20 DBGD C[C@@H]1CCCN(CCNC(=O)c2ccc(B(O)O)c(F)c2)C1 584929739 OWNRSYHMQKYSAN-LLVKDONJSA-N 308.162 -0.033 50 20 DBGD OB(O)c1ccc(CNCCn2cnnc2C2CC2)c(F)c1 585034729 SNYQIMJYWWHIPD-UHFFFAOYSA-N 304.134 -0.236 50 20 DBGD O=C1C[C@H](c2nc(-c3cccc(B(O)O)c3)no2)CN1C1CC1 585052962 CFIRHRFSMZVWLY-JTQLQIEISA-N 313.122 -0.105 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3CNC[C@@H]3C2)c1 744389441 STVXYJFZIZYVMA-OKILXGFUSA-N 313.361 -0.530 50 20 DBGD CCNC(=O)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 749924894 XFDUEYJRDLIDRM-SECBINFHSA-N 313.339 -0.933 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CCCO1 755138175 BNLYGOIOWBAWGV-AWEZNQCLSA-N 324.337 -0.091 50 20 DBGD COC(=O)CNC(=O)Cc1ccc(NC(=O)NNC(C)=O)cc1 765137792 BZVXXKRIHAZCOD-UHFFFAOYSA-N 322.321 -0.309 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)CSCC(N)=O 767889211 JVDXNWONXAOCJM-UHFFFAOYSA-N 311.363 -0.396 50 20 DBGD O=C(NNC(=O)c1nc[nH]n1)c1csc(N2CCOCC2)n1 772708351 PDLVCQCCIXGNNW-UHFFFAOYSA-N 323.338 -0.827 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CCC(=O)N1C 807369780 JZMIGJRBBCVGDZ-VIFPVBQESA-N 301.343 -0.456 50 20 DBGD Cc1c(NC(=O)C(=O)NNC(=O)CO)cccc1-c1ncco1 815570873 NXWABUAZRADHCB-UHFFFAOYSA-N 318.289 -0.272 50 20 DBGD COC(=O)[C@@H](C)N(C)CC(=O)NNC(=O)c1ccc(C#N)cc1 839587440 CQOJLCDIVXQPOW-SNVBAGLBSA-N 318.333 -0.187 50 20 DBGD CC(C)(C)n1nnc(CC(=O)NNC(=O)c2ccnnc2)n1 854968722 MHJRPXAGWUFQHQ-UHFFFAOYSA-N 304.314 -0.778 50 20 DBGD O=C1CC[C@@H](C(=O)NNC(=O)N2CCOc3ccccc3C2)N1 858693999 DKEUXOLOBIUJGQ-NSHDSACASA-N 318.333 -0.100 50 20 DBGD COC(=O)[C@]1(C)CCCN1C(=O)c1cc(B(O)O)ccc1F 863879439 SQVBDEITGPIVTE-AWEZNQCLSA-N 309.102 -0.327 50 20 DBGD Cc1ccc(C(=O)NNC(=S)NCC(=O)N(C)C)c(O)c1 918719644 LIMCTUGNQSRSBO-UHFFFAOYSA-N 310.379 -0.102 50 20 DBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCN(C(C)=O)C1 920862794 KUOBBYDXOWVOBF-LLVKDONJSA-N 300.359 -0.388 50 20 DBGD NC(=O)C[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1 1117534187 OQAFHPNLGWLBSM-NSHDSACASA-N 305.338 -0.438 50 20 DBGD COc1cc(C)nc(NNC(=O)CN2CCC(CO)CC2)n1 1120704571 DKHGONWJLFBLQX-UHFFFAOYSA-N 309.370 -0.059 50 20 DBGD CC(C)n1ccc(CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)n1 1261789391 CJQDEJCGGXWJHB-SNVBAGLBSA-N 308.342 -0.427 50 20 DBGD Cc1ccc([C@H](O)CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1261791214 JOJCVKCECUBAIT-RKDXNWHRSA-N 310.310 -0.770 50 20 DBGD CCc1nc(CCNC(=O)NNC(=O)C(=O)OC)cs1 1318882583 OJWQLCUGYBAWBN-UHFFFAOYSA-N 300.340 -0.249 50 20 DBGD N#Cc1ccc(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1321109348 CFZYLKNYURTBQV-GFCCVEGCSA-N 321.358 -0.317 50 20 DBGD CCn1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 1321827245 SGWCQWUYXKNAJV-QMMMGPOBSA-N 300.340 -0.901 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@H](CO)c1cnn(C)c1 1329252464 IIXOHDFIYSPCLD-JMJZKYOTSA-N 311.342 -0.791 50 20 DBGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H](B(O)O)C1 1331828406 XXXQRPRVZKOQCU-SNVBAGLBSA-N 323.158 -0.684 50 20 DBGD CC(C)NC(=O)C(=O)NNC(=O)c1cnn(C)c1C(F)(F)F 1337475953 MLRSUJRONNGGQD-UHFFFAOYSA-N 321.259 -0.276 50 20 DBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)C(=O)O)C(=O)N1c1ccccc1 1594254828 GFVIXTXLMGLSDX-PSASIEDQSA-N 320.305 -0.405 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ncccc1C(=O)O 1603486332 ODFCKIZXLNVZEX-SSDOTTSWSA-N 309.278 -0.118 50 20 DBGD COCCCNC(=S)N(C)NC(=O)c1cc(C(=O)O)n[nH]1 1604578295 CDKARHJBEUCFLP-UHFFFAOYSA-N 315.355 -0.405 50 20 DBGD Cc1nnc(NNC(=O)c2csc(-c3nn[nH]n3)c2)nc1O 1606124571 VQBYFPCIIJEHGT-UHFFFAOYSA-N 319.310 -0.116 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C(=O)O)no2)n1 1607630173 VHDOKSAPQVYPFA-UHFFFAOYSA-N 307.266 -0.353 50 20 DBGD O=C(NCc1nc(-c2ccccc2)n[nH]1)NNC(=O)C(=O)O 1610698675 DDYIOTQWTJDYDM-UHFFFAOYSA-N 304.266 -0.613 50 20 DBGD COC(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 53372581 KHJCPUXZVDQYGL-UHFFFAOYSA-N 320.349 -0.168 50 20 DBGD Cc1nn(CCC(=O)NNC(=O)CN(C)C)c(C)c1[N+](=O)[O-] 113424204 CNEOXZRVIJLNAE-UHFFFAOYSA-N 312.330 -0.493 50 20 DBGD CCCNC(=O)CCCC(=O)NNC(=O)C(=O)N1CCCC1 264263046 ULCFLPHLPVMCIY-UHFFFAOYSA-N 312.370 -0.547 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c1O 287369121 YZJADSOLEREGJB-NXEZZACHSA-N 323.305 -0.805 50 20 DBGD CC(C)NC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 299306420 QLRNXDAIVUDPJF-GAIPPQHRSA-N 320.349 -0.468 50 20 DBGD COCCCNC(=O)NNC(=O)/C=C/c1cnc(OC)nc1 493159143 PPNOPYUCDJDKNC-SNAWJCMRSA-N 309.326 -0.135 50 20 DBGD CC(=O)NCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 495433198 DCFGHZUNWAYIRK-UHFFFAOYSA-N 302.331 -0.815 50 20 DBGD CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(B(O)O)c2)C1 584965270 OXWNKYGWZXJXQD-DZGCQCFKSA-N 302.183 -0.077 50 20 DBGD CS[C@H]1CN(C(=O)c2ccc(B(O)O)cc2)C[C@@H]1N(C)C 584967327 JEDGCNLMWOLWGB-STQMWFEESA-N 308.212 -0.516 50 20 DBGD O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)C1 584974256 FXEZMRYUMMYZJP-CYBMUJFWSA-N 317.154 -0.958 50 20 DBGD C[C@H](O)CN1CCN(C(=O)c2cc(B(O)O)ccc2F)[C@H](C)C1 584978469 ZLEIPMSPMUGQMB-MNOVXSKESA-N 324.161 -0.967 50 20 DBGD CCCNC(=O)CN1CCC(NCc2ccc(B(O)O)o2)CC1 585018288 UCRGNMQSDGHXQW-UHFFFAOYSA-N 323.202 -0.960 50 20 DBGD CCOc1ccccc1C(=O)NCCCC(=O)NCB(O)O 585061294 VJPDQRMPHOYYCE-UHFFFAOYSA-N 308.143 -0.277 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=S)N[C@@H](C)C1CC1 728449872 OOISSLCFMRSHAT-BQBZGAKWSA-N 308.429 -0.782 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)N(C)CC(=O)NCCCOC 731850270 RSSMNUQZHUOSML-JTQLQIEISA-N 302.375 -0.983 50 20 DBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H]2COCCO2)C[C@@H](C)O1 732259533 GQRPMXYOKFZHDL-GRYCIOLGSA-N 315.370 -0.952 50 20 DBGD O=C(CO)NNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 753445379 HWRMTHPTTKEZKR-UHFFFAOYSA-N 319.273 -0.134 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1c(F)cc(F)cc1F 764299942 QEHBKVJYWHTWQQ-UHFFFAOYSA-N 305.212 -0.164 50 20 DBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc(-n2cnnn2)c1 802032141 NNUVUBDMMPILKT-UHFFFAOYSA-N 324.304 -0.054 50 20 DBGD O=C(NN=C1COCCOC1)c1ccc(-n2cnnn2)cc1 814755828 GPJWGWOIWFLKLK-UHFFFAOYSA-N 302.294 -0.205 50 20 DBGD CN(NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CC1 819645376 IBOZFCHVQKJIRU-UHFFFAOYSA-N 303.322 -0.629 50 20 DBGD CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 839602619 VWINQDOONIVKTO-UHFFFAOYSA-N 322.321 -0.188 50 20 DBGD Cc1cccc2c1N(C(=O)C(=O)NNC(=O)CCCN)CC2 841294200 LVPJNZCVNWFYRD-UHFFFAOYSA-N 304.350 -0.230 50 20 DBGD CCNC(=O)NC1(C(=O)NNC(=O)c2ncccn2)CCCC1 841445079 IOKLIJZIHGPZRV-UHFFFAOYSA-N 320.353 -0.131 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843641362 BUZOTJKSMZXLHC-BBBLOLIVSA-N 321.399 -0.867 50 20 DBGD CC1=C(C(=O)NNC(=O)NC(C)C)[C@H](C)n2nnnc2N1C 847401763 PRIKEBKNPGEKPE-QMMMGPOBSA-N 308.346 -0.303 50 20 DBGD CS(=O)(=O)N1CCC(CC(=O)NNC(=O)C2CCC2)CC1 847482685 PLQOOSISUWNDEM-UHFFFAOYSA-N 317.411 -0.004 50 20 DBGD CCOc1ncccc1NC(=O)NNC(=O)[C@@H]1CCC(=O)N1 860450781 ZZZAFORMBMOLRD-QMMMGPOBSA-N 307.310 -0.088 50 20 DBGD O=C1CC(C(=O)NNC(=O)[C@H]2CCC(=O)N2)(c2ccccc2)C1 862461329 JQZOKLSJJOEEEQ-GFCCVEGCSA-N 315.329 -0.287 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCCC[C@H]1C1OCCO1 863872464 SJNUCGKNGGGBHD-ZDUSSCGKSA-N 323.129 -0.127 50 20 DBGD CN(C)CCn1cc(C(=O)NNC(=O)c2ccncc2)cn1 864383989 FQVFMVSALUCYPK-UHFFFAOYSA-N 302.338 -0.086 50 20 DBGD Cc1ccn(C[C@@H](C)C(=O)NNC(=O)CN2CCCC2=O)n1 913730269 OOBMINLPPLFFRQ-SNVBAGLBSA-N 307.354 -0.403 50 20 DBGD Cc1ccccc1C(=O)NNC(=O)Cn1cnc([N+](=O)[O-])n1 918549720 JVIRGZZETQJALI-UHFFFAOYSA-N 304.266 -0.044 50 20 DBGD CNC(=S)N(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 1118770900 UENMELRJKHNPTC-UHFFFAOYSA-N 312.399 -0.762 50 20 DBGD Cc1ccc2ncc(C(=O)N3CC[C@@H](B(O)O)C3)c(=O)n2c1 1118974491 HLKUPEKPLZGPBS-SNVBAGLBSA-N 301.111 -0.308 50 20 DBGD CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1ncccn1 1261826152 FITAWPQZDKGTRK-ZETCQYMHSA-N 312.355 -0.972 50 20 DBGD CNC(=O)c1cccc(C(=O)NNC(=O)Cc2cccnc2)n1 1319344418 SGOCJOAHTPJFMK-UHFFFAOYSA-N 313.317 -0.160 50 20 DBGD Cc1csc(=O)n1CCC(=O)NNC(=O)[C@H]1CCC(=O)N1 1329171571 DRQWXURQRWNHNQ-MRVPVSSYSA-N 312.351 -0.966 50 20 DBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc2c(c1)CCNC2=O 1333321737 PYBNELPMUFOWDA-UHFFFAOYSA-N 316.317 -0.532 50 20 DBGD COc1ccc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)cc1 1337811387 AVNWNTKOWKRGCQ-UHFFFAOYSA-N 320.305 -0.650 50 20 DBGD O=C(NNC(=O)[C@H](F)C(F)(F)F)N[C@H]1CCS(=O)(=O)C1 1343895088 JLUXDNXXZRZMRZ-WHFBIAKZSA-N 321.252 -0.596 50 20 DBGD O=C(NCC(F)(F)F)NNC(=O)[C@H]1CCCS(=O)(=O)C1 1346205359 KGMIMQFOBVTNBC-LURJTMIESA-N 317.289 -0.296 50 20 DBGD C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cccnn1 1349788845 UWQUEIGSSAAQGD-SKDRFNHKSA-N 304.354 -0.097 50 20 DBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1C[C@@H](F)CN1 1574302154 APRHYWFMEPOVHN-MWLCHTKSSA-N 305.313 -0.276 50 20 DBGD N[C@H](CC(=O)NNc1ccccc1S(N)(=O)=O)C(F)F 1580121320 RKDXTJPULNIQIR-ZCFIWIBFSA-N 308.310 -0.240 50 20 DBGD C[C@H](CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)O 1589057065 XBBYROYXNYRYAP-KCJUWKMLSA-N 323.305 -0.123 50 20 DBGD O=C(CS(=O)(=O)C1CC1)NNc1cccc(-c2nn[nH]n2)c1 1592899258 AKOFTNBTCBRTLU-UHFFFAOYSA-N 322.350 -0.113 50 20 DBGD COc1ccc(NC(=O)C(=O)NNC(=O)C2CC2)c(C(=O)O)c1 1599590043 ZXVJEFCFSDYSKO-UHFFFAOYSA-N 321.289 -0.111 50 20 DBGD O=C(/C=C\c1ccc(C(=O)O)o1)NNC(=O)[C@@H]1COCCO1 1608286240 NIBRODWHKNDALD-GQPNGRKGSA-N 310.262 -0.446 50 20 DBGD O=C1CCC(C(=O)OCC(=O)NNC(=O)c2cccs2)=NN1 6473004 NRWBXMRLDBVOBK-UHFFFAOYSA-N 324.318 -0.682 50 20 DBGD O=C(NCCN1C(=O)CNC1=O)NNc1cncc(Cl)n1 265117098 YJHXGHZYLUXALQ-UHFFFAOYSA-N 313.705 -0.692 50 20 DBGD COCCCNC(=O)NNS(=O)(=O)c1cnn(C(C)C)c1 266054407 GZDXYYUWLQKLLU-UHFFFAOYSA-N 319.387 -0.007 50 20 DBGD CNC(=O)CN(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 272898148 ZYMFTHOCVJARBJ-UHFFFAOYSA-N 323.309 -0.966 50 20 DBGD CN(C)CC(=O)NNC(=O)Nc1ccc(OCCC(N)=O)cc1 274816234 WTYIKFKAWAKTIJ-UHFFFAOYSA-N 323.353 -0.345 50 20 DBGD CCOC(=O)c1cnc(NNC(=O)C2CN(C(C)=O)C2)nc1C 276548402 PTYUTCAMVXDKOQ-UHFFFAOYSA-N 321.337 -0.117 50 20 DBGD Cc1ccc(C(=O)NCCC(=O)NNC(=O)C(C)(C)O)c(O)c1 277869093 CPDHYCOCEIMOJS-UHFFFAOYSA-N 323.349 -0.261 50 20 DBGD Cc1cccc(C(=O)NNC(=O)CCC(=O)N2CCOCC2)n1 279745819 BRPUXCJPIAJMAY-UHFFFAOYSA-N 320.349 -0.210 50 20 DBGD C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cnnn1C 282240560 HVUFMOAUVGGQKO-SSDOTTSWSA-N 312.330 -0.511 50 20 DBGD COC(=O)N(C)NC(=O)[C@@H](C)[C@H](C)C(=O)NN(C)C(=O)OC 286462402 TXYHIMGUJWPBQB-YUMQZZPRSA-N 318.330 -0.283 50 20 DBGD O=C(CNC(=O)C1CCCCC1)NNC(=O)C(=O)N1CCCC1 299566356 OQDVXRCNEHLDKU-UHFFFAOYSA-N 324.381 -0.547 50 20 DBGD NS(=O)(=O)CCCCNS(=O)(=O)CCCCCl 384077836 WVLCVJYKABNOKF-UHFFFAOYSA-N 306.837 -0.007 50 20 DBGD CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)CN(C)C)C1 491426048 BFJGTYRYSOWLJS-JTQLQIEISA-N 300.359 -0.436 50 20 DBGD O=C1CC[C@@H](NC(=O)c2ccc(B(O)O)c(F)c2)[C@H](C2CC2)N1 584986790 AZATUHJRTJBZQT-OCCSQVGLSA-N 320.129 -0.708 50 20 DBGD Cn1nc(NC(=O)c2ccc(B(O)O)c(F)c2)cc1C1CC1 584991179 BKFGEOVQQHNBMA-UHFFFAOYSA-N 303.102 0.369 50 20 DBGD CC[C@@H](NCc1ccc(B(O)O)cc1F)C(=O)N1CCOCC1 585025966 HDLWTHYOXNNDLI-CQSZACIVSA-N 324.161 -0.768 50 20 DBGD CC[C@H]1CN(CCNCc2ccc(B(O)O)cc2F)CCO1 585038677 KFSXMNJQCJKGAX-AWEZNQCLSA-N 310.178 -0.294 50 20 DBGD CCOc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cn1 585058637 LNYXHLALXLNILQ-SECBINFHSA-N 300.145 -0.282 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@@H](C)NC(C)=O)c1 728205924 LXVCKDXSKBUIQI-SECBINFHSA-N 308.338 -0.221 50 20 DBGD O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)N1CCOCC1 729348163 NBRJYEWDPMCTPG-UHFFFAOYSA-N 310.354 -0.492 50 20 DBGD Cc1noc2ncc(C(=O)NNC(=O)[C@H]3CCC(=O)N3)cc12 742114730 UFGFNWOINHMXDA-SECBINFHSA-N 303.278 -0.429 50 20 DBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)C1CC1 742471556 DWHKMURNBMUTPJ-CNVPUSNMSA-N 321.333 -0.904 50 20 DBGD Cn1nnnc1SCCC(=O)NNC(=O)NC1CCCC1 744053199 GTAVXBOMKRJUGW-UHFFFAOYSA-N 313.387 -0.035 50 20 DBGD C[C@H]1C[C@H](O)CN1CC(=O)NNC(=O)c1cccc(C#N)c1 761111012 CEIBDHWMHMTLGB-GWCFXTLKSA-N 302.334 -0.226 50 20 DBGD Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](O)C[C@@H]2C)n1 761113063 MODDGRVAOVVWCS-UWVGGRQHSA-N 312.395 -0.403 50 20 DBGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1ccon1 763679072 ATOQMVKDELCQDJ-UHFFFAOYSA-N 322.252 -0.021 50 20 DBGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)CC1CC1 764142540 QOKIFLCTUPOIGO-UHFFFAOYSA-N 322.321 -0.004 50 20 DBGD COC(=O)c1cncc(C(=O)NNC(=O)c2cc(C)[nH]n2)c1 774331551 AZVCRDJLAMVEPB-UHFFFAOYSA-N 303.278 -0.025 50 20 DBGD CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)C(=O)N1CCCC1 775459909 PMQAGZUQCGZSGF-GHMZBOCLSA-N 312.370 -0.246 50 20 DBGD CN(C)c1nccc(NNC(=O)c2cccc(C(N)=O)n2)n1 782116633 BZFYPYOQLHHHJN-UHFFFAOYSA-N 301.310 -0.207 50 20 DBGD COC(=O)c1cn(CCNC(=O)NNc2ccccn2)nn1 790913818 MPOGNNSGRYIUGJ-UHFFFAOYSA-N 305.298 -0.214 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=C1CCC12CCOCC2 799879083 OZMYNSRJTDZEDI-VIFPVBQESA-N 303.384 -0.013 50 20 DBGD O=C(Cc1ccccn1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 823115159 LVDZQQNOSUMSTG-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD CC(C)c1cc(C(=O)NNC(=O)CN2CCCC2=O)nn1C 827831972 RDNGRZMCJHEIEO-UHFFFAOYSA-N 307.354 -0.073 50 20 DBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C 843979610 PHOOWTWXDHGCBV-MWLCHTKSSA-N 309.322 -0.565 50 20 DBGD COC(=O)[C@@H]1CN(CC(=O)NNC(=O)C(C)C)C[C@H](C)O1 844421865 XLYLBNSRRGOIEW-UWVGGRQHSA-N 301.343 -0.948 50 20 DBGD O=C(NN=C1CCCn2ccnc21)N[C@H]1CCS(=O)(=O)C1 848402601 DTLGFZKJCFXHFB-VIFPVBQESA-N 311.367 -0.133 50 20 DBGD CN(CCN1CCNCC1)S(=O)(=O)CBr 850581630 HEXKWALFZXVCID-UHFFFAOYSA-N 300.222 -0.494 50 20 DBGD CC(C)(C)CC(=O)NNC(=O)NCCOCCS(N)(=O)=O 854136567 WSEYPFVLARONBQ-UHFFFAOYSA-N 324.403 -0.942 50 20 DBGD CC(=O)Nc1cncc(C(=O)NNC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1 857158077 MBUBTMUJKFBFPV-WDEREUQCSA-N 319.321 -0.688 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)N[C@@H](CO)Cc2ccccc2)N1 858698427 ZRXJAWWNWYPVTN-VXGBXAGGSA-N 320.349 -0.801 50 20 DBGD Cc1nn(C)c2sc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc12 862450182 OOYBSAFEPOOMRJ-QMMMGPOBSA-N 321.362 -0.017 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)[C@H](O)CCc2ccccc2)N1 862457671 NWWQYYNNSJWDNN-VXGBXAGGSA-N 305.334 -0.594 50 20 DBGD Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)c1cn[nH]c1 862474946 UHLLJJKQXITVTQ-UHFFFAOYSA-N 307.270 -0.326 50 20 DBGD Cc1ncc(S(=O)(=O)NNC(=O)[C@H]2CCCCO2)n1C 863410807 LJYYGQAUCJVQLJ-SECBINFHSA-N 302.356 -0.393 50 20 DBGD Cc1ccn2cc(C(=O)NNC(=O)CS(C)(=O)=O)nc2c1 863460031 WUUHUBPOWURMLE-UHFFFAOYSA-N 310.335 -0.552 50 20 DBGD Cc1cc(C(=O)NNC(=O)CS(C)(=O)=O)c2n[nH]cc2c1 863460703 IXUHIYJYFLTYCN-UHFFFAOYSA-N 310.335 -0.323 50 20 DBGD CC(C)C(=O)NNC(=O)CSCC(=O)N1CCOCC1 915776079 WPSMCECKLDVILZ-UHFFFAOYSA-N 303.384 -0.618 50 20 DBGD Cn1cc(C(=O)NNC(=O)CS(C)(=O)=O)c2ccccc21 919692304 ADMZDGDPYZEIAB-UHFFFAOYSA-N 309.347 -0.016 50 20 DBGD C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)[C@H]1CCC(=O)N1 1118861089 XLIQFKQDMSTBHO-WCBMZHEXSA-N 319.365 -0.036 50 20 DBGD Cc1ccc([C@@H](O)CNC(=O)NNC(=O)[C@H]2CCC(=O)N2)o1 1261791211 JOJCVKCECUBAIT-BDAKNGLRSA-N 310.310 -0.770 50 20 DBGD CN(C)N(C(=O)c1cnn2cccnc12)[C@H]1CCS(=O)(=O)C1 1317786918 HEBSBZPUORJMJX-JTQLQIEISA-N 323.378 -0.165 50 20 DBGD O=C1NC(=O)C2(CCC(C(=O)NNC(=O)C3CCC3)CC2)N1 1318489089 QMJWOIGZUNGWHX-UHFFFAOYSA-N 308.338 -0.298 50 20 DBGD C=CCNC(=S)NNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1322555898 RUMRAHZCEMIBBR-QXMHVHEDSA-N 323.378 -0.416 50 20 DBGD O=C(CC(F)(F)F)NNC(=O)N[C@@H]1CCCS(=O)(=O)C1 1323844063 DRCSMLYDURXRAF-ZCFIWIBFSA-N 317.289 -0.154 50 20 DBGD NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1329236423 NDUGICAVJVUGPV-LLVKDONJSA-N 303.322 -0.474 50 20 DBGD O=C(CCO)NNC(=O)C(=O)Nc1cccc(-c2cnco2)c1 1342607977 RAGNCZSCQCGDGT-UHFFFAOYSA-N 318.289 -0.190 50 20 DBGD C[C@@H](NC(=O)NNC(=O)C(=O)O)c1ccc([S@@](C)=O)cc1 1593102740 WIPUYHMPELGHSZ-WODJRTHDSA-N 313.335 -0.100 50 20 DBGD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C(=O)O)C1 1598120180 WQJYQXYPWYNTCU-JGVFFNPUSA-N 300.315 -0.952 50 20 DBGD O=C(CCc1ocnc1C(=O)O)NNC(=O)CN1CCCC1=O 1608321966 KWQQDIJZHNWBNU-UHFFFAOYSA-N 324.293 -0.925 50 20 DBGD CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796361917 YCNRWMRWAHKJBY-RCZSTQMZSA-N 322.764 -0.119 50 20 DBGD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)[C@@H](F)Cl)C1 1843363364 YIBLYJDGNSEPJH-MRVPVSSYSA-N 305.741 -0.793 50 20 DBGD COc1ccccc1C(=O)NNC(=O)CN1CSCC1=O 67430810 CGWWHCIKWRIRJQ-UHFFFAOYSA-N 309.347 -0.011 50 20 DBGD CNC(=O)CN1CCN(S(=O)(=O)CCCCCl)CC1 228325258 DHDBZJUYJLYHLC-UHFFFAOYSA-N 311.835 -0.301 50 20 DBGD C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)NC1CC1 281631736 VCRRWSFLDSROTQ-ONGXEEELSA-N 310.354 -0.423 50 20 DBGD COC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 298303682 LYQOPIMPCUPWQW-UHFFFAOYSA-N 315.351 -0.031 50 20 DBGD CN(C)CCN1CCCN(C(=O)c2cccc(B(O)O)c2)CC1 584941480 DAWOFTWZCMEWDM-UHFFFAOYSA-N 319.214 -0.924 50 20 DBGD CN(CC(F)(F)F)C(=O)CNCc1ccc(B(O)O)cc1F 585024826 DQEUBUDBQPLCEG-UHFFFAOYSA-N 322.067 -0.384 50 20 DBGD O=C(NNc1ncccn1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 727766650 AGWHOLHABAKHHJ-SNVBAGLBSA-N 320.334 -0.350 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 728436759 IUZXXYXXZAJGMO-QMMMGPOBSA-N 314.323 -0.017 50 20 DBGD Cc1ccnc2nc(C(=O)NNC(=O)Cc3cccnc3)nn12 728852223 UKEIJVXEYLPJAC-UHFFFAOYSA-N 311.305 -0.169 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(C)C(=O)C1CC1 740850197 YVTMEGGTURXEPZ-UHFFFAOYSA-N 312.370 -0.693 50 20 DBGD CCOCC(=O)NNC(=O)NC[C@@H](C)CN1CCN(C)CC1 745863179 SBBPUZQHNSABRZ-GFCCVEGCSA-N 315.418 -0.763 50 20 DBGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2ccccc2)c1 747987377 FMKVTMFWBDWOHF-UHFFFAOYSA-N 309.351 -0.158 50 20 DBGD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)CO 756869092 OONVZNFBZMTAFP-UHFFFAOYSA-N 324.337 -0.068 50 20 DBGD COc1csc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 758029380 KLMBGOKJSVHYJQ-LURJTMIESA-N 321.380 -0.545 50 20 DBGD CNS(=O)(=O)NCC(=O)NNc1ccccc1[N+](=O)[O-] 773927630 CPQUXHBHJKUHNM-UHFFFAOYSA-N 303.300 -0.908 50 20 DBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNc2cccnn2)O1 774777347 WNNAMROPHAQSQY-NXEZZACHSA-N 308.342 -0.262 50 20 DBGD CCCN1CC[C@@H](NC(=O)NNC(=O)[C@@H](C)OCCOC)C1 823050011 WRCBVYVTOVFPEF-VXGBXAGGSA-N 316.402 -0.147 50 20 DBGD Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)n1 823546929 TVLKRHQIQZINNY-SNVBAGLBSA-N 319.321 -0.519 50 20 DBGD O=C(CSc1ccccc1O)NNC(=O)C[C@H]1CC(=O)N1 831458740 AEABUJRRSGHRLW-MRVPVSSYSA-N 309.347 -0.090 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cccc(C(=O)O)c1 833396573 LYBCHPSLCRQVKO-UHFFFAOYSA-N 308.294 -0.920 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](CN)CC(C)C 841951168 FUYCBGQHYCFHBR-MNOVXSKESA-N 304.391 -0.258 50 20 DBGD Cc1cc(NNC(=O)Cn2nc3n(c2=O)CCCC3)ncn1 846634959 KHIPOULVTFZTLB-UHFFFAOYSA-N 303.326 -0.377 50 20 DBGD Cc1ncc(S(N)(=O)=O)cc1C(=O)NNC(=O)CC1CC1 848143575 DCDYNQZLPHYHDT-UHFFFAOYSA-N 312.351 -0.401 50 20 DBGD C[C@@H]1O[C@H](C)[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C 858174487 RKZJCVGRQNJUJW-RCZSTQMZSA-N 318.395 -0.372 50 20 DBGD CC(=NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(S(N)(=O)=O)c1 863144629 BSVQSDHFWMIKIW-NSHDSACASA-N 324.362 -0.547 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)CSc1ccccc1 863458144 VSVYVIGTURVATR-UHFFFAOYSA-N 302.377 -0.029 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCc2ccccc2O1 863465893 LUANFBPQEIGAHR-NSHDSACASA-N 312.347 -0.428 50 20 DBGD COCCO[C@H]1COCC[C@H]1NC(=O)NN(C)C(=O)OC 875511139 PLBUXZFRXBCJFP-ZJUUUORDSA-N 305.331 -0.281 50 20 DBGD CCCNC(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920988638 QLJCWDFTGRQZJD-UHFFFAOYSA-N 307.314 -0.584 50 20 DBGD CN(C)[C@H]1[C@@H]2CN(CC(=O)NNC(=O)c3ccccc3)C[C@@H]21 931280060 BSROQBLPVIGHJB-NHAGDIPZSA-N 302.378 -0.061 50 20 DBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H]1CCn2cncc2C1 1116354700 AIJGJHQPSPNMEQ-JTQLQIEISA-N 321.381 -0.102 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)ncn2C 1116620799 LLCMLGFGHODPCJ-UHFFFAOYSA-N 305.294 -0.694 50 20 DBGD CSCCONC(=O)NNc1nc(O)c2cnn(C)c2n1 1256338441 FAMMBWDYCFJBIZ-UHFFFAOYSA-N 313.343 -0.010 50 20 DBGD COc1ccccc1C(=O)NNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1263729199 OLWLMLSBMBZNFS-YPMHNXCESA-N 318.377 -0.156 50 20 DBGD CC(C)[C@@H]1C[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)CCO1 1319883222 HKZKPNNOOQQAQJ-MNOVXSKESA-N 312.370 -0.201 50 20 DBGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)OC)c1 1321183254 BALSSFMZDAIULZ-UHFFFAOYSA-N 308.294 -0.320 50 20 DBGD COCc1ncsc1C(=O)NNC(=O)C(=O)N1CCCC1 1321396921 NWHRXSZZJQOYEG-UHFFFAOYSA-N 312.351 -0.327 50 20 DBGD CN1C(=O)COc2cc(NC(=O)NNC(=O)CCO)ccc21 1327014052 RMBIPSAYTKKOGG-UHFFFAOYSA-N 308.294 -0.423 50 20 DBGD C[S@](=O)C1(CNC(=O)NNC(=O)Cc2ccncc2)CC1 1327031293 LDTJXRQCEYZIAY-NRFANRHFSA-N 310.379 -0.134 50 20 DBGD O=C(NNC(=O)C1CCS(=O)(=O)CC1)c1cccc(F)n1 1328444838 QGSPMHHJKGMPPO-UHFFFAOYSA-N 315.326 -0.194 50 20 DBGD NC(=S)c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1 1328577478 TUMDVFQHZHCYKV-UHFFFAOYSA-N 306.347 -0.640 50 20 DBGD CCC(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](B(O)O)C1 1329673452 YDRLACFYJTYDBR-ZJUUUORDSA-N 302.205 -0.290 50 20 DBGD O=C(CCn1cnccc1=O)NNC(=O)Cc1cccnc1 1330883365 GAYUBFRIERCUNS-UHFFFAOYSA-N 301.306 -0.582 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1nc2ncccn2n1 1333281636 XIBRMIKXQRSCNU-SSDOTTSWSA-N 306.282 -0.773 50 20 DBGD NS(=O)(=O)c1ccc(CC(=O)NNc2cccnn2)s1 1342281122 YDBCLPWDMBJGNU-UHFFFAOYSA-N 313.364 -0.129 50 20 DBGD C#CCCCC(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2 1342591228 LWGVYPYBRFLUQA-UHFFFAOYSA-N 319.365 -0.278 50 20 DBGD CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCN1 1578226227 ZTUQWTYHCMJVNX-BDAKNGLRSA-N 300.359 -0.201 50 20 DBGD Cc1nc(C(C)(C)C)nc(O)c1C(=O)NNC(=O)[C@H]1CCN1 1579853429 QAOJDBJPCXXMTM-MRVPVSSYSA-N 307.354 -0.089 50 20 DBGD CC(=NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1cn(CC(=O)O)nn1 1588486229 VCUJPZNFLUQPRY-WCABBAIRSA-N 307.310 -0.230 50 20 DBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C)(C)C(=O)O 1588709056 QEIADECZWMPEGI-UHFFFAOYSA-N 303.315 -0.231 50 20 DBGD CC(=O)NNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F 1588870073 WQTKTQVWGZOUMR-UHFFFAOYSA-N 307.245 -0.888 50 20 DBGD C[C@H](O)CN(C)NC(=O)COc1ccccc1-c1nn[nH]n1 1590001287 WHQPLPPQWLKLOP-VIFPVBQESA-N 306.326 -0.411 50 20 DBGD CN1CCN(C(=O)NNC(=O)/C=C/c2cc(C(=O)O)co2)CC1 1598606409 CTQMTWLCVHOVBB-NSCUHMNNSA-N 322.321 -0.021 50 20 DBGD N#Cc1ccc([C@H](NNC(=O)[C@@H]2CCC(=O)N2)C(=O)O)cc1 1601096538 HIJAMCQGWUUSQR-JQWIXIFHSA-N 302.290 -0.417 50 20 DBGD CC(C)NC(=O)C(=O)NN=Cc1csc(-c2nn[nH]n2)c1 1603335477 RILSPLLQDWOCML-UHFFFAOYSA-N 307.339 -0.097 50 20 DBGD O=C(NNC(=O)c1cnccc1-c1nn[nH]n1)c1ncccn1 1606853924 BKKAIPCHMCLSAU-UHFFFAOYSA-N 311.265 -0.874 50 20 DBGD O=C(NNc1ccccc1C(=O)O)C1=NN2CCCN=C2N1 1608483922 FCBKIHZTVMMXSL-UHFFFAOYSA-N 302.294 -0.194 50 20 DBGD NC(=O)CN(CC(=O)NNC(=O)C1CC1)Cc1ccccc1 112982067 SRHDRVSUHZUPDY-UHFFFAOYSA-N 304.350 -0.469 50 20 DBGD CC(=O)N[C@H](C(=O)NNC(=O)c1cnn(C)c1)C1CCCC1 117681344 XLYKZGWJVYEVLE-LBPRGKRZSA-N 307.354 -0.124 50 20 DBGD COC(=O)CN1CCN(S(=O)(=O)CBr)CC1 127211507 OHWOGRUYVNAHMQ-UHFFFAOYSA-N 315.189 -0.541 50 20 DBGD COCCN1C[C@@H](C(=O)NNc2nc(C)cc(OC)n2)CC1=O 266885943 DBOQBHAZMBXBIH-JTQLQIEISA-N 323.353 -0.268 50 20 DBGD CCNC(=O)N(C)NC(=O)C(F)(F)C(=O)N1CCOCC1 297387982 GZCXGKLLSAZXLC-UHFFFAOYSA-N 308.285 -0.827 50 20 DBGD CCO/C=C(\C#N)C(=O)N1CCN(S(=O)(=O)CC)CC1 490782232 IRNTWABHDSTCLS-ZHACJKMWSA-N 301.368 -0.076 50 20 DBGD CC[C@@H](O)CN1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CC1 584940998 CZWIBHVKIWTCGR-GFCCVEGCSA-N 324.161 -0.966 50 20 DBGD O=C(c1cc(B(O)O)ccc1F)N1CCOC[C@@]12CCOC2 584985476 LLAIAOBVCZXQRN-AWEZNQCLSA-N 309.102 -0.863 50 20 DBGD COCCCn1cc(C)c(NC(=O)c2ccc(B(O)O)cc2)n1 584994517 AKDHLHGGPPTJEE-UHFFFAOYSA-N 317.154 0.160 50 20 DBGD O=C(c1ccco1)N1CCC(NCc2ccc(B(O)O)o2)CC1 585018509 WZEKMTKOWMIOEG-UHFFFAOYSA-N 318.138 -0.053 50 20 DBGD CC(C)C[C@H](NCc1ccc(B(O)O)o1)C(=O)N1CCOCC1 585047818 HANPUSBEOKQNMS-ZDUSSCGKSA-N 324.186 -0.678 50 20 DBGD Cc1ccc(-c2nnc(S)n2CC(=O)NCB(O)O)cc1 585058198 VMQVLKCDWWUYHM-UHFFFAOYSA-N 306.156 -0.330 50 20 DBGD COc1ccc(N2C[C@@H](C(=O)NCB(O)O)CC2=O)c(OC)c1 585059134 ZVZDWTFKDDJMRU-VIFPVBQESA-N 322.126 -0.815 50 20 DBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](B(O)O)C1 585066897 SQIKQQGBMWCJTR-BDAKNGLRSA-N 306.193 -0.974 50 20 DBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccn1 733252006 AHXGYSUITVYSKS-JTQLQIEISA-N 314.367 -0.584 50 20 DBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 739671661 YAMPOLGGUFREMF-NXEZZACHSA-N 320.415 -0.646 50 20 DBGD NC(=O)c1nccnc1C(=O)NNC(=O)NC1CCCCC1 746094934 VPRLIZZJWOYGRD-UHFFFAOYSA-N 306.326 -0.148 50 20 DBGD CN1CCC(=NNC(=O)c2nn(C)c(=O)c3ccccc23)C1=O 761759671 LCAXYNSHYNKFGB-UHFFFAOYSA-N 313.317 -0.119 50 20 DBGD C[C@H]1C(=O)N(C)CCN1C(=O)NNC(=O)Cc1cccnc1 777508666 PGFRFHKWQMMQBS-JTQLQIEISA-N 305.338 -0.473 50 20 DBGD COc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 780225336 JRPUTMGOTPVTHA-MRVPVSSYSA-N 300.340 -0.522 50 20 DBGD COC(=O)c1ccc(NNC(=O)CN2CCN(C)C(=O)C2)nc1 780964962 FKDUGQGOCFRORP-UHFFFAOYSA-N 321.337 -0.915 50 20 DBGD O=C1NC(=O)C(=NNC(=O)c2ccc3ccccc3n2)C(=O)N1 814212170 HHQWGIVOXLBHRY-UHFFFAOYSA-N 311.257 -0.313 50 20 DBGD CC(C)(CN1CCOCC1)C(=O)NNC(=O)c1ccnnc1 823758718 NCJIKMYHUCMEEI-UHFFFAOYSA-N 307.354 -0.404 50 20 DBGD CCN(CCS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C 827283361 PYULEJWHYBREPG-ZJUUUORDSA-N 321.399 -0.481 50 20 DBGD Cc1ncsc1C(=O)NNC(=O)Cn1cc(C(=O)O)nn1 833010841 XHPDTKQMIXRYDK-UHFFFAOYSA-N 310.295 -0.798 50 20 DBGD O=C(Cn1cc(C(=O)O)nn1)NNC(=O)NCc1ccco1 833120741 BYIWGWBMYVQYJB-UHFFFAOYSA-N 308.254 -0.900 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(C#N)nc1 842593363 USLWKLMJMTVPAK-KWQFWETISA-N 310.335 -0.312 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CS(=O)(=O)C1CCCC1 843643826 JETJEFVKUQHQQB-GXSJLCMTSA-N 318.395 -0.084 50 20 DBGD COc1ccccc1NCC(=O)NNC(=O)[C@H](C)NC(C)=O 849366539 ITBCUUPWGCIXSQ-VIFPVBQESA-N 308.338 -0.221 50 20 DBGD Cc1nn(CC(=O)NNC(=S)N[C@H](C)C2CC2)c(=O)n1C 855095105 JUMYNFAORWCIRY-SSDOTTSWSA-N 312.399 -0.816 50 20 DBGD O=C1CC[C@@H](C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)N1 863414455 WUGZMIKQZODNGT-VIFPVBQESA-N 319.289 -0.447 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H](NC=O)C(C)C)c1O 863861304 PPVLVNHFOSFMAU-NSHDSACASA-N 309.322 -0.068 50 20 DBGD COCCN(CC(F)F)C(=O)c1cc(B(O)O)ccc1F 863871753 AEVFGHSJNLSBHE-UHFFFAOYSA-N 305.061 -0.141 50 20 DBGD CCc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1C 1115975891 WAKQFDLAGCAVDB-MRVPVSSYSA-N 314.367 -0.822 50 20 DBGD CCCNC(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1CCCCO1 1122097532 QIEQPSJPEJNFGX-UWVGGRQHSA-N 300.359 -0.199 50 20 DBGD CC(C)c1cc(CNC(=O)NNC(=O)C(=O)NC2CC2)on1 1251866530 OTNYASWMHUDFSU-UHFFFAOYSA-N 309.326 -0.093 50 20 DBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ncc(F)cn2)o1 1253743571 FHHYHQOJEWMEIJ-UHFFFAOYSA-N 315.286 -0.126 50 20 DBGD C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)C(=O)NC1CC1 1318963770 LVKUTWZAQUPEOA-MRVPVSSYSA-N 300.359 -0.608 50 20 DBGD Nc1cnnc(NNC(=O)CN2CSCC2=O)c1Cl 1319405897 FKXJYHVTAAHRKT-UHFFFAOYSA-N 302.747 -0.312 50 20 DBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2nccnc2c1 1320239267 HKONFBWECHKLIK-UHFFFAOYSA-N 316.321 -0.723 50 20 DBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CC2CC2)c1 1320356770 GMMXTUNDZFGVGP-UHFFFAOYSA-N 318.333 -0.068 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1(CO)COC1 1322525594 BZKPOCJAYQCGPE-SECBINFHSA-N 302.327 -0.880 50 20 DBGD CN(C)N(C(=O)c1cnn2ccncc12)[C@H]1CCS(=O)(=O)C1 1323395098 KLKXVJJODYDWCC-JTQLQIEISA-N 323.378 -0.165 50 20 DBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cnn(C)c1 1324640822 CKBVOPNSMQFYRV-UWVGGRQHSA-N 308.342 -0.721 50 20 DBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccco1)[C@@H]1CCC(=O)N1 1351373049 ZQNJHWATEBJXTR-BDAKNGLRSA-N 322.321 -0.929 50 20 DBGD O=C1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cn2)CCN1 1582756694 DJDBCODYTYLXHU-ZETCQYMHSA-N 302.298 -0.769 50 20 DBGD COCCOCC(=O)NNC(=O)[C@@]1(C(=O)O)CC=CCC1 1594018266 POBXIPKBHWRPRJ-CYBMUJFWSA-N 300.311 -0.392 50 20 DBGD Cc1cc(CC(=O)NNC(=O)Cc2ccc(C(=O)O)nc2)n[nH]1 1600186957 BYEOARYVABXUPN-UHFFFAOYSA-N 317.305 -0.256 50 20 DBGD COC(=O)N(C)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 1604949759 JXRBALSHPVMJIX-UHFFFAOYSA-N 312.311 -0.242 50 20 DBGD O=C(CCO)NNC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1 1606524519 VXVKYAFEBZNSFE-UHFFFAOYSA-N 309.261 -0.459 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(-n2cnnn2)c1 32258051 CTOBNTJBCMWENB-NSHDSACASA-N 302.294 -0.398 50 20 DBGD Cn1c(=O)ccn(CC(=O)NNC(=O)c2ccccc2)c1=O 32647094 XUKLLDXWKIOKNI-UHFFFAOYSA-N 302.290 -0.992 50 20 DBGD O=C(NNC(=O)C(=O)NC1CC1)N[C@@H]1COc2ccccc2C1 47094689 LIEXEAPUUARSOM-NSHDSACASA-N 318.333 -0.401 50 20 DBGD CN(CC(=O)NNC(=O)NCc1ccco1)S(C)(=O)=O 49162616 XZQLKCUXLMCEOQ-UHFFFAOYSA-N 304.328 -0.999 50 20 DBGD CCN1CCN(CC(=O)NNc2cccc(F)c2)C(=O)C1=O 154529121 VPUKNBPIXSFVTQ-UHFFFAOYSA-N 308.313 -0.041 50 20 DBGD COCC(=O)N(C)CC(=O)NNc1cc(Cl)nc(N)n1 273578404 YTLCNUWUFOVMDV-UHFFFAOYSA-N 302.722 -0.740 50 20 DBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1O 278675468 RGALDJZMRRLKSH-SECBINFHSA-N 312.347 -0.104 50 20 DBGD COc1cc(C)nc(NNC(=O)NC[C@H]2CC(C(N)=O)=NO2)n1 297582844 COUPKSSOQHOREY-SSDOTTSWSA-N 323.313 -0.950 50 20 DBGD NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(B(O)O)c1 584937662 WYRLSGYRLMSVPN-SWHYSGLUSA-N 316.166 -0.375 50 20 DBGD CCc1nn(C)cc1CNC(=O)c1ccc(B(O)O)c(F)c1 584969723 IGHKWVDEKZPVHR-UHFFFAOYSA-N 305.118 -0.269 50 20 DBGD C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc(B(O)O)c(F)c1 584996748 OOEYCZPQPMHAOF-SECBINFHSA-N 305.118 -0.400 50 20 DBGD Nc1ccc([C@@H]2CCCN2C(=O)c2ccc(B(O)O)cc2)nn1 585007311 WMQWJKYHARASQY-ZDUSSCGKSA-N 312.138 -0.284 50 20 DBGD COc1c(CNCc2ccc(B(O)O)cc2F)c(C)nn1C 585036116 DXOHOAXMNGVNML-UHFFFAOYSA-N 307.134 -0.154 50 20 DBGD O=C1CCCCN1Cc1nc(-c2ccc(B(O)O)cc2)no1 585050719 IOIVQSOZBGEHQK-UHFFFAOYSA-N 301.111 -0.071 50 20 DBGD COc1ccc([C@@H]2[C@H](C(=O)NCB(O)O)CC(=O)N2C)cc1 585059449 OCQSWPNDYSEOAD-DGCLKSJQSA-N 306.127 -0.657 50 20 DBGD C[C@@H](CN1CCCCCC1)C(=O)NNC(=S)NCC(N)=O 727070076 QIDATOSDQDCICL-JTQLQIEISA-N 315.443 -0.521 50 20 DBGD Cc1ccsc1S(=O)(=O)NNC(=O)C(=O)NC(C)C 741647888 SBUBKRNLBJNDJI-UHFFFAOYSA-N 305.381 -0.109 50 20 DBGD Cc1cc(C(=O)NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 763118595 GXKUWXSGPFBQFO-UHFFFAOYSA-N 307.270 -0.257 50 20 DBGD CC(C)(O)C(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 768260112 RPROEKWIELZHGV-UHFFFAOYSA-N 308.338 -0.550 50 20 DBGD COC(=O)Cn1cccc1C=NNC(=O)CN1CCCC1=O 776186166 UYVMSIZVGCJIQN-UHFFFAOYSA-N 306.322 -0.266 50 20 DBGD O=C(NNC(=O)c1ccncn1)c1ccc(-n2cnnn2)cc1 778300272 NJDVAURGTQRLJR-UHFFFAOYSA-N 310.277 -0.473 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2cncn2c1 785723725 INRHXQSJRFGVBD-JTQLQIEISA-N 322.346 -0.470 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCN1C1CC1)C(=O)Nc1ccccn1 787435724 UQCABSBWYGGQMN-NSHDSACASA-N 317.349 -0.206 50 20 DBGD O=C1COc2ccc(C=NNC(=O)C(=O)NC3CC3)cc2N1 788708351 HOSNECUSIWKFHN-UHFFFAOYSA-N 302.290 -0.254 50 20 DBGD Cn1[nH]cc2c(=NC(=O)NNC(=O)Cc3cc[nH]n3)ccnc1-2 806491763 RPYSPHADKFWKDA-UHFFFAOYSA-N 314.309 -0.540 50 20 DBGD COCCN(C)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 816561921 QHHPSUHPKAPOOL-LLVKDONJSA-N 307.416 -0.344 50 20 DBGD CN1C(=O)CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1=O 822951949 YXDCHTMFJWOBEB-SNVBAGLBSA-N 319.321 -0.898 50 20 DBGD C[C@@H]1C(=O)N(C)CCN1CC(=O)NNC(=O)c1ccc(F)cc1 839565468 GZHZAMNRZLZZMR-SNVBAGLBSA-N 322.340 -0.251 50 20 DBGD CCOC(C)(OCC)C(=O)NNC(=O)C1(O)CCOCC1 854388354 HKVDSRJZIGKHGM-UHFFFAOYSA-N 304.343 -0.536 50 20 DBGD O=C(NNC(=O)[C@@H]1CCc2nnnn2CC1)OCC(F)(F)F 856026424 YBYNNXLVDXBZEF-ZCFIWIBFSA-N 322.247 -0.055 50 20 DBGD CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)cn1 860444670 KTDGJKZKYBKRSG-VIFPVBQESA-N 306.326 -0.421 50 20 DBGD Cc1cccc(NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)n1 862521297 YFEJPAPADPNCCG-LLVKDONJSA-N 312.395 -0.048 50 20 DBGD COC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCC(=O)N1 863378536 FHAMDKRLIBMQJU-RYUDHWBXSA-N 323.324 -0.191 50 20 DBGD CCc1ccc(O)c(C(=O)NNC(=O)CS(C)(=O)=O)c1 863464535 PFVSWWAICWMGPX-UHFFFAOYSA-N 300.336 -0.240 50 20 DBGD CC(C)C(=O)NNC(=O)CN(C)Cc1nnc2ccccn12 879059787 JOSPFXNTAKEBQL-UHFFFAOYSA-N 304.354 -0.036 50 20 DBGD O=C1CC[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)CN1 915695472 SXCPQNFAWVJRNE-VIFPVBQESA-N 309.297 -0.122 50 20 DBGD CN(C)CCCNC(=S)NNC(=O)C(=O)Nc1ccccn1 1116261395 WKQDETUSCBQNGL-UHFFFAOYSA-N 324.410 -0.533 50 20 DBGD CCS(=O)(=O)CC(=O)NNc1ccccc1S(C)(=O)=O 1319383103 KHCSESJSUDDPGS-UHFFFAOYSA-N 320.392 -0.032 50 20 DBGD O=C(CCl)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1320466538 JUZZBKWILGUCGY-UHFFFAOYSA-N 301.730 -0.955 50 20 DBGD COC(=O)C(=O)NNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 1326806514 GPIBAURTFJDQCT-BIIVOSGPSA-N 315.326 -0.375 50 20 DBGD O=C1COc2ccc(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)cc2N1 1330225008 DRYPOMAMYXJDQN-QMMMGPOBSA-N 318.289 -0.943 50 20 DBGD Cn1nncc1NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 1334723158 MNEQDSWVUDGFKT-SNVBAGLBSA-N 315.337 -0.298 50 20 DBGD CS(=O)(=O)CC(=O)NN=Cc1ccc(S(C)(=O)=O)s1 1348411702 OACHBKAXOJSADE-UHFFFAOYSA-N 324.405 -0.354 50 20 DBGD C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)[C@H]2CCN2)NC1=O 1576902501 ABCAUULQKRKKDC-OIBJUYFYSA-N 304.306 -0.471 50 20 DBGD CO[C@H](C(=O)O)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 1593909516 ZRGBMHZOXRVMPE-XVKPBYJWSA-N 314.269 -0.160 50 20 DBGD O=C(O)CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccnnc2)CO1 1595005251 MNWDYRHMEHPLKC-VHSXEESVSA-N 308.294 -0.493 50 20 DBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)O)cc1OC(C)C 1607798094 AYJKNOFRLQHNOF-UHFFFAOYSA-N 323.305 -0.047 50 20 DBGD O=C1CC(C(=O)N2CC3(CCCN3C(=O)[C@H](F)Cl)C2)=NN1 1843364461 LNIRKPHRSQUFCI-VIFPVBQESA-N 316.720 -0.400 50 20 DBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1F 264089159 FQQMFVRBHWMHRR-QMMMGPOBSA-N 317.342 -0.167 50 20 DBGD C[C@@H](O)C[C@H]1COCCN1CC(=O)NNC(=O)c1ccccc1 274355133 XWECTJKOHQTDNH-OCCSQVGLSA-N 321.377 -0.081 50 20 DBGD C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)C(=O)NC1CC1 298650030 BYFRDCAGLVGENE-QMMMGPOBSA-N 310.354 -0.893 50 20 DBGD NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CBr)C1 374708976 DYKGIBSPZQALEH-LURJTMIESA-N 321.218 -0.579 50 20 DBGD C[C@@]1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCO[C@H]1C1CC1 375109710 HGQIQXDMOANEPM-NHYWBVRUSA-N 324.381 -0.199 50 20 DBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1n[nH]c(O)n1 495313671 XROPYNSYSGREGZ-UHFFFAOYSA-N 314.302 -0.814 50 20 DBGD CN1CC[C@H]2OCCN(C(=O)c3ccc(B(O)O)c(F)c3)[C@@H]2C1 584995930 ZSGZNDLZCLCWMV-ZIAGYGMSSA-N 322.145 -0.949 50 20 DBGD CC(C)[C@H](CNCc1ccccc1B(O)O)N1CCOCC1 585015257 URRMYWPQLKRURC-INIZCTEOSA-N 306.215 -0.187 50 20 DBGD Cn1c(C=NNC(=O)C2CCC2)nc2c1c(O)nc(=O)n2C 731932192 BCXYXQQWEQKBQX-UHFFFAOYSA-N 304.310 -0.377 50 20 DBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 737954938 SRHDJYHEHPJVFG-UHFFFAOYSA-N 312.293 -0.407 50 20 DBGD COc1cc(C)nc(NNC(=O)CCSc2nnnn2C)n1 746622663 CCHPKBISBPWRRU-UHFFFAOYSA-N 324.370 -0.057 50 20 DBGD Nc1nc(Cl)cc(NNC(=O)Cn2ccc(O)nc2=O)n1 753458030 USAIERMHNDFAAW-UHFFFAOYSA-N 311.689 -0.882 50 20 DBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2cccnc2)n1 756644018 CZCIWEPDBACZCF-UHFFFAOYSA-N 318.293 -0.082 50 20 DBGD COCCO[C@@H](C)C(=O)NNC(=O)Nc1nn(C)cc1C#N 756869919 FSJXRYWBPLGDEQ-QMMMGPOBSA-N 310.314 -0.504 50 20 DBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2ccc(F)cc2)nn1 763011381 FBCHZXQMWGCJHK-MRVPVSSYSA-N 307.285 -0.068 50 20 DBGD COCC(=O)NNC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 764303567 NZZBKOXTTDBNGE-UHFFFAOYSA-N 317.305 -0.191 50 20 DBGD CN(CC(=O)NNc1cc(Cl)nc(N)n1)S(C)(=O)=O 779374609 PYXROOMMKZNLDE-UHFFFAOYSA-N 308.751 -0.953 50 20 DBGD C[C@H](C(=O)N(C)CC(=O)NN=c1cc[nH]cc1)n1cccn1 781018849 AYGGANSFHVPPBW-LLVKDONJSA-N 302.338 -0.137 50 20 DBGD COC(=O)C1(CNC(=O)NNC(=O)C(C)C)CCOCC1 781831867 JIBGHRZZGSZAKT-UHFFFAOYSA-N 301.343 -0.057 50 20 DBGD O=C1C[C@H](C(=O)NNC(=O)N2CCOCC2)[C@H]2CCCC[C@H]2N1 824621913 YOILHHKFLGICRI-GRYCIOLGSA-N 324.381 -0.246 50 20 DBGD C[C@@H]1OCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCc2nnnn2CC1 827187588 GNFVFNWLINOFJC-IVZWLZJFSA-N 323.357 -0.867 50 20 DBGD C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C 843975223 QPYKOFIZELDJBX-ATZCPNFKSA-N 309.322 -0.030 50 20 DBGD O=C(NNC(=O)C1(n2cnnn2)CCCCC1)c1cc[nH]n1 855355287 VJOCEVRAGTYXNM-UHFFFAOYSA-N 304.314 -0.483 50 20 DBGD CNCCOCCNC(=O)NNC(=O)COc1ccc(C)cc1 861676338 CXQDSXWOCPSRKO-UHFFFAOYSA-N 324.381 -0.060 50 20 DBGD CN(CC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)OC(C)(C)C 862455614 PENQAENKSKZYCH-MRVPVSSYSA-N 314.342 -0.721 50 20 DBGD COc1cccc([C@@H](O)C(=O)NNC(=O)[C@@H]2CCC(=O)N2)c1 862458113 XORROXUGZLXGHK-CMPLNLGQSA-N 307.306 -0.845 50 20 DBGD N#CCc1ccccc1CC(=O)NNC(=O)[C@H]1CCC(=O)N1 862460737 ISVZJYMOZVWICV-GFCCVEGCSA-N 300.318 -0.279 50 20 DBGD CN1C(=O)[C@@H]2CN(C(=O)NNC(=O)C3CCCC3)C[C@@H]2C1=O 868539348 UNXLHELCBRIHHY-AOOOYVTPSA-N 308.338 -0.536 50 20 DBGD O=C(CN1CCOCC1=O)NNC(=S)Nc1ccccn1 874956275 RRJKENSFDLLKQL-UHFFFAOYSA-N 309.351 -0.742 50 20 DBGD CCNC(=O)NNC(=O)c1c[nH]nc1I 900386143 LDTAWUJGZAGOGK-UHFFFAOYSA-N 323.094 -0.022 50 20 DBGD C[C@H](CC(=O)NNC(=O)CN1CCCC1=O)c1cnn(C)c1 913733295 DCHSZPXEOBKLEO-SNVBAGLBSA-N 307.354 -0.317 50 20 DBGD CN(CC(=O)NNC(=O)C1CCCC1)[C@H]1CCS(=O)(=O)C1 914869681 SKVBTOQQMCEWHP-NSHDSACASA-N 317.411 -0.557 50 20 DBGD Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=O)C(N)=O 1115878966 STTHGLMWOPNXGS-UHFFFAOYSA-N 312.289 -0.580 50 20 DBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1coc(C2CC2)n1 1116685381 CFNNXKXEXCXDRL-QMMMGPOBSA-N 313.335 -0.252 50 20 DBGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)NC)c1 1252951258 LRNMQQHYFGBHOB-UHFFFAOYSA-N 321.380 -0.398 50 20 DBGD CCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1cnn(C)c1 1254785279 RBQBDDLPDKQLRZ-MNOVXSKESA-N 311.342 -0.442 50 20 DBGD C[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)CN1CCN(C)CC1 1318969781 JWEGKLXNTOJBGV-GFCCVEGCSA-N 322.413 -0.158 50 20 DBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CCC[C@@H]1CCO 1321527732 ORNBNTZEPCKVPM-GHMZBOCLSA-N 312.370 -0.510 50 20 DBGD Nc1ncc2c(n1)CCCC2=NNC(=O)[C@H]1CCS(=O)(=O)C1 1326234578 OUEKSDQCRDKMGL-QMMMGPOBSA-N 323.378 -0.350 50 20 DBGD CCNC(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 1328899560 LUNJATYBKPXNTG-UHFFFAOYSA-N 300.340 -0.561 50 20 DBGD CSCCNC(=S)NNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 1328932683 PLRQGIHPAPTDAI-YUMQZZPRSA-N 304.441 -0.241 50 20 DBGD Cn1nncc1NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 1331393798 RYGSPSBYIANAAZ-DTORHVGOSA-N 304.310 -0.791 50 20 DBGD CN[C@@H](CC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1578589541 CFAZSFMTCWESKA-ZJUUUORDSA-N 319.427 -0.407 50 20 DBGD CN(C)N(C(=O)[C@@H]1CC[C@H]1C(=O)O)[C@@H]1CCS(=O)(=O)C1 1604074974 QKRMJLUKCIVMNB-OPRDCNLKSA-N 304.368 -0.411 50 20 DBGD Cc1cc(NC(=O)NNC(=O)[C@@H]2CCC(=O)N2)ncc1C(=O)O 1607690689 MFENBJDZGCIAKR-QMMMGPOBSA-N 321.293 -0.480 50 20 DBGD CC1CCC2(CC1)OC[C@H](CNC(=O)NNC(=O)C(=O)O)O2 1609848545 FPQRASJNIRPAGO-JVVWGOMOSA-N 315.326 -0.277 50 20 DBGD CC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793105912 GKNRNJZEAURNOP-ROHXPCBUSA-N 318.801 -0.005 50 20 DBGD C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796371240 TWZXYCBMKCUINE-GENCIFFESA-N 308.737 -0.509 50 20 DBGD Cn1cnn(CC(=O)NNC(=O)c2c[nH]c3ccccc23)c1=O 179705776 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O=C(c1cc(B(O)O)ccc1F)N1CCSC[C@@H]1CCO 584965771 SHBKCGJMPREVDX-JTQLQIEISA-N 313.159 -0.555 50 20 DBGD NC(=O)N1CCC[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 584989349 BXGSNYNUCONQHS-VIFPVBQESA-N 323.133 -0.974 50 20 DBGD OB(O)c1ccc(-c2noc(COC[C@@H]3CCOC3)n2)cc1 585050479 AJHWOMOPZALJQF-SNVBAGLBSA-N 304.111 -0.031 50 20 DBGD COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](B(O)O)C1 585058527 HSXYRJQFCIRTGV-SNVBAGLBSA-N 310.140 -0.196 50 20 DBGD C[C@H](CN1CCCCCC1)C(=O)NNC(=S)NCC(N)=O 727070077 QIDATOSDQDCICL-SNVBAGLBSA-N 315.443 -0.521 50 20 DBGD CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117563 XQRBIKSYOWANEB-UHFFFAOYSA-N 313.383 -0.519 50 20 DBGD COc1cc(F)cc(NNC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 748908066 LCQVJPBYKJGUHV-UHFFFAOYSA-N 324.268 -0.302 50 20 DBGD Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)C(=O)N1CCCC1 751782910 YHPQIYIXKLVRIP-QMMMGPOBSA-N 307.354 -0.100 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1C(C)(C)C1(C)C 758040088 NSTMTBHTLDWONO-ZETCQYMHSA-N 305.400 -0.246 50 20 DBGD CCNC(=O)CN(C)CC(=O)NNC(=O)Cc1ccccc1C 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CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)O)cc1C 1610035851 QJJIKVLNVBQNOI-UHFFFAOYSA-N 323.305 -0.184 50 20 DBGD C[C@H]1CN(C)C[C@@H](C(=O)NN=Cc2cc(C(=O)O)nn2C)O1 1776092556 RTSJPKDLXWNEPV-KWQFWETISA-N 309.326 -0.713 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 264157241 RHXKOESJTNGOMF-QMMMGPOBSA-N 315.351 -0.606 50 20 DBGD COc1ccc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nc1 276007246 SRQJRWWIWODTGL-ZJUUUORDSA-N 309.326 -0.251 50 20 DBGD CC(=O)N1CC(C(=O)NNC(=O)COCc2ccccc2)C1 276498564 XELMBGMIZRNZPN-UHFFFAOYSA-N 305.334 -0.171 50 20 DBGD CNC(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 281420148 ZZYZCPAZXUOHMH-UHFFFAOYSA-N 321.337 -0.682 50 20 DBGD COC(=O)N(C)CC(=O)NNC(=O)CNc1ccc(OC)cc1 299224158 NOPIFGAGNWVZBN-UHFFFAOYSA-N 324.337 -0.047 50 20 DBGD CCN1CCN(CCC(=O)NNC(=O)c2ccccn2)CC1 299620236 HPAUUQSTLUVRLL-UHFFFAOYSA-N 305.382 -0.130 50 20 DBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)OC 495368202 YUIWNSKDCWWKQB-SECBINFHSA-N 307.372 -0.032 50 20 DBGD Cn1ccnc1N1CCN(C(=O)c2cccc(B(O)O)c2)CC1 584960595 SIYOLEFKCHCHCH-UHFFFAOYSA-N 314.154 -0.938 50 20 DBGD CC(=O)NCc1ccc(CNCc2ccc(B(O)O)o2)cc1 585045612 KIFSFEHYPGIVMS-UHFFFAOYSA-N 302.139 -0.115 50 20 DBGD COC[C@@H]1CN([C@H](C)C(=O)NNC(=O)CC(C)C)CCO1 741794319 JAKVPVHHNDVOII-NEPJUHHUSA-N 301.387 -0.084 50 20 DBGD C[C@@H](Cn1ccnc1)NC(=O)NNC(=O)C(=O)N1CCCC1 748451168 PLJGWKHVOBVHLE-JTQLQIEISA-N 308.342 -0.776 50 20 DBGD CN(C)C(=O)COc1ccc(NC(=O)NNC(=O)CO)cc1 755646968 USJBVGQWDOJCOQ-UHFFFAOYSA-N 310.310 -0.701 50 20 DBGD NC(=O)c1ccc(NNC(=O)c2cc3c(cc2O)OCO3)nn1 757399832 PBRZTKRFBORWFE-UHFFFAOYSA-N 317.261 -0.233 50 20 DBGD COc1ncc(C(=O)NNC(=S)NCCSC)cn1 769770550 WFYGCZYTUYDKFH-UHFFFAOYSA-N 301.397 -0.043 50 20 DBGD Cc1cccc(CCNC(=O)NNC(=O)C(=O)N2CCCC2)n1 792240407 SIZBNMXSNRHPJZ-UHFFFAOYSA-N 319.365 -0.115 50 20 DBGD Cc1cccc(C(=O)NNC(=O)Cn2ccc(O)nc2=O)n1 794080841 RWTLNMIWCBWKJR-UHFFFAOYSA-N 303.278 -0.886 50 20 DBGD C=C[C@H](O)C(=O)OCC(=O)NNC(=O)Cc1ccccc1C 814546432 CBXBXLPWDZEICD-LBPRGKRZSA-N 306.318 -0.225 50 20 DBGD CC[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N(C)C 820842270 LJCXHUVUZRQJSM-LLVKDONJSA-N 317.353 -0.032 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)NCCN1CCCOCC1 826863534 ZUGQJPLQDNHCIX-RYUDHWBXSA-N 314.386 -0.536 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc2c(c1)nnn2C 827464222 YFNQNIMDLBMJOO-UHFFFAOYSA-N 312.355 -0.177 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNS(=O)(=O)c1cn(C)c(Cl)n1 842591590 DOVICZKNHKZKBV-RNFRBKRXSA-N 322.774 -0.192 50 20 DBGD C[C@H]1OCC[C@H]1C(=O)NNC(=O)CCSc1nnnn1C 843648343 XGBPJJULJVDWLC-HTQZYQBOSA-N 314.371 -0.735 50 20 DBGD C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ncccn1)CS2 843910773 ZHTBJWKYCQTENR-ISVAXAHUSA-N 321.362 -0.308 50 20 DBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)[C@H]1CCO[C@@H]1C 843979581 OWRURNNRZXGEBE-PWSUYJOCSA-N 323.349 -0.175 50 20 DBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)CC(F)(F)F 855000558 KGDWYTHBJZBTTE-YLWLKBPMSA-N 311.260 -0.638 50 20 DBGD COc1ccsc1S(=O)(=O)NNC(=O)[C@@H]1CCC(=O)N1 863414022 VXXLGLKWKZFYOQ-LURJTMIESA-N 319.364 -0.655 50 20 DBGD COC[C@@](C)(CO)NCC(=O)NNC(=O)c1cccs1 879164034 SGDCXTCOKNOLBG-GFCCVEGCSA-N 301.368 -0.504 50 20 DBGD CCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)NC2CC2)C1 900385317 XNYWGYOTQUHAFQ-SNVBAGLBSA-N 312.370 -0.246 50 20 DBGD C[C@@H](CO)N(C)NC(=O)c1c[nH]nc1I 911445612 ZMMAQAYLNRDDEX-YFKPBYRVSA-N 324.122 -0.028 50 20 DBGD Cc1ccn(C[C@H](C)C(=O)NNC(=O)CN2CCCC2=O)n1 913730268 OOBMINLPPLFFRQ-JTQLQIEISA-N 307.354 -0.403 50 20 DBGD CS(=O)(=O)CC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 919743389 BZIOZDKMOIITIH-UHFFFAOYSA-N 322.346 -0.118 50 20 DBGD COC(=O)C(=O)NNC(=O)NC[C@@H](c1ccnn1C)C(C)C 1116749313 GXCIZRUNAVHJKV-SECBINFHSA-N 311.342 -0.337 50 20 DBGD O=C(C[C@H]1CC(=O)N1)NNc1ncc(Br)cn1 1118713246 AOMCQGBPIUKRIX-ZCFIWIBFSA-N 300.116 -0.039 50 20 DBGD N#CSCCCNC(=O)Cn1cc(S(N)(=O)=O)cn1 1118759679 SXVUTZQPKXFMQH-UHFFFAOYSA-N 303.369 -0.749 50 20 DBGD C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCCCCNC(N)=O 1261501506 DDKFSBJBQIIIMF-UWVGGRQHSA-N 300.359 -0.213 50 20 DBGD CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2ncccn2)C1=O 1326016097 LVEHZAUKDLSADN-VIFPVBQESA-N 320.353 -0.180 50 20 DBGD CN1CCN(CCNC(=O)NNC(=O)c2cn[nH]c2)CC1(C)C 1329746579 YBJNQJSFMGCRSI-UHFFFAOYSA-N 323.401 -0.620 50 20 DBGD C[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CN3)C[C@@H]1Br 1331205196 PDTHODGWBBMFPF-PEFMBERDSA-N 316.199 -0.151 50 20 DBGD C=CCOc1cccc(NC(=O)C(=O)NNC(=O)CCO)c1 1337980722 KKKASATXHXYQGH-UHFFFAOYSA-N 307.306 -0.280 50 20 DBGD NC(=O)CN1CCN(C(=O)C2CCC(Cl)CC2)CC1=O 1348726767 JPHFEACGODSTCE-UHFFFAOYSA-N 301.774 -0.060 50 20 DBGD COCCOCC(=O)NNC(=O)c1c(C)nn(C)c1Cl 1348741142 HTIFCAAUNDIRPU-UHFFFAOYSA-N 304.734 -0.194 50 20 DBGD O=C(O)COc1cccc(C(=O)NNC(=O)Cc2cc[nH]n2)c1 1595122476 IWJBGQHFVNOKRT-UHFFFAOYSA-N 318.289 -0.123 50 20 DBGD COc1cccc(NCC(=O)NNC(=O)[C@H](OC)C(=O)O)c1 1604870864 GOLZYLARBMXMAT-NSHDSACASA-N 311.294 -0.646 50 20 DBGD O=C(O)CCCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 1606164494 CODYNTMISFCLEP-UHFFFAOYSA-N 323.309 -0.395 50 20 DBGD O=C(N[C@@H](C(=O)O)c1cccs1)c1ccc(B(O)O)cc1 1608388290 RPUFLORVSJFHAV-LLVKDONJSA-N 305.120 -0.016 50 20 DBGD CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1786393000 YXHCDNGVLFMHIO-YFKTTZPYSA-N 318.801 -0.024 50 20 DBGD CCC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234386 WQSRQJSXBHONES-VIFPVBQESA-N 304.774 -0.092 50 20 DBGD CC(C)(CCC(=O)NNC(=O)C1CC1)C(=O)NNC(=O)C1CC1 267197530 NCQFYZBHIBIKDA-UHFFFAOYSA-N 324.381 -0.092 50 20 DBGD C[C@H](NC(=O)CC(C)(C)C)C(=O)NNc1ccc(C(N)=O)nn1 275206130 NXXHDFJHNAMJPR-QMMMGPOBSA-N 322.369 -0.041 50 20 DBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)n1 282191179 BKJQOZPVIWTZQX-LLVKDONJSA-N 324.385 -0.270 50 20 DBGD CO[C@H]1COC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1 290737931 NPULPNYAOMEICT-STQMWFEESA-N 323.349 -0.053 50 20 DBGD O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNc1nnc[nH]1 294055013 XJMGEGZZBSNTCU-UHFFFAOYSA-N 307.314 -0.498 50 20 DBGD O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(-n2cnnn2)c1 295673265 XFQFTDAVBCVIKF-LBPRGKRZSA-N 316.321 -0.008 50 20 DBGD O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(B(O)O)c1 584936192 HBZMQNFIDRRCOO-LLVKDONJSA-N 316.088 -0.267 50 20 DBGD COC[C@@H](C)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1 584947632 WSHUQUULEMOQNH-LLVKDONJSA-N 324.161 -0.702 50 20 DBGD C[C@@H](CNC(=O)c1cc(B(O)O)ccc1F)CN1CCOCC1 584948604 IMILIUHMOBQLQK-NSHDSACASA-N 324.161 -0.796 50 20 DBGD CN1CC[C@@H]2CCN(C(=O)c3ccc(B(O)O)c(F)c3)C[C@@H]21 584971294 OIHDRQDLWYAVIG-YGRLFVJLSA-N 306.146 -0.328 50 20 DBGD C[C@]1(CNC(=O)c2ccc(B(O)O)c(F)c2)CCC(=O)NC1 585003851 SAYQDEXDDRMKPY-AWEZNQCLSA-N 308.118 -0.848 50 20 DBGD C[C@H](NCc1ccccc1B(O)O)C(=O)NCc1ccco1 585032526 IBIVXIOPSGGXJC-NSHDSACASA-N 302.139 -0.246 50 20 DBGD OC[C@H]1CCCCN1c1cc(N2CC[C@H](B(O)O)C2)ncn1 585078927 PQXBNKUAHXFMEN-NWDGAFQWSA-N 306.175 -0.119 50 20 DBGD Cn1c(CC(=O)NNC(=S)NCC(N)=O)nc2ccccc21 727066742 TZPMBPKGTAYCSB-UHFFFAOYSA-N 320.378 -0.904 50 20 DBGD C[C@@H](CNC(=O)NNC(=O)C(=O)N1CCCC1)N(C)C1CC1 729616957 HQHNEQVTJOQYAA-JTQLQIEISA-N 311.386 -0.578 50 20 DBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)NCc2ccco2)S1 742586238 SOGUVOHUTQLBOB-SSDOTTSWSA-N 311.323 -0.334 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(C(N)=O)cc1 748611740 BWADOFWKGOGARN-SECBINFHSA-N 324.337 -0.010 50 20 DBGD COCCCNC(=O)NNC(=O)C1(S(C)(=O)=O)CCCC1 749852384 ZEOBBXVGQYGAMQ-UHFFFAOYSA-N 321.399 -0.289 50 20 DBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CCNC(=O)C2)c1O 754461685 GPMJSQQJNFFMPW-MRVPVSSYSA-N 307.306 -0.312 50 20 DBGD Cc1cc(N2CCOCC2)ccc1NC(=O)NNC(=O)CO 755743324 VVJRBWZVHNMCRC-UHFFFAOYSA-N 308.338 -0.023 50 20 DBGD CC(=O)NCC(=O)NCC(=O)NNc1cc(C#N)cc(Cl)n1 768703067 PIEBJYBBBHIABQ-UHFFFAOYSA-N 324.728 -0.698 50 20 DBGD CCNC(=O)N(C)NC(=O)c1cnc2nc(O)nc(O)c2c1 780708739 HITPYDDKQYDRAQ-UHFFFAOYSA-N 306.282 -0.258 50 20 DBGD O=C(NNC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)N1CCCC1 788743545 WUBBIORSSLMTLS-NSHDSACASA-N 318.333 -0.225 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](CC(=O)O)C1 826754685 QIOOEDXRCLIOHG-MNOVXSKESA-N 315.370 -0.256 50 20 DBGD CON1CCC(NC(=O)NNC(=O)[C@H]2CCO[C@@H]2C)CC1 826984785 QSLFFBJXECNXLP-KOLCDFICSA-N 300.359 -0.232 50 20 DBGD CCNC(=O)CCC(=O)NNC(=O)C(C)(OCC)OCC 854385736 CZDVQJNJQWLNNB-UHFFFAOYSA-N 303.359 -0.161 50 20 DBGD C[C@@]1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@@H]1Br 857733405 KJWSTTZFTMNNNX-GPTQDWHKSA-N 320.183 -0.311 50 20 DBGD COC(=O)c1ccccc1NNC(=O)CN1CC(=O)N(C)C1=O 860605521 JMOPFJWKKMNXLI-UHFFFAOYSA-N 320.305 -0.190 50 20 DBGD N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2COCCN2)c1 861682329 RCSLJYXCVCXJHM-GFCCVEGCSA-N 303.322 -0.509 50 20 DBGD C[C@H](NNC(=O)c1ccnc(S(N)(=O)=O)c1)C(F)(F)F 862317478 HBZSDJZAVBNAHA-YFKPBYRVSA-N 312.273 -0.086 50 20 DBGD CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)[C@@H]1CCC(=O)N1 862452022 IQZXMBUBXXSRIL-UWVGGRQHSA-N 310.354 -0.797 50 20 DBGD CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cn[nH]c1 862474903 SRRQIQPNWNKCKZ-SECBINFHSA-N 313.383 -0.181 50 20 DBGD Cn1cnc2cc(C(=O)NNC(=O)CN3CCCC3=O)ccc21 913731780 VUCXVLJKHHPDJV-UHFFFAOYSA-N 315.333 -0.043 50 20 DBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CS(C)(=O)=O 1116637986 IMNOETCSMPAMPJ-JGVFFNPUSA-N 308.356 -0.844 50 20 DBGD Cc1nc([C@H](C)NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)no1 1261104538 UPNSPHGWZLRKKT-WRWORJQWSA-N 317.371 -0.180 50 20 DBGD O=C(NCc1ccn2ccnc2c1)NNC(=O)C(=O)NC1CC1 1319246646 HKMZYXIKPLYSEY-UHFFFAOYSA-N 316.321 -0.557 50 20 DBGD O=C(NNC(=O)[C@@]1(O)CCSC1)c1n[nH]c2c1CCCC2 1319728077 FGUCDMRNSUOWBR-CYBMUJFWSA-N 310.379 -0.083 50 20 DBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1nnc(C)s1 1320203705 VMNCDVDYCPOYCI-SSDOTTSWSA-N 317.371 -0.272 50 20 DBGD CCn1nnnc1-c1cccc(NC(=O)NNC(=O)CCO)c1 1320347894 YJUWHHPGRKOGCS-UHFFFAOYSA-N 319.325 -0.105 50 20 DBGD O=C(CO)NNC(=O)C(=O)Nc1cc(-n2cccc2)ccc1F 1320521384 UFXQLQYCYSWLOT-UHFFFAOYSA-N 320.280 -0.305 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc2c(n1)CCCC2 1321295803 DAFRODCNYUOLLE-UHFFFAOYSA-N 306.322 -0.036 50 20 DBGD Cn1nc([C@H]2CCCOC2)cc1NC(=O)NNC(=O)CCO 1321436746 BJDXCCKUCHJQOL-VIFPVBQESA-N 311.342 -0.151 50 20 DBGD CC(C)CNC(=O)CNC(=O)NNC(=O)[C@@H]1CCCCO1 1328123104 JGOOIFRCJROHSL-JTQLQIEISA-N 300.359 -0.342 50 20 DBGD NC(=O)C1(C(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 1339805292 XJGRXIQUAIJFDH-UHFFFAOYSA-N 301.306 -0.710 50 20 DBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@]1(C)C[C@@H](O)CN1 1579873122 TXRBGZUQFBCGKX-BMIGLBTASA-N 317.349 -0.483 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1 1580547941 LWSUBTVBNAQAJV-YUMQZZPRSA-N 322.287 -0.703 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCOC[C@H]1CC(=O)O 1591111569 PXSJXPAREXCLSV-WDEREUQCSA-N 315.370 -0.256 50 20 DBGD C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)C(=O)O 1599891948 VLUVDTHPKFNNMD-ZCFIWIBFSA-N 304.303 -0.685 50 20 DBGD O=C(O)COCC(=O)NNC(=O)C(F)(F)Oc1ccccc1 1602078142 BBCWBNOIEBAUIT-UHFFFAOYSA-N 318.232 -0.093 50 20 DBGD O=C(O)COCCNC(=O)NNC(=O)Cc1ccsc1 1602080065 VQLXOVCLUJNSEM-UHFFFAOYSA-N 301.324 -0.278 50 20 DBGD Cc1nn[nH]c1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 1606015654 ZVQUBKYFHMJKHK-UHFFFAOYSA-N 313.281 -0.632 50 20 DBGD C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)C(=O)O 1610390370 VLUVDTHPKFNNMD-LURJTMIESA-N 304.303 -0.685 50 20 DBGD O=C(O)COc1ccc(NC(=O)NNC(=O)CO)cc1Cl 1610785796 OSYQSEWLFPGQJK-UHFFFAOYSA-N 317.685 -0.052 50 20 DBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841300976 LVMBGNRZPUQZPU-ILDUYXDCSA-N 316.785 -0.440 50 20 DBGD O=C(c1cc[nH]n1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847556270 GIYIIWNMVHJZBI-DCAQKATOSA-N 312.757 -0.175 50 20 DBGD CN(C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847558796 PMEUSKCROZDPRU-SRVKXCTJSA-N 317.817 -0.260 50 20 DBGD CS(=O)(=O)NCCNC(=O)NNC(=O)c1ccccc1F 45588952 TWBFHBRSQZDVEH-UHFFFAOYSA-N 318.330 -0.681 50 20 DBGD CCC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(C(N)=O)nn1 268247435 NYHNPLZBXRXZJQ-SNVBAGLBSA-N 320.353 -0.190 50 20 DBGD COC(=O)N1CC(NC(=O)NNC(=O)Cc2cccnc2)C1 269278184 JXNULSQVDFZGNS-UHFFFAOYSA-N 307.310 -0.595 50 20 DBGD CC(C)OCCNC(=O)NNC(=O)CNC(=O)c1ccco1 273262913 IOJHAMKSVRZYOY-UHFFFAOYSA-N 312.326 -0.235 50 20 DBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)nc1 273425221 KBOIVPPAKAPHQU-ZCFIWIBFSA-N 319.318 -0.689 50 20 DBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 275524909 WDLQGHHTUCSSHR-UHFFFAOYSA-N 313.339 -0.289 50 20 DBGD CC(C)(O)C(=O)NNC(=O)CCNC(=O)OCC(F)(F)F 276306899 UMYHMLRCYKOGSA-UHFFFAOYSA-N 315.248 -0.417 50 20 DBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)NCC1CC1 276578014 XENBVCIWPGBIJR-UHFFFAOYSA-N 324.362 -0.849 50 20 DBGD O=C(NNC(=O)[C@H]1CCN(CC(F)(F)F)C1)C(=O)NC1CC1 279842009 AIQOCXKDAIZGTH-ZETCQYMHSA-N 322.287 -0.703 50 20 DBGD COCCN(C)CCNC(=O)NNC(=O)c1cccc(C)n1 279898239 LATCVMLHMPWXJQ-UHFFFAOYSA-N 309.370 -0.088 50 20 DBGD CN(C)C(=O)NNC(=O)CCn1nnc2ccccc2c1=O 299394916 SXLWAKBLRJWLBE-UHFFFAOYSA-N 304.310 -0.516 50 20 DBGD NC(=O)NC[C@H]1CCCN(C(=O)c2cc(B(O)O)ccc2F)C1 584931022 WREGLUIOVFVVCW-SECBINFHSA-N 323.133 -0.974 50 20 DBGD Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc(B(O)O)ccc1F 584968306 AHHRXHUUIBUEPB-LBPRGKRZSA-N 318.117 -0.389 50 20 DBGD CC(C)CN1CCN(C(=O)c2cc(B(O)O)ccc2F)CC1=O 584975349 WAQTXTWOWYIAHP-UHFFFAOYSA-N 322.145 -0.554 50 20 DBGD OC[C@H](C[C@@H](O)c1ccccc1)NCc1cccc(B(O)O)c1 585034746 NKSPJZULKLYWJQ-DLBZAZTESA-N 315.178 -0.059 50 20 DBGD C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(C(=O)O)cc1 728435717 GOUFQTWSHRMPLU-QMMMGPOBSA-N 313.335 -0.227 50 20 DBGD O=C(NNc1cnccn1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 775281555 UNXVEPZIZRSUOI-LLVKDONJSA-N 320.334 -0.350 50 20 DBGD COc1ccccc1[C@@](N)(C(=O)NNC(=O)CO)C(F)(F)F 776188751 LEFDNHBMQIEFGV-LLVKDONJSA-N 321.255 -0.449 50 20 DBGD Cc1nc(Cl)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 789735056 JQFMQNVROVVJTL-UHFFFAOYSA-N 313.745 -0.309 50 20 DBGD O=C(CN1CC[C@@H](C(=O)O)C1)NNC(=O)c1ccc(F)cc1 819151753 WTDPKZAKYOSLST-SNVBAGLBSA-N 309.297 -0.007 50 20 DBGD O=C(C[C@@H]1CC(=O)NC1=O)NNCC(F)(F)C(F)(F)F 827488335 OFFIMZPDYABPLI-BYPYZUCNSA-N 303.187 -0.142 50 20 DBGD O=C(COCc1ccccc1)NNC(=O)NC1CN(C(=O)O)C1 831545727 VCEGZWHLODMVCU-UHFFFAOYSA-N 322.321 -0.104 50 20 DBGD CC(=O)NNC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 845072575 JZHGBDPVCUXRCY-JTQLQIEISA-N 302.375 -0.001 50 20 DBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccnc1C(=O)O 850785916 CJBSLCSMEYQNPB-ZETCQYMHSA-N 308.294 -0.088 50 20 DBGD O=C(Cn1cc2ccccc2n1)NNC(=O)[C@H]1CCC(=O)N1 862454199 DDDLOCHCNRANSR-LLVKDONJSA-N 301.306 -0.538 50 20 DBGD O=C(CCCOc1cccnc1)NNC(=O)[C@H]1CCC(=O)N1 862455688 INRWDRXHCGWPHL-LLVKDONJSA-N 306.322 -0.333 50 20 DBGD O=C(COc1cc(F)cc(F)c1)NNC(=O)[C@H]1CCC(=O)N1 862461654 LMRCQZYRCHARSN-SNVBAGLBSA-N 313.260 -0.230 50 20 DBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1OCCN(C)C1=O 908273776 FRYHGGDCOAZRRX-ZDUSSCGKSA-N 321.333 -0.758 50 20 DBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc2c1OCCO2 913731046 RMZOTXIFKKPHBO-UHFFFAOYSA-N 319.317 -0.159 50 20 DBGD O=C(C[C@@H]1CSCCS1)NNC(=O)CN1CCCC1=O 913731266 AXBBBXGEFUHENT-SECBINFHSA-N 317.436 -0.005 50 20 DBGD CN1CCCC[C@H](C(=O)NNC(=O)CN2CCCC2=O)C1=O 913733844 XWLJBRPAWYDGTN-SNVBAGLBSA-N 310.354 -0.985 50 20 DBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)C(C)(C)C)CC1 916433129 ABDNPPLZHMIWTB-UHFFFAOYSA-N 313.402 -0.473 50 20 DBGD NC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)cc1 920669629 YIEOKECTDYUTLM-UHFFFAOYSA-N 302.290 -0.046 50 20 DBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1(OC)CCOCC1 1117068486 KZZMCRROBGZXIA-VIFPVBQESA-N 302.327 -0.329 50 20 DBGD CCNC(=O)NNC(=O)CCc1nc(-c2ncccn2)no1 1318263747 YZSYZDFDBAYFAH-UHFFFAOYSA-N 305.298 -0.191 50 20 DBGD COC(=O)C(=O)NNC(=O)NCc1ccc([S@@](C)=O)cc1 1322417053 JACHZWDMXFRDRZ-OAQYLSRUSA-N 313.335 -0.573 50 20 DBGD Cn1cncc1[C@@H]1C[C@H]1C(=O)NNC(=O)CN1CCCC1=O 1339724950 ZDTDVHHWLPEEFA-NXEZZACHSA-N 305.338 -0.707 50 20 DBGD C[C@@H]1CN2CCN1C[C@@H]2C(=O)NNC(=O)Cc1ccccc1F 1346470920 GSTNVRQUBBLGCJ-BXUZGUMPSA-N 320.368 -0.096 50 20 DBGD O=C(NNC(=O)c1ncccn1)c1csc(-c2nn[nH]n2)c1 1582561527 JKLLRAVIRSWSNA-UHFFFAOYSA-N 316.306 -0.207 50 20 DBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1591111438 NKXJUVLTSFSBRZ-AXFHLTTASA-N 315.370 -0.664 50 20 DBGD COC(=O)N1CCC([C@H](C)NC(=O)NNC(=O)C(=O)O)CC1 1606490695 SWITVUJGACCFPH-ZETCQYMHSA-N 316.314 -0.732 50 20 DBGD